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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233609

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-1233609
  • 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: 6
  • Element list: ['Ca', 'La', 'Co', 'Sb', 'Pb', 'O']
  • Chemical System: Ca-Co-La-O-Pb-Sb
  • Density: 6.356189605308783
  • Atomic Density: 0.06252276307001352
  • Unit Cell Volume: 335.8776702892037
  • Molar Volume: 9.63191718391645
  • Full Formula: Ca1 La2 Co2 Sb2 Pb2 O12
  • Reduced Formula: CaLa2Co2Sb2(PbO6)2
  • Formula Anonymous: AB2C2D2E2F12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -146.72802620000002
  • Final energy per atom: -6.987048866666667
  • 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.