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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228406

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-1228406
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Al', 'Zn', 'Cr', 'O']
  • Chemical System: Al-Cr-O-Zn
  • Density: 4.687713991129271
  • Atomic Density: 0.0987825118765868
  • Unit Cell Volume: 425.1764730630902
  • Molar Volume: 6.096363258633995
  • Full Formula: Al8 Zn6 Cr4 O24
  • Reduced Formula: Al4Zn3Cr2O12
  • Formula Anonymous: A2B3C4D12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -311.25366946
  • Final energy per atom: -7.410801653809524
  • 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.