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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190717

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-1190717
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Mg', 'P', 'H', 'O']
  • Chemical System: H-Mg-O-P
  • Density: 1.6718017283135518
  • Atomic Density: 0.11377328222594386
  • Unit Cell Volume: 210.94583482559713
  • Molar Volume: 5.293106291897734
  • Full Formula: Mg1 P1 H13 O9
  • Reduced Formula: MgPH13O9
  • Formula Anonymous: ABC9D13
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -133.16626431
  • Final energy per atom: -5.54859434625
  • 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.