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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229133

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-1229133
  • 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: 14
  • Number of elements: 5
  • Element list: ['Cs', 'P', 'H', 'O', 'F']
  • Chemical System: Cs-F-H-O-P
  • Density: 3.14594685248325
  • Atomic Density: 0.057191303560158405
  • Unit Cell Volume: 244.79246193914213
  • Molar Volume: 10.529819019888976
  • Full Formula: Cs2 P2 H2 O6 F2
  • Reduced Formula: CsPHO3F
  • Formula Anonymous: ABCDE3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -87.80976148
  • Final energy per atom: -6.27212582
  • 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.