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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204309

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-1204309
  • 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: 84
  • Number of elements: 7
  • Element list: ['Sb', 'H', 'C', 'S', 'Br', 'N', 'O']
  • Chemical System: Br-C-H-N-O-S-Sb
  • Density: 2.2975331064806603
  • Atomic Density: 0.054851845698692364
  • Unit Cell Volume: 1531.397876042711
  • Molar Volume: 10.978920915588377
  • Full Formula: Sb4 H32 C8 S8 Br12 N16 O4
  • Reduced Formula: SbH8C2S2Br3N4O
  • Formula Anonymous: ABC2D2E3F4G8
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -438.39017466000007
  • Final energy per atom: -5.218930650714286
  • 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.