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  1. Third-Parties
  2. MatprojStructure
  3. mp-1250522

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-1250522
  • 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: 72
  • Number of elements: 4
  • Element list: ['Ca', 'Cr', 'Si', 'O']
  • Chemical System: Ca-Cr-O-Si
  • Density: 3.2957105361127734
  • Atomic Density: 0.08499491212561143
  • Unit Cell Volume: 847.1095292573908
  • Molar Volume: 7.085295589340759
  • Full Formula: Ca4 Cr8 Si12 O48
  • Reduced Formula: CaCr2(SiO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -570.06209954
  • Final energy per atom: -7.917529160277777
  • 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.