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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215246

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-1215246
  • 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: 12
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'Rh']
  • Chemical System: Rh-Ti-Zr
  • Density: 7.515379974475256
  • Atomic Density: 0.05610660826104794
  • Unit Cell Volume: 213.87854963835
  • Molar Volume: 10.733389428889923
  • Full Formula: Zr4 Ti4 Rh4
  • Reduced Formula: ZrTiRh
  • Formula Anonymous: ABC
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -101.5758833
  • Final energy per atom: -8.464656941666666
  • 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.