Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1224531

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-1224531
  • 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: 38
  • Number of elements: 4
  • Element list: ['Ho', 'Al', 'Ni', 'H']
  • Chemical System: Al-H-Ho-Ni
  • Density: 8.124200348380652
  • Atomic Density: 0.10226611944827467
  • Unit Cell Volume: 371.57956325134717
  • Molar Volume: 5.888695877470885
  • Full Formula: Ho6 Al4 Ni12 H16
  • Reduced Formula: Ho3Al2(Ni3H4)2
  • Formula Anonymous: A2B3C6D8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -185.42852834
  • Final energy per atom: -4.879698114210527
  • 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.