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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199579

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-1199579
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 6
  • Element list: ['Bi', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: Bi-C-H-N-O-S
  • Density: 2.0291261518837347
  • Atomic Density: 0.06570929128493021
  • Unit Cell Volume: 2008.8483290379502
  • Molar Volume: 9.16482379011919
  • Full Formula: Bi4 H56 C16 S32 N20 O4
  • Reduced Formula: BiH14C4S8N5O
  • Formula Anonymous: ABC4D5E8F14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -731.23341664
  • Final energy per atom: -5.539647095757576
  • 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.