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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203990

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-1203990
  • 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: 68
  • Number of elements: 5
  • Element list: ['Cr', 'H', 'N', 'O', 'F']
  • Chemical System: Cr-F-H-N-O
  • Density: 1.6756352154367424
  • Atomic Density: 0.11783721950306877
  • Unit Cell Volume: 577.0672482494303
  • Molar Volume: 5.110559113152843
  • Full Formula: Cr2 H40 N4 O12 F10
  • Reduced Formula: CrH20N2O6F5
  • Formula Anonymous: AB2C5D6E20
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -363.29832991
  • Final energy per atom: -5.34262249867647
  • 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.