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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198243

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-1198243
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Mg', 'Be', 'P', 'H', 'O']
  • Chemical System: Be-H-Mg-O-P
  • Density: 2.2515346835444707
  • Atomic Density: 0.11167539851560554
  • Unit Cell Volume: 716.3618940551243
  • Molar Volume: 5.392540201375207
  • Full Formula: Mg4 Be6 P6 H26 O38
  • Reduced Formula: Mg2Be3P3H13O19
  • Formula Anonymous: A2B3C3D13E19
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -510.89392638999993
  • Final energy per atom: -6.3861740798749995
  • 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.