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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233483

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-1233483
  • 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: 35
  • Number of elements: 5
  • Element list: ['Mg', 'Ga', 'P', 'H', 'O']
  • Chemical System: Ga-H-Mg-O-P
  • Density: 2.875738875639055
  • Atomic Density: 0.07740415128773605
  • Unit Cell Volume: 452.17213053462444
  • Molar Volume: 7.78012633665315
  • Full Formula: Mg1 Ga4 P6 H6 O18
  • Reduced Formula: MgGa4P6(HO3)6
  • Formula Anonymous: AB4C6D6E18
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -226.86909198
  • Final energy per atom: -6.4819740565714286
  • 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.