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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214839

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-1214839
  • 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: 20
  • Number of elements: 4
  • Element list: ['Al', 'Bi', 'B', 'O']
  • Chemical System: Al-B-Bi-O
  • Density: 4.618512200731865
  • Atomic Density: 0.10592289746666823
  • Unit Cell Volume: 188.81658714343223
  • Molar Volume: 5.685400328002777
  • Full Formula: Al3 Bi1 B4 O12
  • Reduced Formula: Al3Bi(BO3)4
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -159.94708652
  • Final energy per atom: -7.997354326
  • 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.