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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214174

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-1214174
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Ga', 'Cu', 'O']
  • Chemical System: Ca-Cu-Ga-La-O
  • Density: 5.130825597658075
  • Atomic Density: 0.07609439337895457
  • Unit Cell Volume: 341.68088929388614
  • Molar Volume: 7.914040039729843
  • Full Formula: Ca4 La2 Ga2 Cu4 O14
  • Reduced Formula: Ca2LaGaCu2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -174.2030066
  • Final energy per atom: -6.700115638461539
  • 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.