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  1. Third-Parties
  2. MatprojStructure
  3. mp-570192

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-570192
  • 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: 4
  • Element list: ['Cs', 'Zr', 'Mn', 'I']
  • Chemical System: Cs-I-Mn-Zr
  • Density: 5.030255854481192
  • Atomic Density: 0.026531997282727822
  • Unit Cell Volume: 1658.37496254546
  • Molar Volume: 22.697653312064748
  • Full Formula: Cs2 Zr12 Mn2 I28
  • Reduced Formula: CsZr6MnI14
  • Formula Anonymous: ABC6D14
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -218.71446395
  • Final energy per atom: -4.97078327159091
  • 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.