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  1. Third-Parties
  2. MatprojStructure
  3. mp-1022875

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-1022875
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Y', 'Mg', 'Zn']
  • Chemical System: Mg-Y-Zn
  • Density: 2.686343900389697
  • Atomic Density: 0.04311929017873814
  • Unit Cell Volume: 371.06362219036487
  • Molar Volume: 13.966233523411479
  • Full Formula: Y2 Mg12 Zn2
  • Reduced Formula: YMg6Zn
  • Formula Anonymous: ABC6
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -35.04034146
  • Final energy per atom: -2.19002134125
  • 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.