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  1. Third-Parties
  2. MatprojStructure
  3. mp-732235

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-732235
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Ca', 'Y', 'Si', 'O']
  • Chemical System: Ca-O-Si-Y
  • Density: 3.951569130139417
  • Atomic Density: 0.07819083378628652
  • Unit Cell Volume: 537.1473607097685
  • Molar Volume: 7.701850035849332
  • Full Formula: Ca4 Y6 Si6 O26
  • Reduced Formula: Ca2Y3Si3O13
  • Formula Anonymous: A2B3C3D13
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -356.90317797
  • Final energy per atom: -8.497694713571429
  • 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.