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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216135

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-1216135
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Y', 'Zr', 'Si']
  • Chemical System: Si-Y-Zr
  • Density: 4.689754844219152
  • Atomic Density: 0.04254137664820697
  • Unit Cell Volume: 376.10442492989625
  • Molar Volume: 14.155961171166801
  • Full Formula: Y8 Zr2 Si6
  • Reduced Formula: Y4ZrSi3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -112.36554785
  • Final energy per atom: -7.022846740625
  • 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.