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  1. Third-Parties
  2. MatprojStructure
  3. mp-505381

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-505381
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'H', 'N']
  • Chemical System: H-Li-N-Na
  • Density: 1.1704179305778035
  • Atomic Density: 0.10451484309388961
  • Unit Cell Volume: 153.088303310436
  • Molar Volume: 5.761995695281373
  • Full Formula: Na1 Li3 H8 N4
  • Reduced Formula: NaLi3(H2N)4
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -76.50197666
  • Final energy per atom: -4.78137354125
  • 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.