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  1. Third-Parties
  2. MatprojStructure
  3. mp-708066

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-708066
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 5
  • Element list: ['Sb', 'H', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-Sb
  • Density: 3.118627005122769
  • Atomic Density: 0.045355064216946246
  • Unit Cell Volume: 2910.369597727968
  • Molar Volume: 13.277769228138181
  • Full Formula: Sb24 H12 C4 Cl52 O40
  • Reduced Formula: Sb6H3CCl13O10
  • Formula Anonymous: AB3C6D10E13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -645.5665563800001
  • Final energy per atom: -4.890655730151516
  • 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.