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  1. Third-Parties
  2. MatprojStructure
  3. mp-646110

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-646110
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Y', 'In', 'Rh']
  • Chemical System: In-Rh-Y
  • Density: 5.659503734210683
  • Atomic Density: 0.03591673212410036
  • Unit Cell Volume: 2227.374130908738
  • Molar Volume: 16.76695067689386
  • Full Formula: Y56 In12 Rh12
  • Reduced Formula: Y14(InRh)3
  • Formula Anonymous: A3B3C14
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -523.85254225
  • Final energy per atom: -6.5481567781250005
  • 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.