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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204099

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-1204099
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 6
  • Element list: ['Bi', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: Bi-C-Cl-H-N-O
  • Density: 2.1505319910879757
  • Atomic Density: 0.07432291472397226
  • Unit Cell Volume: 1829.8528859516632
  • Molar Volume: 8.102670330362605
  • Full Formula: Bi4 H56 C16 N32 Cl20 O8
  • Reduced Formula: BiH14C4N8Cl5O2
  • Formula Anonymous: AB2C4D5E8F14
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -799.04297996
  • Final energy per atom: -5.875316029117648
  • 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.