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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200474

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-1200474
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 224
  • Number of elements: 4
  • Element list: ['B', 'P', 'H', 'O']
  • Chemical System: B-H-O-P
  • Density: 1.7045867323454913
  • Atomic Density: 0.06148802128096543
  • Unit Cell Volume: 3642.9859887090347
  • Molar Volume: 9.794006433354275
  • Full Formula: B16 P64 H48 O96
  • Reduced Formula: BP4(HO2)3
  • Formula Anonymous: AB3C4D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1423.06744884
  • Final energy per atom: -6.352979682321428
  • 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.