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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205496

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-1205496
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Y', 'Mg', 'Si']
  • Chemical System: Mg-Si-Y
  • Density: 3.9425253418101933
  • Atomic Density: 0.04596123347424785
  • Unit Cell Volume: 217.57466551899688
  • Molar Volume: 13.102652615653177
  • Full Formula: Y4 Mg2 Si4
  • Reduced Formula: Y2MgSi2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -57.81067395
  • Final energy per atom: -5.781067395
  • 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.