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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205269

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-1205269
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 200
  • Number of elements: 5
  • Element list: ['Na', 'B', 'S', 'I', 'O']
  • Chemical System: B-I-Na-O-S
  • Density: 2.9359159324514543
  • Atomic Density: 0.03998167041936675
  • Unit Cell Volume: 5002.29224797776
  • Molar Volume: 15.062254019989448
  • Full Formula: Na8 B48 S32 I48 O64
  • Reduced Formula: NaB6S4(I3O4)2
  • Formula Anonymous: AB4C6D6E8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1060.01582938
  • Final energy per atom: -5.3000791469
  • 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.