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  1. Third-Parties
  2. MatprojStructure
  3. mp-1187412

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-1187412
  • 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: 5
  • Number of elements: 3
  • Element list: ['Th', 'Ni', 'H']
  • Chemical System: H-Ni-Th
  • Density: 10.154655417623786
  • Atomic Density: 0.08700295292367087
  • Unit Cell Volume: 57.46931376440271
  • Molar Volume: 6.921765937396773
  • Full Formula: Th1 Ni2 H2
  • Reduced Formula: Th(NiH)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -28.05083893
  • Final energy per atom: -5.610167786
  • 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.