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  1. Third-Parties
  2. MatprojStructure
  3. mp-720216

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-720216
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['Ca', 'Y', 'Al', 'Cr', 'Si', 'O']
  • Chemical System: Al-Ca-Cr-O-Si-Y
  • Density: 4.1872734656542985
  • Atomic Density: 0.0894947705664091
  • Unit Cell Volume: 893.9069790746761
  • Molar Volume: 6.729042067917593
  • Full Formula: Ca3 Y9 Al18 Cr1 Si1 O48
  • Reduced Formula: Ca3Y9Al18CrSiO48
  • Formula Anonymous: ABC3D9E18F48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -667.70971234
  • Final energy per atom: -8.34637140425
  • 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.