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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196653

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-1196653
  • 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: 76
  • Number of elements: 5
  • Element list: ['Ga', 'Sb', 'S', 'N', 'O']
  • Chemical System: Ga-N-O-S-Sb
  • Density: 2.3180246118875636
  • Atomic Density: 0.0347498053473746
  • Unit Cell Volume: 2187.062610574937
  • Molar Volume: 17.329998541862285
  • Full Formula: Ga16 Sb4 S36 N12 O8
  • Reduced Formula: Ga4SbS9N3O2
  • Formula Anonymous: AB2C3D4E9
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -333.76277176
  • Final energy per atom: -4.391615417894737
  • 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.