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  1. Third-Parties
  2. MatprojStructure
  3. mp-758775

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-758775
  • 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: 48
  • Number of elements: 5
  • Element list: ['Cs', 'Mn', 'H', 'O', 'F']
  • Chemical System: Cs-F-H-Mn-O
  • Density: 3.07319123007607
  • Atomic Density: 0.07406142927576029
  • Unit Cell Volume: 648.1106355816713
  • Molar Volume: 8.131278074012268
  • Full Formula: Cs4 Mn4 H16 O8 F16
  • Reduced Formula: CsMnH4(OF2)2
  • Formula Anonymous: ABC2D4E4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -266.29642571
  • Final energy per atom: -5.547842202291666
  • 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.