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  1. Third-Parties
  2. MatprojStructure
  3. mp-578723

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-578723
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['U', 'Ni', 'B', 'O']
  • Chemical System: B-Ni-O-U
  • Density: 5.7501989909000235
  • Atomic Density: 0.1022656596218319
  • Unit Cell Volume: 547.5933975010023
  • Molar Volume: 5.888722355352979
  • Full Formula: U2 Ni14 B8 O32
  • Reduced Formula: UNi7(BO4)4
  • Formula Anonymous: AB4C7D16
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -436.09869597
  • Final energy per atom: -7.78747671375
  • 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.