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  1. Third-Parties
  2. MatprojStructure
  3. mp-695928

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-695928
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 5
  • Element list: ['Co', 'P', 'H', 'O', 'F']
  • Chemical System: Co-F-H-O-P
  • Density: 2.5183525465284
  • Atomic Density: 0.10784012784127942
  • Unit Cell Volume: 556.3791623866473
  • Molar Volume: 5.584322719705479
  • Full Formula: Co4 P4 H24 O24 F4
  • Reduced Formula: CoPH6O6F
  • Formula Anonymous: ABCD6E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -361.18469448
  • Final energy per atom: -6.019744908000001
  • 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.