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  1. Third-Parties
  2. MatprojStructure
  3. mp-6486

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-6486
  • 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: 24
  • Number of elements: 4
  • Element list: ['Sr', 'B', 'P', 'O']
  • Chemical System: B-O-P-Sr
  • Density: 3.6243017941106226
  • Atomic Density: 0.08338441992058244
  • Unit Cell Volume: 287.82355292341475
  • Molar Volume: 7.222141457283805
  • Full Formula: Sr3 B3 P3 O15
  • Reduced Formula: SrBPO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -190.49217304
  • Final energy per atom: -7.937173876666667
  • 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.