{% extends "base_site.html" %} {% load static %} {% load i18n %} {% block extrastyle %} {% endblock %} {% block extrascript %} {% endblock %} {% block content %}

{{ structure.composition.html|safe}}

Entry: {{ structure.entry_id }}
Spacegroup: {{structure.spacegroup_id}}
Download POSCAR
Download KPOINTS file

Lattice parameters

{{ lpstr |safe }}

Atomic coordinates

{% if structure.magmom %} {% endif %} {% for atom in structure.sites %} {% if structure.magmom %} {% endif %} {% endfor %}
Element x y z oxidation state Site occupancymagnetic moment
{{atom.label}} {{atom.x |floatformat:-3 }} {{atom.y |floatformat:-3 }} {{atom.z |floatformat:-3 }} {{atom.ox | floatformat:-2}} {{atom.occupancy}}{{atom.magmom | floatformat:-2}}
{% endblock %} {% block sidebar %} {% endblock %}