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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234872

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-1234872
  • Created at: Sept. 4, 2022, 2:47 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: 2.6693716179202918
  • Atomic Density: 0.07184951537394896
  • Unit Cell Volume: 487.12924252639044
  • Molar Volume: 8.38160247658886
  • Full Formula: Mg1 Ga4 P6 H6 O18
  • Reduced Formula: MgGa4P6(HO3)6
  • Formula Anonymous: AB4C6D6E18
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -222.80141699
  • Final energy per atom: -6.365754771142857
  • 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.