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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221259

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-1221259
  • 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: 40
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Mg', 'Cr', 'Si', 'O']
  • Chemical System: Ca-Cr-Mg-Na-O-Si
  • Density: 3.3794860084749914
  • Atomic Density: 0.09065260180270104
  • Unit Cell Volume: 441.24491966658786
  • Molar Volume: 6.643097539667712
  • Full Formula: Na3 Ca1 Mg1 Cr3 Si8 O24
  • Reduced Formula: Na3CaMgCr3(SiO3)8
  • Formula Anonymous: ABC3D3E8F24
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -318.99148735
  • Final energy per atom: -7.97478718375
  • 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.