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  1. Third-Parties
  2. MatprojStructure
  3. mp-780395

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-780395
  • 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: 84
  • Number of elements: 3
  • Element list: ['Cd', 'B', 'O']
  • Chemical System: B-Cd-O
  • Density: 4.731314500129888
  • Atomic Density: 0.10071599710661067
  • Unit Cell Volume: 834.0283809242704
  • Molar Volume: 5.979328937810542
  • Full Formula: Cd12 B24 O48
  • Reduced Formula: Cd(BO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -614.35212538
  • Final energy per atom: -7.313715778333333
  • 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.