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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192997

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-1192997
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 5
  • Element list: ['Cs', 'Fe', 'P', 'H', 'O']
  • Chemical System: Cs-Fe-H-O-P
  • Density: 2.4800233598118737
  • Atomic Density: 0.09529438111853442
  • Unit Cell Volume: 262.34495367468827
  • Molar Volume: 6.319512954818608
  • Full Formula: Cs1 Fe1 P1 H12 O10
  • Reduced Formula: CsFeP(H6O5)2
  • Formula Anonymous: ABCD10E12
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -145.02544297
  • Final energy per atom: -5.8010177188
  • 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.