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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227578

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-1227578
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Ca', 'La', 'Sb', 'O']
  • Chemical System: Ca-La-O-Sb
  • Density: 4.240672672588196
  • Atomic Density: 0.04130615670036778
  • Unit Cell Volume: 629.4461183741286
  • Molar Volume: 14.579281252633173
  • Full Formula: Ca2 La5 Sb5 O14
  • Reduced Formula: Ca2La5Sb5O14
  • Formula Anonymous: A2B5C5D14
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -179.71426538
  • Final energy per atom: -6.91208713
  • 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.