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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194767

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-1194767
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['B', 'H', 'C', 'S']
  • Chemical System: B-C-H-S
  • Density: 1.0873689345666775
  • Atomic Density: 0.08906907874380014
  • Unit Cell Volume: 875.7247868742481
  • Molar Volume: 6.7612024789457985
  • Full Formula: B18 H42 C12 S6
  • Reduced Formula: B3H7C2S
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -409.22952234
  • Final energy per atom: -5.246532337692308
  • 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.