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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019720

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-1019720
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Cs', 'Zr', 'Al', 'P', 'O']
  • Chemical System: Al-Cs-O-P-Zr
  • Density: 3.0999566986623655
  • Atomic Density: 0.062036601349495804
  • Unit Cell Volume: 1547.473554509611
  • Molar Volume: 9.707399549619177
  • Full Formula: Cs4 Zr8 Al4 P16 O64
  • Reduced Formula: CsZr2Al(PO4)4
  • Formula Anonymous: ABC2D4E16
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -794.58095331
  • Final energy per atom: -8.2768849303125
  • 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.