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  1. Third-Parties
  2. MatprojStructure
  3. mp-3589

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-3589
  • 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: 6
  • Number of elements: 3
  • Element list: ['B', 'P', 'O']
  • Chemical System: B-O-P
  • Density: 2.6535315382148594
  • Atomic Density: 0.09063859118452013
  • Unit Cell Volume: 66.1969688803451
  • Molar Volume: 6.644124408046297
  • Full Formula: B1 P1 O4
  • Reduced Formula: BPO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -48.47240459
  • Final energy per atom: -8.078734098333333
  • 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.