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  1. Third-Parties
  2. MatprojStructure
  3. mp-771962

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-771962
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'Cr', 'O']
  • Chemical System: Cr-Li-Nb-O
  • Density: 4.256116705721287
  • Atomic Density: 0.08312436970380713
  • Unit Cell Volume: 336.8446593913552
  • Molar Volume: 7.2447355468178465
  • Full Formula: Li4 Nb4 Cr4 O16
  • Reduced Formula: LiNbCrO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 95
  • Spacegroup Symbol: P4_322
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -238.01488647
  • Final energy per atom: -8.500531659642856
  • 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.