Simmate

Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Due to limited resources, our website only includes a small number of features compared to the many available in the command-line and python. We highly recommend installing Simmate for local use, rather than just relying on the website.

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-770831
Created at: Sept. 4, 2022, 2:48 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 52
Number of elements: 5
Element list: ['Na', 'Co', 'B', 'S', 'O']
Chemical System: B-Co-Na-O-S
Density: 2.885853236342268
Atomic Density: 0.07989664726759883
Unit Cell Volume: 650.8408272231469
Molar Volume: 7.537413603639674
Full Formula: Na12 Co4 B4 S4 O28
Reduced Formula: Na3CoBSO7
Formula Anonymous: ABCD3E7
Spacegroup Number: 11
Spacegroup Symbol: P12_1/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -336.09566199
Final energy per atom: -6.463378115192308
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.