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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211139

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-1211139
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'H', 'Cl', 'O']
  • Chemical System: Al-Cl-H-Na-O
  • Density: 1.4310943854980538
  • Atomic Density: 0.055864325510328806
  • Unit Cell Volume: 823.4235279811088
  • Molar Volume: 10.779939979560947
  • Full Formula: Na2 Al4 H16 Cl8 O16
  • Reduced Formula: NaAl2H8(ClO2)4
  • Formula Anonymous: AB2C4D8E8
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -186.29906320000003
  • Final energy per atom: -4.049979634782609
  • 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.