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  1. Third-Parties
  2. MatprojStructure
  3. mp-1237522

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-1237522
  • 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: 136
  • Number of elements: 4
  • Element list: ['Bi', 'Sb', 'P', 'O']
  • Chemical System: Bi-O-P-Sb
  • Density: 4.060380516211872
  • Atomic Density: 0.07266694580287646
  • Unit Cell Volume: 1871.552443788226
  • Molar Volume: 8.287317835451974
  • Full Formula: Bi4 Sb12 P24 O96
  • Reduced Formula: BiSb3(PO4)6
  • Formula Anonymous: AB3C6D24
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -990.25565783
  • Final energy per atom: -7.281291601691176
  • 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.