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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202559

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-1202559
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 248
  • Number of elements: 7
  • Element list: ['Ga', 'P', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-Ga-H-N-O-P
  • Density: 1.9866506545356952
  • Atomic Density: 0.09761629704311203
  • Unit Cell Volume: 2540.559389283854
  • Molar Volume: 6.169196069115728
  • Full Formula: Ga12 P16 H112 C28 N14 O64 F2
  • Reduced Formula: Ga6P8H56C14N7O32F
  • Formula Anonymous: AB6C7D8E14F32G56
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1490.44740552
  • Final energy per atom: -6.009868570645161
  • 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.