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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204289

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-1204289
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['Cs', 'Bi', 'As', 'Se']
  • Chemical System: As-Bi-Cs-Se
  • Density: 4.273373868254917
  • Atomic Density: 0.025428245055909623
  • Unit Cell Volume: 4719.161693469347
  • Molar Volume: 23.682879989393648
  • Full Formula: Cs32 Bi8 As24 Se56
  • Reduced Formula: Cs4BiAs3Se7
  • Formula Anonymous: AB3C4D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -478.12279687
  • Final energy per atom: -3.9843566405833335
  • 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.