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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202352

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-1202352
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 248
  • Number of elements: 4
  • Element list: ['B', 'H', 'C', 'S']
  • Chemical System: B-C-H-S
  • Density: 0.9165446043685566
  • Atomic Density: 0.09383954008890427
  • Unit Cell Volume: 2642.8092013776172
  • Molar Volume: 6.417487505048063
  • Full Formula: B80 H144 C16 S8
  • Reduced Formula: B10H18C2S
  • Formula Anonymous: AB2C10D18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1235.36269628
  • Final energy per atom: -4.981301194677419
  • 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.