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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199218

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-1199218
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 248
  • Number of elements: 4
  • Element list: ['Li', 'As', 'H', 'N']
  • Chemical System: As-H-Li-N
  • Density: 1.6714571053581952
  • Atomic Density: 0.08140082649111402
  • Unit Cell Volume: 3046.652112642523
  • Molar Volume: 7.3981322052760685
  • Full Formula: Li12 As28 H156 N52
  • Reduced Formula: Li3As7(H3N)13
  • Formula Anonymous: A3B7C13D39
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1222.29265083
  • Final energy per atom: -4.928599398508064
  • 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.