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  1. Third-Parties
  2. MatprojStructure
  3. mp-722502

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-722502
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 4
  • Element list: ['Li', 'P', 'H', 'N']
  • Chemical System: H-Li-N-P
  • Density: 1.1716747214622172
  • Atomic Density: 0.08887002915430599
  • Unit Cell Volume: 1845.3915404398601
  • Molar Volume: 6.776346106001262
  • Full Formula: Li6 P22 H102 N34
  • Reduced Formula: Li3P11(H3N)17
  • Formula Anonymous: A3B11C17D51
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -827.93645424
  • Final energy per atom: -5.048393013658536
  • 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.