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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203101

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-1203101
  • 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: 50
  • Number of elements: 5
  • Element list: ['Na', 'B', 'H', 'S', 'O']
  • Chemical System: B-H-Na-O-S
  • Density: 1.481443189564462
  • Atomic Density: 0.07334070566111225
  • Unit Cell Volume: 681.7496443385287
  • Molar Volume: 8.211184642573114
  • Full Formula: Na2 B12 H16 S6 O14
  • Reduced Formula: NaB6H8S3O7
  • Formula Anonymous: AB3C6D7E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -277.94042897
  • Final energy per atom: -5.558808579400001
  • 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.