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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210794

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-1210794
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Al', 'H', 'O']
  • Chemical System: Al-Ca-H-Na-O
  • Density: 1.757072015117872
  • Atomic Density: 0.06051721397989136
  • Unit Cell Volume: 1288.8894724386653
  • Molar Volume: 9.951120291163823
  • Full Formula: Na4 Ca2 Al20 H12 O40
  • Reduced Formula: Na2CaAl10(H3O10)2
  • Formula Anonymous: AB2C6D10E20
  • Spacegroup Number: 53
  • Spacegroup Symbol: Pmna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -471.17304664
  • Final energy per atom: -6.040680085128205
  • 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.