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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213331

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-1213331
  • 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: 100
  • Number of elements: 6
  • Element list: ['Ga', 'P', 'H', 'N', 'O', 'F']
  • Chemical System: F-Ga-H-N-O-P
  • Density: 2.74741604647222
  • Atomic Density: 0.10302929854633563
  • Unit Cell Volume: 970.5976980424334
  • Molar Volume: 5.845075958943511
  • Full Formula: Ga8 P8 H36 N8 O36 F4
  • Reduced Formula: Ga2P2H9N2O9F
  • Formula Anonymous: AB2C2D2E9F9
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -615.6269636999999
  • Final energy per atom: -6.156269636999999
  • 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.