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  1. Third-Parties
  2. MatprojStructure
  3. mp-859133

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-859133
  • 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: 42
  • Number of elements: 4
  • Element list: ['Li', 'H', 'N', 'O']
  • Chemical System: H-Li-N-O
  • Density: 1.5785520617224034
  • Atomic Density: 0.09935418876290385
  • Unit Cell Volume: 422.73003808855674
  • Molar Volume: 6.061285221070119
  • Full Formula: Li6 H12 N18 O6
  • Reduced Formula: LiH2N3O
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -260.05662502
  • Final energy per atom: -6.191824405238096
  • 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.