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  1. Third-Parties
  2. MatprojStructure
  3. mp-1334368

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-1334368
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 3
  • Element list: ['Al', 'Bi', 'O']
  • Chemical System: Al-Bi-O
  • Density: 5.7705143739198865
  • Atomic Density: 0.07640745576168621
  • Unit Cell Volume: 1125.544610047386
  • Molar Volume: 7.881614038796126
  • Full Formula: Al20 Bi12 O54
  • Reduced Formula: Al10(Bi2O9)3
  • Formula Anonymous: A6B10C27
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -597.3962022
  • Final energy per atom: -6.94646746744186
  • 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.