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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196490

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-1196490
  • 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: 92
  • Number of elements: 4
  • Element list: ['La', 'Cd', 'In', 'S']
  • Chemical System: Cd-In-La-S
  • Density: 5.16336701863756
  • Atomic Density: 0.04329804024379438
  • Unit Cell Volume: 2124.8074850959506
  • Molar Volume: 13.908575829510234
  • Full Formula: La16 Cd16 In8 S52
  • Reduced Formula: La4Cd4In2S13
  • Formula Anonymous: A2B4C4D13
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -471.86357821
  • Final energy per atom: -5.128951937065217
  • 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.