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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214103

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-1214103
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Ca', 'Ta', 'Cr', 'O']
  • Chemical System: Ca-Cr-O-Ta
  • Density: 5.6953090339876224
  • Atomic Density: 0.08383831870188078
  • Unit Cell Volume: 477.1088044147844
  • Molar Volume: 7.183040945052852
  • Full Formula: Ca8 Ta4 Cr4 O24
  • Reduced Formula: Ca2TaCrO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -350.20852738
  • Final energy per atom: -8.7552131845
  • 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.