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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182519

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-1182519
  • 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: 104
  • Number of elements: 5
  • Element list: ['Mn', 'Fe', 'H', 'N', 'F']
  • Chemical System: F-Fe-H-Mn-N
  • Density: 2.850352355729367
  • Atomic Density: 0.09190154113547983
  • Unit Cell Volume: 1131.645875738741
  • Molar Volume: 6.5528180328578545
  • Full Formula: Mn8 Fe8 H32 N8 F48
  • Reduced Formula: MnFeH4NF6
  • Formula Anonymous: ABCD4E6
  • Spacegroup Number: 30
  • Spacegroup Symbol: Pnc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -615.52544902
  • Final energy per atom: -5.918513932884616
  • 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.