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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197963

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-1197963
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 6
  • Element list: ['K', 'Sm', 'Ga', 'B', 'S', 'I']
  • Chemical System: B-Ga-I-K-S-Sm
  • Density: 2.7060232172509875
  • Atomic Density: 0.04663341630492578
  • Unit Cell Volume: 1372.406421642324
  • Molar Volume: 12.913788517278102
  • Full Formula: K6 Sm2 Ga6 B24 S24 I2
  • Reduced Formula: K3SmGa3B12S12I
  • Formula Anonymous: ABC3D3E12F12
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -361.71937098
  • Final energy per atom: -5.6518651715625
  • 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.