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  1. Third-Parties
  2. MatprojStructure
  3. mp-774832

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-774832
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 4
  • Element list: ['Ba', 'Li', 'Bi', 'O']
  • Chemical System: Ba-Bi-Li-O
  • Density: 6.363113515965109
  • Atomic Density: 0.05540406873048295
  • Unit Cell Volume: 1335.6419789307945
  • Molar Volume: 10.86949189471108
  • Full Formula: Ba20 Li4 Bi8 O42
  • Reduced Formula: Ba10Li2Bi4O21
  • Formula Anonymous: A2B4C10D21
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -460.43238328000007
  • Final energy per atom: -6.222059233513514
  • 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.