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  1. Third-Parties
  2. MatprojStructure
  3. mp-632402

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-632402
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'U', 'F']
  • Chemical System: Ca-F-Li-U
  • Density: 4.688018426823535
  • Atomic Density: 0.07105858320769205
  • Unit Cell Volume: 154.8018480448574
  • Molar Volume: 8.474895625766019
  • Full Formula: Li1 Ca1 U1 F8
  • Reduced Formula: LiCaUF8
  • Formula Anonymous: ABCD8
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -72.50246074
  • Final energy per atom: -6.591132794545455
  • 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.