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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203506

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-1203506
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 156
  • Number of elements: 4
  • Element list: ['Mg', 'H', 'Se', 'O']
  • Chemical System: H-Mg-O-Se
  • Density: 2.1786972423754616
  • Atomic Density: 0.10302694701752069
  • Unit Cell Volume: 1514.166968118261
  • Molar Volume: 5.845209369327307
  • Full Formula: Mg8 H72 Se8 O68
  • Reduced Formula: Mg2H18Se2O17
  • Formula Anonymous: A2B2C17D18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -849.24734975
  • Final energy per atom: -5.443893267628205
  • 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.