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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199516

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-1199516
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 5
  • Element list: ['Na', 'H', 'S', 'Br', 'O']
  • Chemical System: Br-H-Na-O-S
  • Density: 2.495742090343872
  • Atomic Density: 0.0772744436641733
  • Unit Cell Volume: 1967.0151319442195
  • Molar Volume: 7.793185527380305
  • Full Formula: Na36 H16 S16 Br4 O80
  • Reduced Formula: Na9H4S4BrO20
  • Formula Anonymous: AB4C4D9E20
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -862.2667795899999
  • Final energy per atom: -5.672807760460526
  • 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.