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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233168

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-1233168
  • 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: 21
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Ni', 'W', 'O']
  • Chemical System: Ca-La-Ni-O-W
  • Density: 6.509019935798875
  • Atomic Density: 0.07172827476527052
  • Unit Cell Volume: 292.7715753476871
  • Molar Volume: 8.395769701289131
  • Full Formula: Ca1 La4 Ni3 W1 O12
  • Reduced Formula: CaLa4Ni3WO12
  • Formula Anonymous: ABC3D4E12
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -161.94007823
  • Final energy per atom: -7.7114322966666675
  • 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.