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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198421

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-1198421
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 288
  • Number of elements: 6
  • Element list: ['Na', 'Mg', 'Al', 'H', 'C', 'O']
  • Chemical System: Al-C-H-Mg-Na-O
  • Density: 1.6125834825917533
  • Atomic Density: 0.0931398596533074
  • Unit Cell Volume: 3092.124049488764
  • Molar Volume: 6.465696622709216
  • Full Formula: Na6 Mg6 Al6 H108 C36 O126
  • Reduced Formula: NaMgAlH18(C2O7)3
  • Formula Anonymous: ABCD6E18F21
  • Spacegroup Number: 158
  • Spacegroup Symbol: P3c1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -1821.87550462
  • Final energy per atom: -6.325956613263888
  • 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.