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  1. Third-Parties
  2. MatprojStructure
  3. mp-554108

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-554108
  • 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: 16
  • Number of elements: 4
  • Element list: ['Li', 'Re', 'O', 'F']
  • Chemical System: F-Li-O-Re
  • Density: 4.712754945381044
  • Atomic Density: 0.07539572226628385
  • Unit Cell Volume: 212.2136312122714
  • Molar Volume: 7.987377239693923
  • Full Formula: Li2 Re2 O4 F8
  • Reduced Formula: LiRe(OF2)2
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -105.62907677
  • Final energy per atom: -6.601817298125
  • 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.