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  1. Third-Parties
  2. MatprojStructure
  3. mp-554282

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-554282
  • 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: 80
  • Number of elements: 3
  • Element list: ['Lu', 'B', 'O']
  • Chemical System: B-Lu-O
  • Density: 6.9901005040295034
  • Atomic Density: 0.1092040591446796
  • Unit Cell Volume: 732.5735016315791
  • Molar Volume: 5.5145759298393235
  • Full Formula: Lu12 B20 O48
  • Reduced Formula: Lu3B5O12
  • Formula Anonymous: A3B5C12
  • Spacegroup Number: 53
  • Spacegroup Symbol: Pmna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -696.0207851
  • Final energy per atom: -8.70025981375
  • 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.