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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103298

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-1103298
  • 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: 12
  • Number of elements: 4
  • Element list: ['Li', 'H', 'I', 'N']
  • Chemical System: H-I-Li-N
  • Density: 2.2220667459763073
  • Atomic Density: 0.05321561923938547
  • Unit Cell Volume: 225.49770483773057
  • Molar Volume: 11.316490996581221
  • Full Formula: Li2 H6 I2 N2
  • Reduced Formula: LiH3IN
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -53.53841931
  • Final energy per atom: -4.4615349425
  • 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.