{% extends "base_site.html" %} {% load static %} {% load i18n %} {% block title %} {% if search %} {{search}} {% else %} OQMD | Search Phases {% endif %} {% endblock %} {% block extrastyle %} {% endblock %} {% block extrascript %} {% if phase_comp %} {% endif %} {% if pd3d %} {% else %} {% endif %} {% endblock %} {% block content_title %} {% if gs %}
Stable Phase
Ground State Phase: {{ composition.ground_state.html |safe}}
ΔH: {{delta_h | floatformat:-3}} eV/atom
Decomposition Energy: {{ decomp_en | floatformat:-3}} eV/atom
Competing Phases: {{ phase_links |safeseq |join:" + " }}
{% elif phase_type == 'unstable' %}Entry Link: {{ composition.ground_state.html |safe}}
ΔH: {{delta_h | floatformat:-3}} eV/atom
Hull Distance: {{ hull_dis | floatformat:-3}} eV/atom
Decompose Into: {{ phase_links |safeseq |join:" + " }}
{% elif phase_type == 'nophase' %}No Calculated Phase
ΔH: {{delta_h | floatformat:-3}} eV/atom
Decompose Into: {{ phase_links |safeseq |join:" + " }}
{% endif %} {% endif %} {% if composition.experiment %}Experimental formation energy: {{ composition.experiment | floatformat:-3 }} eV/atom
{% endif %} {% endblock %} {% block content %} {% if gs %}ID | Composition | Spacegroup | Formation Energy [eV/atom] | Stability [eV/atom] | Prototype | # of atoms | Projects | Finish Time | Reference | |
---|---|---|---|---|---|---|---|---|---|---|
{{ fe.entry.id }} | {{ fe.entry.html | safe }} | {{ fe.calculation.output.spacegroup.symbol }} | {{ fe.delta_e |floatformat:-3 }} | {% if fe.stability < 0 %}{{ 0 }} | {% else %}{{ fe.stability |floatformat:-3 }} | {% endif %}{{ fe.entry.prototype.name }} | {{ fe.calculation.output.natoms }} | {{ pro }} | {{ ftime |date:"M Y" }} | {{ fe.entry.reference.citation }} |
ID | Composition | Spacegroup | Prototype | # of atoms | Projects | Create Time | Reference |
---|---|---|---|---|---|---|---|
{{ entry.id }} | {{ entry.html | safe }} | {{ entry.input.spacegroup.symbol }} | {{ entry.prototype.name }} | {{ entry.input.natoms }} | {{ pro }} | {{ ctime |date:"M Y" }} | {{ entry.reference.citation }} |