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  1. Third-Parties
  2. MatprojStructure
  3. mp-558692

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-558692
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Sb', 'Cl', 'O', 'F']
  • Chemical System: Cl-F-O-Sb
  • Density: 3.1393663336409388
  • Atomic Density: 0.058176523040039306
  • Unit Cell Volume: 1100.1001203862381
  • Molar Volume: 10.351496523529486
  • Full Formula: Sb8 Cl4 O8 F44
  • Reduced Formula: Sb2ClO2F11
  • Formula Anonymous: AB2C2D11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -302.60911545
  • Final energy per atom: -4.72826742890625
  • 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.