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  1. Third-Parties
  2. MatprojStructure
  3. mp-643666

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-643666
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['In', 'H', 'N', 'O', 'F']
  • Chemical System: F-H-In-N-O
  • Density: 3.1903059118320303
  • Atomic Density: 0.10207752424135831
  • Unit Cell Volume: 235.11542015118764
  • Molar Volume: 5.899575645820801
  • Full Formula: In2 H10 N2 O2 F8
  • Reduced Formula: InH5NOF4
  • Formula Anonymous: ABCD4E5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -121.91610659
  • Final energy per atom: -5.079837774583333
  • 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.