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  1. Third-Parties
  2. MatprojStructure
  3. mp-705932

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-705932
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Sr', 'P', 'Cl', 'O', 'F']
  • Chemical System: Cl-F-O-P-Sr
  • Density: 3.9884449050891524
  • Atomic Density: 0.06723163950806378
  • Unit Cell Volume: 1249.4117444499477
  • Molar Volume: 8.957301657469921
  • Full Formula: Sr20 P12 Cl2 O48 F2
  • Reduced Formula: Sr10P6ClO24F
  • Formula Anonymous: ABC6D10E24
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -627.69863081
  • Final energy per atom: -7.472602747738096
  • 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.