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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213536

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-1213536
  • 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: 44
  • Number of elements: 3
  • Element list: ['Cs', 'Mo', 'Cl']
  • Chemical System: Cl-Cs-Mo
  • Density: 3.2849489967731107
  • Atomic Density: 0.03253219196857176
  • Unit Cell Volume: 1352.506466287513
  • Molar Volume: 18.511327997258178
  • Full Formula: Cs4 Mo12 Cl28
  • Reduced Formula: CsMo3Cl7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -252.73178561000003
  • Final energy per atom: -5.743904218409091
  • 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.