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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227756

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-1227756
  • 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: 22
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Ge', 'S', 'Cl']
  • Chemical System: Ca-Cl-Ge-La-S
  • Density: 3.298960841593653
  • Atomic Density: 0.04152125645490787
  • Unit Cell Volume: 529.8490912453968
  • Molar Volume: 14.503753677444832
  • Full Formula: Ca4 La2 Ge2 S8 Cl6
  • Reduced Formula: Ca2LaGeS4Cl3
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -117.90892981
  • Final energy per atom: -5.359496809545455
  • 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.