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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192557

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-1192557
  • 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: 30
  • Number of elements: 4
  • Element list: ['Ba', 'Li', 'Cd', 'As']
  • Chemical System: As-Ba-Cd-Li
  • Density: 5.3615520149865805
  • Atomic Density: 0.03587683849507257
  • Unit Cell Volume: 836.1940811512778
  • Molar Volume: 16.785594864572857
  • Full Formula: Ba8 Li4 Cd6 As12
  • Reduced Formula: Ba4Li2(CdAs2)3
  • Formula Anonymous: A2B3C4D6
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -109.20469214
  • Final energy per atom: -3.640156404666667
  • 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.