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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212663

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-1212663
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 150
  • Number of elements: 4
  • Element list: ['Na', 'S', 'Cl', 'O']
  • Chemical System: Cl-Na-O-S
  • Density: 2.4626620250784947
  • Atomic Density: 0.07072200182924603
  • Unit Cell Volume: 2120.9806866350573
  • Molar Volume: 8.515229496105176
  • Full Formula: Na44 S20 Cl6 O80
  • Reduced Formula: Na22S10Cl3O40
  • Formula Anonymous: A3B10C22D40
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -869.59546893
  • Final energy per atom: -5.7973031262
  • 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.