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  1. Third-Parties
  2. MatprojStructure
  3. mp-555231

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-555231
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Ba', 'Bi', 'P', 'O']
  • Chemical System: Ba-Bi-O-P
  • Density: 5.217240178069105
  • Atomic Density: 0.06492446502973236
  • Unit Cell Volume: 770.1257141988362
  • Molar Volume: 9.275610907601845
  • Full Formula: Ba6 Bi4 P8 O32
  • Reduced Formula: Ba3Bi2(PO4)4
  • Formula Anonymous: A2B3C4D16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -373.27358148
  • Final energy per atom: -7.4654716296000005
  • 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.