Index

_

__init__() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method) (matminer.data_retrieval.retrieve_MP.MPDataRetrieval method) (matminer.data_retrieval.retrieve_MongoDB.MongoDataRetrieval method) (matminer.featurizers.composition.ElectronAffinity method) (matminer.featurizers.composition.ElectronegativityDiff method) (matminer.featurizers.composition.ElementFraction method) (matminer.featurizers.composition.ElementProperty method) (matminer.featurizers.composition.FERECorrection method) (matminer.featurizers.composition.IonProperty method) (matminer.featurizers.composition.Stoichiometry method) (matminer.featurizers.composition.TMetalFraction method) (matminer.featurizers.composition.ValenceOrbital method) (matminer.figrecipes.matplotlib.plots.HeatMapPlot method) (matminer.figrecipes.matplotlib.plots.XYPlot method) (matminer.figrecipes.plotly.make_plots.PlotlyFig method) (matminer.learners.volume_predictor.ConditionalVolumePredictor method) (matminer.learners.volume_predictor.VolumePredictor method) (matminer.models.mechanical_properties.BulkModulus method) (matminer.models.mechanical_properties.Lames1stParam method) (matminer.models.mechanical_properties.PWaveModulus method) (matminer.models.mechanical_properties.ShearModulus method) (matminer.models.mechanical_properties.YM method) (matminer.models.mechanical_properties.YoungsModulus method) (matminer.models.sound_velocity.SoundVelocityModel method) (matminer.models.thermal_conductivity.CahillSimpleModel method)

A

absolute_band_positions_bpe() (in module matminer.featurizers.bandstructure)

AbstractData (class in matminer.featurizers.data) avg_dev() (matminer.featurizers.stats.PropertyStats static method)

B

BandCenter (class in matminer.featurizers.composition) bar_chart() (matminer.figrecipes.plotly.make_plots.PlotlyFig method) BaseFeaturizer (class in matminer.featurizers.base) branch_point_energy() (in module matminer.featurizers.bandstructure)

brittleness_index() (in module matminer.models.mechanical_properties) bulk_modulus() (in module matminer.models.mechanical_properties) BulkModulus (class in matminer.models.mechanical_properties) bulkmodulus_coordination() (in module matminer.models.mechanical_properties)

C

cahill_integrand() (in module matminer.models.thermal_conductivity) cahill_integrand_model() (in module matminer.models.thermal_conductivity) cahill_integrand_summation() (in module matminer.models.thermal_conductivity) CahillSimpleModel (class in matminer.models.thermal_conductivity) calc_stat() (matminer.featurizers.stats.PropertyStats static method) calculate() (matminer.models.mechanical_properties.BulkModulus method) (matminer.models.mechanical_properties.Lames1stParam method) (matminer.models.mechanical_properties.PWaveModulus method) (matminer.models.mechanical_properties.ShearModulus method) (matminer.models.mechanical_properties.YM method) (matminer.models.mechanical_properties.YoungsModulus method) (matminer.models.thermal_conductivity.CahillSimpleModel method) callaway_integrand() (in module matminer.models.thermal_conductivity) callaway_model() (in module matminer.models.thermal_conductivity) citation() (matminer.models.sound_velocity.SoundVelocityModel method) citations() (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.composition.ElectronAffinity method) (matminer.featurizers.composition.ElectronegativityDiff method) (matminer.featurizers.composition.ElementProperty method) (matminer.featurizers.composition.FERECorrection method) (matminer.featurizers.composition.IonProperty method) (matminer.featurizers.composition.Stoichiometry method) (matminer.featurizers.composition.TMetalFraction method) (matminer.featurizers.composition.ValenceOrbital method)

CitrineDataRetrieval (class in matminer.data_retrieval.retrieve_Citrine) clarke_model() (in module matminer.models.thermal_conductivity) clean_projection() (in module matminer.data_retrieval.retrieve_MongoDB) CohesiveEnergy (class in matminer.featurizers.composition) compute() (matminer.models.sound_velocity.SoundVelocityModel method) ConditionalVolumePredictor (class in matminer.learners.volume_predictor) ConditionalVolumePredictorTest (class in matminer.learners.tests.test_volume_predictor) create_plot() (matminer.figrecipes.plotly.make_plots.PlotlyFig method) critical_fracture_toughness() (in module matminer.models.mechanical_properties) critical_stress() (in module matminer.models.mechanical_properties)

D

debye_model() (in module matminer.models.thermal_conductivity)

E

effective_cubic_elasticconstant() (in module matminer.models.sound_velocity) ElectronAffinity (class in matminer.featurizers.composition) ElectronegativityDiff (class in matminer.featurizers.composition) ElementFraction (class in matminer.featurizers.composition) ElementProperty (class in matminer.featurizers.composition)

equation() (matminer.models.mechanical_properties.BulkModulus method) (matminer.models.mechanical_properties.Lames1stParam method) (matminer.models.mechanical_properties.PWaveModulus method) (matminer.models.mechanical_properties.ShearModulus method) (matminer.models.mechanical_properties.YM method) (matminer.models.mechanical_properties.YoungsModulus method)

F

feature_labels() (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.composition.BandCenter method) (matminer.featurizers.composition.CohesiveEnergy method) (matminer.featurizers.composition.ElectronAffinity method) (matminer.featurizers.composition.ElectronegativityDiff method) (matminer.featurizers.composition.ElementFraction method) (matminer.featurizers.composition.ElementProperty method) (matminer.featurizers.composition.FERECorrection method) (matminer.featurizers.composition.IonProperty method) (matminer.featurizers.composition.Stoichiometry method) (matminer.featurizers.composition.TMetalFraction method) (matminer.featurizers.composition.ValenceOrbital method) featurize() (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.composition.BandCenter method) (matminer.featurizers.composition.CohesiveEnergy method) (matminer.featurizers.composition.ElectronAffinity method) (matminer.featurizers.composition.ElectronegativityDiff method) (matminer.featurizers.composition.ElementFraction method) (matminer.featurizers.composition.ElementProperty method) (matminer.featurizers.composition.FERECorrection method) (matminer.featurizers.composition.IonProperty method) (matminer.featurizers.composition.Stoichiometry method) (matminer.featurizers.composition.TMetalFraction method) (matminer.featurizers.composition.ValenceOrbital method)

featurize_dataframe() (matminer.featurizers.base.BaseFeaturizer method) FERECorrection (class in matminer.featurizers.composition) flattenDict() (in module matminer.utils) fracture_toughness() (in module matminer.models.mechanical_properties)

G

get_composition_oxidation_state() (matminer.featurizers.data.PymatgenData static method) get_coulomb_matrix() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_dataframe() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method) (matminer.data_retrieval.retrieve_MP.MPDataRetrieval method) (matminer.data_retrieval.retrieve_MongoDB.MongoDataRetrieval method) get_density() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_min_relative_distances() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_neighbors_of_site_with_index() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_okeeffe_distance_prediction() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_okeeffe_params() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_order_parameter_feature_vectors_difference() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_order_parameter_stats() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure)

get_order_parameters() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_packing_fraction() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_prdf() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_predicted_structure() (matminer.learners.volume_predictor.ConditionalVolumePredictor method) (matminer.learners.volume_predictor.VolumePredictor method) get_property() (matminer.featurizers.data.AbstractData method) (matminer.featurizers.data.PymatgenData method) get_rdf() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_rdf_peaks() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_redf() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) get_value() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method) get_vol_per_site() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure)

H

heatmap_ex1() (in module matminer.figrecipes.matplotlib.examples.heatmap_examples) heatmap_plot() (matminer.figrecipes.plotly.make_plots.PlotlyFig method)

HeatMapPlot (class in matminer.figrecipes.matplotlib.plots) histogram() (matminer.figrecipes.plotly.make_plots.PlotlyFig method) holder_mean() (matminer.featurizers.stats.PropertyStats static method)

I

implementors() (matminer.featurizers.base.BaseFeaturizer method) (matminer.featurizers.composition.BandCenter method) (matminer.featurizers.composition.CohesiveEnergy method) (matminer.featurizers.composition.ElectronAffinity method) (matminer.featurizers.composition.ElectronegativityDiff method) (matminer.featurizers.composition.ElementFraction method) (matminer.featurizers.composition.ElementProperty method) (matminer.featurizers.composition.FERECorrection method) (matminer.featurizers.composition.IonProperty method) (matminer.featurizers.composition.Stoichiometry method) (matminer.featurizers.composition.TMetalFraction method) (matminer.featurizers.composition.ValenceOrbital method)

IonProperty (class in matminer.featurizers.composition) is_int() (in module matminer.data_retrieval.retrieve_MongoDB) is_ox() (in module matminer.learners.volume_predictor)

K

keyes_model() (in module matminer.models.thermal_conductivity)

L

Lames1stParam (class in matminer.models.mechanical_properties)

M

matminer (module) matminer.data_retrieval (module) matminer.data_retrieval.retrieve_Citrine (module) matminer.data_retrieval.retrieve_MongoDB (module) matminer.data_retrieval.retrieve_MP (module) matminer.descriptors (module) matminer.descriptors.structure_features (module) matminer.featurizers (module) matminer.featurizers.bandstructure (module) matminer.featurizers.base (module) matminer.featurizers.composition (module) matminer.featurizers.data (module) matminer.featurizers.data_files (module) matminer.featurizers.data_files.deml_elementdata (module) matminer.featurizers.stats (module) matminer.featurizers.structure (module) matminer.figrecipes (module) matminer.figrecipes.matplotlib (module) matminer.figrecipes.matplotlib.examples (module) matminer.figrecipes.matplotlib.examples.heatmap_examples (module)

matminer.figrecipes.matplotlib.examples.xyscatter_examples (module) matminer.figrecipes.matplotlib.plots (module) matminer.figrecipes.plotly (module) matminer.figrecipes.plotly.make_plots (module) matminer.learners (module) matminer.learners.tests (module) matminer.learners.tests.test_volume_predictor (module) matminer.learners.volume_predictor (module) matminer.models (module) matminer.models.mechanical_properties (module) matminer.models.sound_velocity (module) matminer.models.thermal_conductivity (module) matminer.utils (module) max_allowed_heatflow() (in module matminer.models.mechanical_properties) maximum() (matminer.featurizers.stats.PropertyStats static method) mean() (matminer.featurizers.stats.PropertyStats static method) minimum() (matminer.featurizers.stats.PropertyStats static method) mode() (matminer.featurizers.stats.PropertyStats static method) MongoDataRetrieval (class in matminer.data_retrieval.retrieve_MongoDB) MPDataRetrieval (class in matminer.data_retrieval.retrieve_MP)

P

parse_matrix() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method) parse_scalars() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method) parse_vectors() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method) plot() (matminer.figrecipes.matplotlib.plots.HeatMapPlot method) (matminer.figrecipes.matplotlib.plots.XYPlot method) PlotlyFig (class in matminer.figrecipes.plotly.make_plots) predict() (matminer.learners.volume_predictor.ConditionalVolumePredictor method) (matminer.learners.volume_predictor.VolumePredictor method)

properties_involved() (matminer.models.mechanical_properties.BulkModulus method) (matminer.models.mechanical_properties.Lames1stParam method) (matminer.models.mechanical_properties.PWaveModulus method) (matminer.models.mechanical_properties.ShearModulus method) (matminer.models.mechanical_properties.YoungsModulus method) PropertyStats (class in matminer.featurizers.stats) PWaveModulus (class in matminer.models.mechanical_properties) PymatgenData (class in matminer.featurizers.data)

R

range() (matminer.featurizers.stats.PropertyStats static method)

remove_ints() (in module matminer.data_retrieval.retrieve_MongoDB)

S

scatter_matrix() (matminer.figrecipes.plotly.make_plots.PlotlyFig method) shear_modulus() (in module matminer.models.mechanical_properties) ShearModulus (class in matminer.models.mechanical_properties) site_is_of_motif_type() (in module matminer.descriptors.structure_features) (in module matminer.featurizers.structure) slack_integrand() (in module matminer.models.thermal_conductivity) slack_integrand_model() (in module matminer.models.thermal_conductivity)

slack_simple_model() (in module matminer.models.thermal_conductivity) sound_velocity() (in module matminer.models.sound_velocity) SoundVelocityModel (class in matminer.models.sound_velocity) std_dev() (matminer.featurizers.stats.PropertyStats static method) steadystate_heatflow() (in module matminer.models.mechanical_properties) Stoichiometry (class in matminer.featurizers.composition) strain_energy_releaserate() (in module matminer.models.mechanical_properties) stress_from_tempgradient() (in module matminer.models.mechanical_properties)

T

test_CsCl() (matminer.learners.tests.test_volume_predictor.VolumePredictorTest method) test_CsCl_ionic() (matminer.learners.tests.test_volume_predictor.VolumePredictorTest method) test_predict() (matminer.learners.tests.test_volume_predictor.ConditionalVolumePredictorTest method)

test_Si() (matminer.learners.tests.test_volume_predictor.VolumePredictorTest method) thermal_shock() (in module matminer.models.mechanical_properties) thermal_stress() (in module matminer.models.mechanical_properties) TMetalFraction (class in matminer.featurizers.composition)

V

ValenceOrbital (class in matminer.featurizers.composition) vickers_hardness1() (in module matminer.models.mechanical_properties) vickers_hardness2() (in module matminer.models.mechanical_properties)

violin_plot() (matminer.figrecipes.plotly.make_plots.PlotlyFig method) VolumePredictor (class in matminer.learners.volume_predictor) VolumePredictorTest (class in matminer.learners.tests.test_volume_predictor)

X

xy_plot() (matminer.figrecipes.plotly.make_plots.PlotlyFig method)

XYPlot (class in matminer.figrecipes.matplotlib.plots) xyscatter_ex1() (in module matminer.figrecipes.matplotlib.examples.xyscatter_examples)

Y

YM (class in matminer.models.mechanical_properties)

YoungsModulus (class in matminer.models.mechanical_properties)