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  1. Third-Parties
  2. MatprojStructure
  3. mp-773176

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-773176
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Li', 'Cr', 'As', 'C', 'O']
  • Chemical System: As-C-Cr-Li-O
  • Density: 3.0164043398177327
  • Atomic Density: 0.08231776233215733
  • Unit Cell Volume: 583.1062293252942
  • Molar Volume: 7.315724564645336
  • Full Formula: Li8 Cr4 As4 C4 O28
  • Reduced Formula: Li2CrAsCO7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -348.54417704
  • Final energy per atom: -7.261337021666667
  • 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.