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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214167

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-1214167
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Ca', 'Pr', 'Ga', 'Cu', 'O']
  • Chemical System: Ca-Cu-Ga-O-Pr
  • Density: 5.194413012344819
  • Atomic Density: 0.07674635423116596
  • Unit Cell Volume: 338.7783075882144
  • Molar Volume: 7.846810210503088
  • Full Formula: Ca4 Pr2 Ga2 Cu4 O14
  • Reduced Formula: Ca2PrGaCu2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -173.24240941
  • Final energy per atom: -6.663169592692308
  • 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.