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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199767

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-1199767
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 91
  • Number of elements: 6
  • Element list: ['Mg', 'B', 'H', 'C', 'N', 'O']
  • Chemical System: B-C-H-Mg-N-O
  • Density: 0.9822188517521772
  • Atomic Density: 0.07771412546100279
  • Unit Cell Volume: 1170.95829696577
  • Molar Volume: 7.749094163096426
  • Full Formula: Mg1 B2 H42 C26 N14 O6
  • Reduced Formula: MgB2H42C26(N7O3)2
  • Formula Anonymous: AB2C6D14E26F42
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -568.85751606
  • Final energy per atom: -6.251181495164835
  • 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.