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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205154

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-1205154
  • 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: 102
  • Number of elements: 7
  • Element list: ['Ga', 'Si', 'P', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-Ga-H-N-P-Si
  • Density: 1.2322856152015151
  • Atomic Density: 0.07492634927735689
  • Unit Cell Volume: 1361.3368458994826
  • Molar Volume: 8.037413831157954
  • Full Formula: Ga2 Si6 P2 H60 C20 N4 Cl8
  • Reduced Formula: GaSi3PH30C10(NCl2)2
  • Formula Anonymous: ABC2D3E4F10G30
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -522.86133344
  • Final energy per atom: -5.126091504313725
  • 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.