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  1. Third-Parties
  2. MatprojStructure
  3. mp-765523

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-765523
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Ca', 'Cu', 'O']
  • Chemical System: Ca-Cu-O
  • Density: 4.892125138940408
  • Atomic Density: 0.0810476934725813
  • Unit Cell Volume: 592.2438744816169
  • Molar Volume: 7.430366617450144
  • Full Formula: Ca7 Cu17 O24
  • Reduced Formula: Ca7Cu17O24
  • Formula Anonymous: A7B17C24
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -279.22966739
  • Final energy per atom: -5.817284737291666
  • 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.