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  1. Third-Parties
  2. MatprojStructure
  3. mp-769047

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-769047
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Na', 'Bi', 'As', 'C', 'O']
  • Chemical System: As-Bi-C-Na-O
  • Density: 3.5698467850664266
  • Atomic Density: 0.06530158306753328
  • Unit Cell Volume: 826.9324794799314
  • Molar Volume: 9.222044056377701
  • Full Formula: Na8 Bi4 As2 C8 O32
  • Reduced Formula: Na4Bi2As(CO4)4
  • Formula Anonymous: AB2C4D4E16
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -364.93232969
  • Final energy per atom: -6.758006105370371
  • 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.