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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200699

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-1200699
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['P', 'O', 'F']
  • Chemical System: F-O-P
  • Density: 2.1254359320670533
  • Atomic Density: 0.06195411431263963
  • Unit Cell Volume: 581.0752102488765
  • Molar Volume: 9.720324189625913
  • Full Formula: P8 O12 F16
  • Reduced Formula: P2O3F4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 54
  • Spacegroup Symbol: Pcca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -231.86244866
  • Final energy per atom: -6.440623573888889
  • 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.