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  1. Third-Parties
  2. MatprojStructure
  3. mp-740732

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-740732
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 5
  • Element list: ['U', 'P', 'H', 'Br', 'O']
  • Chemical System: Br-H-O-P-U
  • Density: 3.0604292444808388
  • Atomic Density: 0.07722271526834301
  • Unit Cell Volume: 1191.3592999198106
  • Molar Volume: 7.798405869404518
  • Full Formula: U4 P12 H40 Br4 O32
  • Reduced Formula: UP3H10BrO8
  • Formula Anonymous: ABC3D8E10
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -551.10730983
  • Final energy per atom: -5.990296845978261
  • 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.