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  1. Third-Parties
  2. MatprojStructure
  3. mp-773078

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-773078
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 67
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Nb', 'O']
  • Chemical System: Ca-Li-Nb-O
  • Density: 4.220455196294206
  • Atomic Density: 0.08017103514705598
  • Unit Cell Volume: 835.7132956697311
  • Molar Volume: 7.511616569442714
  • Full Formula: Li7 Ca8 Nb12 O40
  • Reduced Formula: Li7Ca8Nb12O40
  • Formula Anonymous: A7B8C12D40
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -556.26970664
  • Final energy per atom: -8.302532934925372
  • 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.