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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218697

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-1218697
  • 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: 78
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'Y', 'Ga', 'Cu', 'O']
  • Chemical System: Ca-Cu-Ga-O-Sr-Y
  • Density: 5.345599816124309
  • Atomic Density: 0.07517692083737092
  • Unit Cell Volume: 1037.5524713061368
  • Molar Volume: 8.010624394988998
  • Full Formula: Sr12 Ca2 Y4 Ga6 Cu12 O42
  • Reduced Formula: Sr6CaY2Ga3(Cu2O7)3
  • Formula Anonymous: AB2C3D6E6F21
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -514.72856056
  • Final energy per atom: -6.59908410974359
  • 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.