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  1. Third-Parties
  2. MatprojStructure
  3. mp-759690

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-759690
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Mn', 'H', 'N', 'F']
  • Chemical System: F-H-Mn-N
  • Density: 2.3301551354508425
  • Atomic Density: 0.11636420122565254
  • Unit Cell Volume: 292.1860816460852
  • Molar Volume: 5.175252093486993
  • Full Formula: Mn2 H16 N4 F12
  • Reduced Formula: MnH8(NF3)2
  • Formula Anonymous: AB2C6D8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -180.74338224
  • Final energy per atom: -5.315981830588235
  • 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.