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  1. Third-Parties
  2. MatprojStructure
  3. mp-28123

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-28123
  • 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: 24
  • Number of elements: 3
  • Element list: ['H', 'N', 'F']
  • Chemical System: F-H-N
  • Density: 1.4833224654034918
  • Atomic Density: 0.1104449375448993
  • Unit Cell Volume: 217.3028527472638
  • Molar Volume: 5.452618194973231
  • Full Formula: H14 N2 F8
  • Reduced Formula: H7NF4
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -114.67749507
  • Final energy per atom: -4.77822896125
  • 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.