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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197581

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-1197581
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 208
  • Number of elements: 4
  • Element list: ['Na', 'B', 'S', 'O']
  • Chemical System: B-Na-O-S
  • Density: 2.360070723752832
  • Atomic Density: 0.07245533465022594
  • Unit Cell Volume: 2870.7341012791994
  • Molar Volume: 8.31152155886319
  • Full Formula: Na40 B8 S32 O128
  • Reduced Formula: Na5B(SO4)4
  • Formula Anonymous: AB4C5D16
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1325.17085892
  • Final energy per atom: -6.3710137448076924
  • 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.