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  1. Third-Parties
  2. MatprojStructure
  3. mp-673310

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-673310
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Y', 'H', 'O']
  • Chemical System: H-O-Y
  • Density: 3.6818911143216853
  • Atomic Density: 0.11092148113717902
  • Unit Cell Volume: 126.21540802079531
  • Molar Volume: 5.429192522729017
  • Full Formula: Y2 H6 O6
  • Reduced Formula: Y(HO)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -94.11567186
  • Final energy per atom: -6.722547990000001
  • 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.