{% 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 %}

Composition: {{ composition.html |safe }}

{% if phase_type == 'stable' %}

 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 %}
This composition appears in the {{ space }} region of phase space. It's relative stability is shown in the {{ space }} phase diagram (left). The relative stability of all other phases at this composition (and the combination of other stable phases, if no compound at this composition is stable) is shown in the relative stability plot (right).
{% if pd3d %}
{% else %}
{% endif %}
{% endif %} {% if results %}

Compounds at this composition

{% for fe, pro, ftime in results_project %} {% if fe.stability < 0 %} {% else %} {% endif %} {% endfor %}
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 }}{{ 0 }}{{ fe.stability |floatformat:-3 }}{{ fe.entry.prototype.name }} {{ fe.calculation.output.natoms }} {{ pro }} {{ ftime |date:"M Y" }} {{ fe.entry.reference.citation }}
{% endif %} {% if running %}

Compounds not completed at this composition

(running, failed, held)

{% for entry, pro, ctime in running %} {% endfor %}
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 }}
{% endif %} {% endblock %} {% block sidebar %} {% endblock %}