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  1. Third-Parties
  2. MatprojStructure
  3. mp-532789

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-532789
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Li', 'Nd', 'Sb', 'Te', 'O']
  • Chemical System: Li-Nd-O-Sb-Te
  • Density: 5.772949013205856
  • Atomic Density: 0.07744412436820533
  • Unit Cell Volume: 1033.0028346584804
  • Molar Volume: 7.776110594740469
  • Full Formula: Li12 Nd12 Sb2 Te6 O48
  • Reduced Formula: Li6Nd6Sb(TeO8)3
  • Formula Anonymous: AB3C6D6E24
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -561.95301883
  • Final energy per atom: -7.024412735375
  • 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.