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  1. Third-Parties
  2. MatprojStructure
  3. mp-754133

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-754133
  • 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: 36
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'B', 'O']
  • Chemical System: B-Cr-Li-O
  • Density: 3.1622485279165393
  • Atomic Density: 0.09704002126502771
  • Unit Cell Volume: 370.98095745135674
  • Molar Volume: 6.205832069587893
  • Full Formula: Li6 Cr6 B6 O18
  • Reduced Formula: LiCrBO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -286.52886366
  • Final energy per atom: -7.959135101666667
  • 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.