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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227623

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-1227623
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Ca', 'Mg', 'P', 'O', 'F']
  • Chemical System: Ca-F-Mg-O-P
  • Density: 3.085583326782228
  • Atomic Density: 0.08370045830489296
  • Unit Cell Volume: 382.31570827766114
  • Molar Volume: 7.194871906272415
  • Full Formula: Ca4 Mg4 P4 O17 F3
  • Reduced Formula: Ca4Mg4P4O17F3
  • Formula Anonymous: A3B4C4D4E17
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -230.06333695
  • Final energy per atom: -7.1894792796875
  • 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.