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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215287

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-1215287
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Zr', 'Ti', 'Ni', 'H']
  • Chemical System: H-Ni-Ti-Zr
  • Density: 6.475092948967037
  • Atomic Density: 0.09051034714559782
  • Unit Cell Volume: 66.29076331293051
  • Molar Volume: 6.653538462638524
  • Full Formula: Zr1 Ti1 Ni2 H2
  • Reduced Formula: ZrTi(NiH)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -37.19928879
  • Final energy per atom: -6.199881465
  • 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.