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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209020

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-1209020
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Ga', 'Cu', 'O']
  • Chemical System: Ca-Cu-Ga-O-Sr
  • Density: 4.972648998927004
  • Atomic Density: 0.07716265757344483
  • Unit Cell Volume: 440.62764385270395
  • Molar Volume: 7.804475570670975
  • Full Formula: Sr4 Ca4 Ga2 Cu6 O18
  • Reduced Formula: Sr2Ca2Ga(CuO3)3
  • Formula Anonymous: AB2C2D3E9
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -210.9246812
  • Final energy per atom: -6.203667094117647
  • 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.