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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233034

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-1233034
  • 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: 23
  • Number of elements: 6
  • Element list: ['Ba', 'Mg', 'Al', 'P', 'H', 'O']
  • Chemical System: Al-Ba-H-Mg-O-P
  • Density: 3.484244003100701
  • Atomic Density: 0.09096535667609176
  • Unit Cell Volume: 252.84350922624418
  • Molar Volume: 6.620257403533918
  • Full Formula: Ba1 Mg1 Al3 P2 H2 O14
  • Reduced Formula: BaMgAl3P2(HO7)2
  • Formula Anonymous: ABC2D2E3F14
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -162.87484389
  • Final energy per atom: -7.0815149517391305
  • 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.