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  1. Third-Parties
  2. MatprojStructure
  3. mp-776697

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-776697
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Na', 'Bi', 'As', 'C', 'O']
  • Chemical System: As-Bi-C-Na-O
  • Density: 3.7151048247275953
  • Atomic Density: 0.06869889050771268
  • Unit Cell Volume: 815.1514469322179
  • Molar Volume: 8.765994203827656
  • Full Formula: Na10 Bi4 As2 C8 O32
  • Reduced Formula: Na5Bi2As(CO4)4
  • Formula Anonymous: AB2C4D5E16
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -374.66107352
  • Final energy per atom: -6.6903763128571425
  • 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.