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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218712

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-1218712
  • 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: 78
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'Y', 'Ga', 'Cu', 'O']
  • Chemical System: Ca-Cu-Ga-O-Sr-Y
  • Density: 5.3715000984998325
  • Atomic Density: 0.07554116499046616
  • Unit Cell Volume: 1032.549604044949
  • Molar Volume: 7.971998791334551
  • Full Formula: Sr12 Ca2 Y4 Ga6 Cu12 O42
  • Reduced Formula: Sr6CaY2Ga3(Cu2O7)3
  • Formula Anonymous: AB2C3D6E6F21
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -514.74793621
  • Final energy per atom: -6.599332515512821
  • 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.