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  1. Third-Parties
  2. MatprojStructure
  3. mp-22430

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-22430
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['B', 'As', 'Pb', 'O']
  • Chemical System: As-B-O-Pb
  • Density: 5.794690416668224
  • Atomic Density: 0.07485904334085267
  • Unit Cell Volume: 320.60254752016755
  • Molar Volume: 8.044640288254323
  • Full Formula: B3 As3 Pb3 O15
  • Reduced Formula: BAsPbO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 144
  • Spacegroup Symbol: P3_1
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -169.13289070000002
  • Final energy per atom: -7.047203779166668
  • 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.