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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219693

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-1219693
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 7
  • Element list: ['Sb', 'H', 'C', 'S', 'Cl', 'O', 'F']
  • Chemical System: C-Cl-F-H-O-S-Sb
  • Density: 2.238798796320685
  • Atomic Density: 0.04667626808181796
  • Unit Cell Volume: 985.5115220301558
  • Molar Volume: 12.901932839711822
  • Full Formula: Sb4 H6 C6 S2 Cl12 O10 F6
  • Reduced Formula: Sb2H3C3SCl6O5F3
  • Formula Anonymous: AB2C3D3E3F5G6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -239.28860763
  • Final energy per atom: -5.201926252826087
  • 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.