{% extends "base_site.html" %} {% load static %} {% block title %}{{ entry.name }}{% endblock %} {% block extrascript %} {% endblock %} {% block extrastyle %} {% endblock %} {% block content_title %}

{{ entry.composition.html|safe}} {% if not entry.energy == None %}: ΔHf = {{ entry.energy | floatformat:-3 }} eV/atom{% endif %}

{% endblock %} {% if warning %} {% block notice %} {{ warning }} {% endblock %} {% endif %} {% block content %}

Database Information

Calculation History

{% for calc in entry.calculation_set.all %} {% endfor %}
Configuration Total energy [eV/atom] Band gap [eV] Volume [Å3/atom] # of ionic steps Converged
{{ calc.label }} {{calc.energy_pa | floatformat:-3}} {{calc.band_gap | floatformat:-1}} {{calc.output.volume_pa | floatformat:-3}} {{calc.nsteps}} {{calc.converged}}
{% if entry.reference %}

Original Reference

{{ entry.reference.citation }}
(Authors: {% for auth in entry.reference.authors %} {{auth.name}} {% endfor %})
(Journal: {{entry.reference.journal.name}}
{% endif %} {% endblock %} {% block sidebar %} {% endblock %}