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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201250

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-1201250
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Cs', 'Zr', 'Mn', 'Cl']
  • Chemical System: Cl-Cs-Mn-Zr
  • Density: 3.323961867352283
  • Atomic Density: 0.034449809402534594
  • Unit Cell Volume: 1799.7196813355501
  • Molar Volume: 17.480911692814562
  • Full Formula: Cs6 Zr14 Mn2 Cl40
  • Reduced Formula: Cs3Zr7MnCl20
  • Formula Anonymous: AB3C7D20
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -351.19504532
  • Final energy per atom: -5.66443621483871
  • 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.