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  1. Third-Parties
  2. MatprojStructure
  3. mp-732343

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-732343
  • 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: 54
  • Number of elements: 3
  • Element list: ['Cr', 'As', 'O']
  • Chemical System: As-Cr-O
  • Density: 3.646173721927591
  • Atomic Density: 0.06913733381007718
  • Unit Cell Volume: 781.054128415481
  • Molar Volume: 8.710403523142858
  • Full Formula: Cr4 As12 O38
  • Reduced Formula: Cr2As6O19
  • Formula Anonymous: A2B6C19
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -370.05843024
  • Final energy per atom: -6.852933893333334
  • 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.