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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198640

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-1198640
  • 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: 39
  • Number of elements: 4
  • Element list: ['Mg', 'Hg', 'N', 'O']
  • Chemical System: Hg-Mg-N-O
  • Density: 4.207978121250585
  • Atomic Density: 0.05719762800544781
  • Unit Cell Volume: 681.8464569244975
  • Molar Volume: 10.528654718734876
  • Full Formula: Mg1 Hg6 N6 O26
  • Reduced Formula: MgHg6(N3O13)2
  • Formula Anonymous: AB6C6D26
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -197.81988964
  • Final energy per atom: -5.072304862564103
  • 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.