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  1. Third-Parties
  2. MatprojStructure
  3. mp-9113

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-9113
  • 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: 28
  • Number of elements: 4
  • Element list: ['Cs', 'Be', 'As', 'O']
  • Chemical System: As-Be-Cs-O
  • Density: 4.153030666176537
  • Atomic Density: 0.06233902597300381
  • Unit Cell Volume: 449.15684136812666
  • Molar Volume: 9.660306150128033
  • Full Formula: Cs4 Be4 As4 O16
  • Reduced Formula: CsBeAsO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -180.61458263
  • Final energy per atom: -6.450520808214286
  • 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.