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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204493

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-1204493
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 6
  • Element list: ['Na', 'Sr', 'Gd', 'P', 'O', 'F']
  • Chemical System: F-Gd-Na-O-P-Sr
  • Density: 4.235655821134723
  • Atomic Density: 0.0717072606220123
  • Unit Cell Volume: 585.714746814733
  • Molar Volume: 8.3982301203002
  • Full Formula: Na2 Sr6 Gd2 P6 O24 F2
  • Reduced Formula: NaSr3GdP3O12F
  • Formula Anonymous: ABCD3E3F12
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -337.06642673
  • Final energy per atom: -8.025391112619047
  • 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.