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  1. Third-Parties
  2. MatprojStructure
  3. mp-562835

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-562835
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 8
  • Element list: ['Ga', 'Co', 'P', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-Co-Ga-H-N-O-P
  • Density: 1.478737143570802
  • Atomic Density: 0.07655232276802909
  • Unit Cell Volume: 940.5331856249004
  • Molar Volume: 7.866698935117165
  • Full Formula: Ga2 Co2 P2 H36 C18 N2 Cl4 O6
  • Reduced Formula: GaCoPH18C9NCl2O3
  • Formula Anonymous: ABCDE2F3G9H18
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -405.56545998
  • Final energy per atom: -5.632853610833333
  • 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.