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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216012

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-1216012
  • 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: 12
  • Number of elements: 3
  • Element list: ['Y', 'Th', 'Re']
  • Chemical System: Re-Th-Y
  • Density: 15.197631556509632
  • Atomic Density: 0.051524501044626164
  • Unit Cell Volume: 232.8989074461219
  • Molar Volume: 11.68791669575632
  • Full Formula: Y2 Th2 Re8
  • Reduced Formula: YThRe4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -129.08733892
  • Final energy per atom: -10.757278243333333
  • 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.