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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210973

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-1210973
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 5
  • Element list: ['Li', 'Cr', 'P', 'H', 'O']
  • Chemical System: Cr-H-Li-O-P
  • Density: 1.8966166297276617
  • Atomic Density: 0.059442644100086546
  • Unit Cell Volume: 454.21936404004424
  • Molar Volume: 10.131010911728996
  • Full Formula: Li3 Cr4 P1 H3 O16
  • Reduced Formula: Li3Cr4PH3O16
  • Formula Anonymous: AB3C3D4E16
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -177.43339265
  • Final energy per atom: -6.571607135185185
  • 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.