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-1210793
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 42
Number of elements: 3
Element list: ['Sm', 'In', 'Ge']
Chemical System: Ge-In-Sm
Density: 7.57707271849333
Atomic Density: 0.036387331188896054
Unit Cell Volume: 1154.2478831977846
Molar Volume: 16.55010291559309
Full Formula: Sm22 In12 Ge8
Reduced Formula: Sm11(In3Ge2)2
Formula Anonymous: A4B6C11
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -201.10981735
Final energy per atom: -4.788328984523809
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.