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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201730

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-1201730
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Er', 'Al', 'Ni', 'H']
  • Chemical System: Al-Er-H-Ni
  • Density: 8.01615268093305
  • Atomic Density: 0.09497059337774179
  • Unit Cell Volume: 379.064705395821
  • Molar Volume: 6.341058369559906
  • Full Formula: Er6 Al4 Ni12 H14
  • Reduced Formula: Er3Al2Ni6H7
  • Formula Anonymous: A2B3C6D7
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -178.31175979
  • Final energy per atom: -4.953104438611111
  • 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.