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  1. Third-Parties
  2. MatprojStructure
  3. mp-707392

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-707392
  • 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: 45
  • Number of elements: 5
  • Element list: ['Mg', 'B', 'P', 'H', 'O']
  • Chemical System: B-H-Mg-O-P
  • Density: 2.150556765934608
  • Atomic Density: 0.11782749756974571
  • Unit Cell Volume: 381.91424691306133
  • Molar Volume: 5.110980784799668
  • Full Formula: Mg3 B2 P2 H18 O20
  • Reduced Formula: Mg3B2P2(H9O10)2
  • Formula Anonymous: A2B2C3D18E20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -277.51538606
  • Final energy per atom: -6.167008579111112
  • 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.