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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190952

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-1190952
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Tb', 'P', 'S']
  • Chemical System: P-S-Tb
  • Density: 6.091710650426071
  • Atomic Density: 0.0495825275827489
  • Unit Cell Volume: 484.04147932850134
  • Molar Volume: 12.145691342478605
  • Full Formula: Tb8 P8 S8
  • Reduced Formula: TbPS
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -155.1528636
  • Final energy per atom: -6.4647026499999996
  • 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.