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  1. Third-Parties
  2. MatprojStructure
  3. mp-1187731

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-1187731
  • 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: 4
  • Number of elements: 3
  • Element list: ['Y', 'Zn', 'Hg']
  • Chemical System: Hg-Y-Zn
  • Density: 7.45453928327301
  • Atomic Density: 0.04046075038779677
  • Unit Cell Volume: 98.86124112039272
  • Molar Volume: 14.883907743382625
  • Full Formula: Y2 Zn1 Hg1
  • Reduced Formula: Y2ZnHg
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -16.19991089
  • Final energy per atom: -4.0499777225
  • 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.