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  1. Third-Parties
  2. MatprojStructure
  3. mp-1043300

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-1043300
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Cr', 'O']
  • Chemical System: Cr-O
  • Density: 2.600274346450069
  • Atomic Density: 0.0595766093555794
  • Unit Cell Volume: 234.99155375630465
  • Molar Volume: 10.10823010093981
  • Full Formula: Cr4 O10
  • Reduced Formula: Cr2O5
  • Formula Anonymous: A2B5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -111.49281134
  • Final energy per atom: -7.963772238571429
  • 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.