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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199673

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-1199673
  • 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: 78
  • Number of elements: 5
  • Element list: ['Co', 'P', 'H', 'O', 'F']
  • Chemical System: Co-F-H-O-P
  • Density: 2.9959914314796867
  • Atomic Density: 0.09710278138758753
  • Unit Cell Volume: 803.2725621798779
  • Molar Volume: 6.201821074478305
  • Full Formula: Co10 P8 H24 O32 F4
  • Reduced Formula: Co5P4H12(O8F)2
  • Formula Anonymous: A2B4C5D12E16
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -488.90578008
  • Final energy per atom: -6.2680228215384615
  • 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.