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  1. Third-Parties
  2. MatprojStructure
  3. mp-21539

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-21539
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ca', 'Cr', 'Cu', 'Sb', 'O']
  • Chemical System: Ca-Cr-Cu-O-Sb
  • Density: 5.910614755708731
  • Atomic Density: 0.09242685943206355
  • Unit Cell Volume: 432.7746311601247
  • Molar Volume: 6.515574365508383
  • Full Formula: Ca2 Cr4 Cu6 Sb4 O24
  • Reduced Formula: CaCr2Cu3(SbO6)2
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 201
  • Spacegroup Symbol: Pn-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -277.75588145
  • Final energy per atom: -6.94389703625
  • 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.