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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199053

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-1199053
  • 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: 40
  • Number of elements: 3
  • Element list: ['La', 'Tm', 'S']
  • Chemical System: La-S-Tm
  • Density: 5.717578374077738
  • Atomic Density: 0.04261028012116071
  • Unit Cell Volume: 938.7406017107028
  • Molar Volume: 14.133070101572374
  • Full Formula: La8 Tm8 S24
  • Reduced Formula: LaTmS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -273.51946961
  • Final energy per atom: -6.83798674025
  • 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.