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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233509

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-1233509
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Ca', 'Sm', 'Tm', 'O']
  • Chemical System: Ca-O-Sm-Tm
  • Density: 8.115400032758606
  • Atomic Density: 0.06800167718634112
  • Unit Cell Volume: 308.8159126201387
  • Molar Volume: 8.855870927268263
  • Full Formula: Ca1 Sm4 Tm4 O12
  • Reduced Formula: CaSm4Tm4O12
  • Formula Anonymous: AB4C4D12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -171.65743269
  • Final energy per atom: -8.174163461428572
  • 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.