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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173694

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-1173694
  • 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: 60
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Mg', 'Cr', 'Si', 'O']
  • Chemical System: Ca-Cr-Mg-Na-O-Si
  • Density: 2.856021610221651
  • Atomic Density: 0.07752635530019329
  • Unit Cell Volume: 773.9303591362099
  • Molar Volume: 7.767862601926013
  • Full Formula: Na3 Ca3 Mg3 Cr3 Si12 O36
  • Reduced Formula: NaCaMgCr(SiO3)4
  • Formula Anonymous: ABCDE4F12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -461.68117892
  • Final energy per atom: -7.694686315333333
  • 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.