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-20606
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: 40
Number of elements: 3
Element list: ['Tb', 'In', 'S']
Chemical System: In-S-Tb
Density: 5.1752404444240305
Atomic Density: 0.04341742372214486
Unit Cell Volume: 921.289117843217
Molar Volume: 13.870331870770203
Full Formula: Tb6 In10 S24
Reduced Formula: Tb3In5S12
Formula Anonymous: A3B5C12
Spacegroup Number: 11
Spacegroup Symbol: P12_1/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -210.95926921
Final energy per atom: -5.27398173025
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.