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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225237

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-1225237
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 6
  • Element list: ['Ga', 'P', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-Ga-N-O-P
  • Density: 1.8608901812246477
  • Atomic Density: 0.05558969148207843
  • Unit Cell Volume: 611.624189548907
  • Molar Volume: 10.833196946130702
  • Full Formula: Ga2 P4 C6 N4 O16 F2
  • Reduced Formula: GaP2C3N2O8F
  • Formula Anonymous: ABC2D2E3F8
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -233.50836959
  • Final energy per atom: -6.867893223235294
  • 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.