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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199124

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-1199124
  • 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: 192
  • Number of elements: 7
  • Element list: ['Na', 'Al', 'H', 'S', 'N', 'Cl', 'O']
  • Chemical System: Al-Cl-H-N-Na-O-S
  • Density: 2.0767335962899813
  • Atomic Density: 0.09958222876789767
  • Unit Cell Volume: 1928.0548585381234
  • Molar Volume: 6.047405078707535
  • Full Formula: Na4 Al8 H72 S16 N16 Cl4 O72
  • Reduced Formula: NaAl2H18S4N4ClO18
  • Formula Anonymous: ABC2D4E4F18G18
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -1135.0134415599998
  • Final energy per atom: -5.911528341458332
  • 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.