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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197314

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-1197314
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 172
  • Number of elements: 5
  • Element list: ['Si', 'Bi', 'H', 'C', 'Cl']
  • Chemical System: Bi-C-Cl-H-Si
  • Density: 1.536133842834312
  • Atomic Density: 0.07777376201728646
  • Unit Cell Volume: 2211.542756048888
  • Molar Volume: 7.743152194002759
  • Full Formula: Si12 Bi4 H108 C40 Cl8
  • Reduced Formula: Si3BiH27(C5Cl)2
  • Formula Anonymous: AB2C3D10E27
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -875.96865944
  • Final energy per atom: -5.092841043255814
  • 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.