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  1. Third-Parties
  2. MatprojStructure
  3. mp-767754

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-767754
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Na', 'Bi', 'P', 'C', 'O']
  • Chemical System: Bi-C-Na-O-P
  • Density: 3.6107874829152684
  • Atomic Density: 0.07015083795625836
  • Unit Cell Volume: 798.2798442823744
  • Molar Volume: 8.584559978820248
  • Full Formula: Na10 Bi4 P2 C8 O32
  • Reduced Formula: Na5Bi2P(CO4)4
  • Formula Anonymous: AB2C4D5E16
  • Spacegroup Number: 22
  • Spacegroup Symbol: F222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -384.14355906
  • Final energy per atom: -6.859706411785714
  • 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.