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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194090

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-1194090
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Cs', 'Sb', 'C', 'Cl']
  • Chemical System: C-Cl-Cs-Sb
  • Density: 2.2982792491451707
  • Atomic Density: 0.03570023893263267
  • Unit Cell Volume: 728.2864422577875
  • Molar Volume: 16.868628726446186
  • Full Formula: Cs2 Sb2 C12 Cl10
  • Reduced Formula: CsSbC6Cl5
  • Formula Anonymous: ABC5D6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -139.23097167999998
  • Final energy per atom: -5.355037372307692
  • 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.