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  1. Third-Parties
  2. MatprojStructure
  3. mp-653861

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-653861
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['K', 'Lu', 'Si', 'O']
  • Chemical System: K-Lu-O-Si
  • Density: 3.208057589221635
  • Atomic Density: 0.059385642626117875
  • Unit Cell Volume: 1077.7015650556036
  • Molar Volume: 10.140735190683035
  • Full Formula: K12 Lu4 Si12 O36
  • Reduced Formula: K3Lu(SiO3)3
  • Formula Anonymous: AB3C3D9
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -474.76190406
  • Final energy per atom: -7.4181547509375
  • 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.