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  1. Third-Parties
  2. MatprojStructure
  3. mp-557115

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-557115
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Cs', 'As', 'O', 'F']
  • Chemical System: As-Cs-F-O
  • Density: 3.6556470813151667
  • Atomic Density: 0.05312136099979763
  • Unit Cell Volume: 564.7445666935056
  • Molar Volume: 11.336570913578328
  • Full Formula: Cs4 As4 O2 F20
  • Reduced Formula: Cs2As2OF10
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -150.81268981
  • Final energy per atom: -5.027089660333333
  • 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.