Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1202576

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-1202576
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Tb', 'Ga', 'Sb', 'S']
  • Chemical System: Ga-S-Sb-Tb
  • Density: 5.5429422513449325
  • Atomic Density: 0.04487537273430249
  • Unit Cell Volume: 1337.036248261317
  • Molar Volume: 13.419700813753261
  • Full Formula: Tb16 Ga4 Sb4 S36
  • Reduced Formula: Tb4GaSbS9
  • Formula Anonymous: ABC4D9
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -362.36472082
  • Final energy per atom: -6.0394120136666665
  • 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.