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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218918

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-1218918
  • 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: 42
  • Number of elements: 5
  • Element list: ['Sr', 'P', 'Br', 'O', 'F']
  • Chemical System: Br-F-O-P-Sr
  • Density: 4.0489859473591725
  • Atomic Density: 0.06628839352552827
  • Unit Cell Volume: 633.5950800169174
  • Molar Volume: 9.084758944536524
  • Full Formula: Sr10 P6 Br1 O24 F1
  • Reduced Formula: Sr10P6BrO24F
  • Formula Anonymous: ABC6D10E24
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -312.5071687
  • Final energy per atom: -7.440646873809524
  • 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.