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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197341

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-1197341
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 4
  • Element list: ['Si', 'As', 'H', 'C']
  • Chemical System: As-C-H-Si
  • Density: 0.9369229202395986
  • Atomic Density: 0.07663832501738053
  • Unit Cell Volume: 2087.7282999558533
  • Molar Volume: 7.857871056856033
  • Full Formula: Si12 As4 H108 C36
  • Reduced Formula: Si3As(H3C)9
  • Formula Anonymous: AB3C9D27
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -815.6607768699998
  • Final energy per atom: -5.097879855437499
  • 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.