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  1. Third-Parties
  2. MatprojStructure
  3. mp-573658

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-573658
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Cs', 'B', 'As']
  • Chemical System: As-B-Cs
  • Density: 3.7880993968644683
  • Atomic Density: 0.024469433604839743
  • Unit Cell Volume: 490.40775498892435
  • Molar Volume: 24.610871086157456
  • Full Formula: Cs6 B2 As4
  • Reduced Formula: Cs3BAs2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -41.54133455
  • Final energy per atom: -3.4617778791666667
  • 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.