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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217729

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-1217729
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['U', 'Ni', 'O', 'F']
  • Chemical System: F-Ni-O-U
  • Density: 3.758036367962522
  • Atomic Density: 0.06126297320027097
  • Unit Cell Volume: 881.4459563278452
  • Molar Volume: 9.82998448396129
  • Full Formula: U4 Ni4 O22 F24
  • Reduced Formula: U2Ni2O11F12
  • Formula Anonymous: A2B2C11D12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -311.56554984
  • Final energy per atom: -5.7697324044444445
  • 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.