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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218956

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-1218956
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Sr', 'P', 'Br', 'O', 'F']
  • Chemical System: Br-F-O-P-Sr
  • Density: 4.009034634734957
  • Atomic Density: 0.06695408760244018
  • Unit Cell Volume: 1254.5910639358572
  • Molar Volume: 8.994433313404631
  • Full Formula: Sr20 P12 Br1 O48 F3
  • Reduced Formula: Sr20P12Br(O16F)3
  • Formula Anonymous: AB3C12D20E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -628.55172096
  • Final energy per atom: -7.482758582857143
  • 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.