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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202405

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-1202405
  • 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: 122
  • Number of elements: 6
  • Element list: ['Si', 'Bi', 'As', 'H', 'C', 'Cl']
  • Chemical System: As-Bi-C-Cl-H-Si
  • Density: 1.626747263916653
  • Atomic Density: 0.06770890587310255
  • Unit Cell Volume: 1801.830917614409
  • Molar Volume: 8.894163452126175
  • Full Formula: Si8 Bi4 As2 H76 C28 Cl4
  • Reduced Formula: Si4Bi2AsH38(C7Cl)2
  • Formula Anonymous: AB2C2D4E14F38
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -620.41046405
  • Final energy per atom: -5.085331672540983
  • 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.