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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234254

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-1234254
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Mg', 'Bi', 'As', 'O']
  • Chemical System: As-Bi-Mg-O
  • Density: 8.262772349670982
  • Atomic Density: 0.0578010784066849
  • Unit Cell Volume: 588.2243192899975
  • Molar Volume: 10.418734262410435
  • Full Formula: Mg1 Bi12 As1 O20
  • Reduced Formula: MgBi12AsO20
  • Formula Anonymous: ABC12D20
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -205.96925157
  • Final energy per atom: -6.05791916382353
  • 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.