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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211982

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-1211982
  • 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: 92
  • Number of elements: 4
  • Element list: ['Lu', 'Nb', 'Cl', 'O']
  • Chemical System: Cl-Lu-Nb-O
  • Density: 3.498777748859008
  • Atomic Density: 0.039041003315666914
  • Unit Cell Volume: 2356.496815825452
  • Molar Volume: 15.425169049339853
  • Full Formula: Lu4 Nb24 Cl52 O12
  • Reduced Formula: LuNb6Cl13O3
  • Formula Anonymous: AB3C6D13
  • Spacegroup Number: 98
  • Spacegroup Symbol: I4_122
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -611.77805312
  • Final energy per atom: -6.649761446956521
  • 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.