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  1. Third-Parties
  2. MatprojStructure
  3. mp-504662

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-504662
  • 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: 36
  • Number of elements: 3
  • Element list: ['Sb', 'Cl', 'O']
  • Chemical System: Cl-O-Sb
  • Density: 3.957607450114091
  • Atomic Density: 0.04127868872952746
  • Unit Cell Volume: 872.1207264088428
  • Molar Volume: 14.588982705965277
  • Full Formula: Sb12 Cl12 O12
  • Reduced Formula: SbClO
  • Formula Anonymous: ABC
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -188.92071186
  • Final energy per atom: -5.247797551666667
  • 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.