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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204796

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-1204796
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Ce', 'Si', 'As']
  • Chemical System: As-Ce-Si
  • Density: 5.713124953385861
  • Atomic Density: 0.04377632720750839
  • Unit Cell Volume: 913.73586026055
  • Molar Volume: 13.756614919871806
  • Full Formula: Ce8 Si8 As24
  • Reduced Formula: CeSiAs3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -226.39318866
  • Final energy per atom: -5.6598297165
  • 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.