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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204034

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-1204034
  • 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: 64
  • Number of elements: 5
  • Element list: ['Sb', 'C', 'S', 'Cl', 'O']
  • Chemical System: C-Cl-O-S-Sb
  • Density: 1.8130633927409208
  • Atomic Density: 0.029096198226443267
  • Unit Cell Volume: 2199.6000818359626
  • Molar Volume: 20.697345794568257
  • Full Formula: Sb8 C16 S8 Cl24 O8
  • Reduced Formula: SbC2SCl3O
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -307.37086229
  • Final energy per atom: -4.80266972328125
  • 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.