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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204347

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-1204347
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 184
  • Number of elements: 4
  • Element list: ['Cs', 'Mo', 'As', 'O']
  • Chemical System: As-Cs-Mo-O
  • Density: 4.0515043683472225
  • Atomic Density: 0.04982069476166446
  • Unit Cell Volume: 3693.244361208357
  • Molar Volume: 12.08762902406142
  • Full Formula: Cs28 Mo32 As4 O120
  • Reduced Formula: Cs7Mo8AsO30
  • Formula Anonymous: AB7C8D30
  • Spacegroup Number: 73
  • Spacegroup Symbol: Ibca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1371.48708965
  • Final energy per atom: -7.453734182880434
  • 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.