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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228323

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-1228323
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Y', 'Cu', 'O']
  • Chemical System: Ba-Ca-Cu-O-Y
  • Density: 5.830807910317271
  • Atomic Density: 0.06604635549435464
  • Unit Cell Volume: 726.7622814419009
  • Molar Volume: 9.118051578962213
  • Full Formula: Ba8 Ca1 Y3 Cu12 O24
  • Reduced Formula: Ba8CaY3(CuO2)12
  • Formula Anonymous: AB3C8D12E24
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -309.47158529
  • Final energy per atom: -6.447324693541667
  • 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.