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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214090

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-1214090
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'H']
  • Chemical System: Al-Ca-H
  • Density: 1.5155780701240904
  • Atomic Density: 0.0983278637490338
  • Unit Cell Volume: 335.61188804251094
  • Molar Volume: 6.12455160764049
  • Full Formula: Ca3 Al6 H24
  • Reduced Formula: Ca(AlH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -119.06591919
  • Final energy per atom: -3.6080581572727275
  • 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.