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  1. Third-Parties
  2. MatprojStructure
  3. mp-699136

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-699136
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'H', 'C', 'O']
  • Chemical System: Al-C-H-Na-O
  • Density: 2.3768384400654963
  • Atomic Density: 0.0994039154134986
  • Unit Cell Volume: 201.19931812347997
  • Molar Volume: 6.058253072778077
  • Full Formula: Na2 Al2 H4 C2 O10
  • Reduced Formula: NaAlH2CO5
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -135.29548375000002
  • Final energy per atom: -6.7647741875000005
  • 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.