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  1. Third-Parties
  2. MatprojStructure
  3. mp-24116

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-24116
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 5
  • Element list: ['Mn', 'Cr', 'H', 'N', 'F']
  • Chemical System: Cr-F-H-Mn-N
  • Density: 2.045282455493825
  • Atomic Density: 0.12198512827766403
  • Unit Cell Volume: 1049.3082378750698
  • Molar Volume: 4.936782741493151
  • Full Formula: Mn4 Cr4 H72 N24 F24
  • Reduced Formula: MnCrH18(NF)6
  • Formula Anonymous: ABC6D6E18
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -708.1517787099999
  • Final energy per atom: -5.532435771171874
  • 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.