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  1. Third-Parties
  2. MatprojStructure
  3. mp-769265

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-769265
  • 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: 58
  • Number of elements: 5
  • Element list: ['Na', 'Bi', 'As', 'C', 'O']
  • Chemical System: As-Bi-C-Na-O
  • Density: 3.934339717625775
  • Atomic Density: 0.0734982276863875
  • Unit Cell Volume: 789.1346747500157
  • Molar Volume: 8.193586361967952
  • Full Formula: Na12 Bi4 As2 C8 O32
  • Reduced Formula: Na6Bi2As(CO4)4
  • Formula Anonymous: AB2C4D6E16
  • Spacegroup Number: 203
  • Spacegroup Symbol: Fd-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -381.0822459
  • Final energy per atom: -6.57038355
  • 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.