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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204300

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-1204300
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 146
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Al', 'Si', 'H', 'O']
  • Chemical System: Al-Ca-H-Na-O-Si
  • Density: 2.1910321970855757
  • Atomic Density: 0.08268646632058012
  • Unit Cell Volume: 1765.706124554286
  • Molar Volume: 7.283103303328768
  • Full Formula: Na4 Ca4 Al12 Si18 H32 O76
  • Reduced Formula: Na2Ca2Al6Si9(H8O19)2
  • Formula Anonymous: A2B2C6D9E16F38
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1027.10251141
  • Final energy per atom: -7.034948708287671
  • 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.