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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200711

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-1200711
  • 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: 100
  • Number of elements: 6
  • Element list: ['Sb', 'H', 'C', 'S', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-S-Sb
  • Density: 2.2170426020284206
  • Atomic Density: 0.0545045644878459
  • Unit Cell Volume: 1834.7087246665228
  • Molar Volume: 11.048874193541884
  • Full Formula: Sb8 H32 C12 S4 Cl24 O20
  • Reduced Formula: Sb2H8C3SCl6O5
  • Formula Anonymous: AB2C3D5E6F8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -504.54991934
  • Final energy per atom: -5.0454991933999995
  • 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.