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  1. Third-Parties
  2. MatprojStructure
  3. mp-1041443

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-1041443
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 2
  • Element list: ['Cr', 'O']
  • Chemical System: Cr-O
  • Density: 3.0608268241165852
  • Atomic Density: 0.06807948479352159
  • Unit Cell Volume: 381.90653291304204
  • Molar Volume: 8.845749609099663
  • Full Formula: Cr8 O18
  • Reduced Formula: Cr4O9
  • Formula Anonymous: A4B9
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -210.35578708
  • Final energy per atom: -8.090607195384615
  • 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.