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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198682

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-1198682
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 6
  • Element list: ['Ga', 'P', 'H', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-Ga-H-O-P
  • Density: 1.5097439516684472
  • Atomic Density: 0.06102879273479825
  • Unit Cell Volume: 589.8855013639
  • Molar Volume: 9.867704226379383
  • Full Formula: Ga2 P2 H18 C6 Cl6 O2
  • Reduced Formula: GaPH9C3Cl3O
  • Formula Anonymous: ABCD3E3F9
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -181.47083294
  • Final energy per atom: -5.040856470555556
  • 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.