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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205292

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-1205292
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 94
  • Number of elements: 4
  • Element list: ['U', 'Ni', 'O', 'F']
  • Chemical System: F-Ni-O-U
  • Density: 3.7861879440576836
  • Atomic Density: 0.059201740151327675
  • Unit Cell Volume: 1587.791165592823
  • Molar Volume: 10.172236060302605
  • Full Formula: U8 Ni6 O52 F28
  • Reduced Formula: U4Ni3(O13F7)2
  • Formula Anonymous: A3B4C14D26
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -559.03267999
  • Final energy per atom: -5.947156170106383
  • 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.