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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210199

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-1210199
  • 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: 24
  • Number of elements: 7
  • Element list: ['Na', 'Ca', 'Al', 'P', 'H', 'O', 'F']
  • Chemical System: Al-Ca-F-H-Na-O-P
  • Density: 2.960333822820745
  • Atomic Density: 0.08912851892604101
  • Unit Cell Volume: 269.2740807228631
  • Molar Volume: 6.756693404719519
  • Full Formula: Na2 Ca2 Al2 P2 H2 O10 F4
  • Reduced Formula: NaCaAlPHO5F2
  • Formula Anonymous: ABCDEF2G5
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -162.83613938
  • Final energy per atom: -6.784839140833333
  • 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.