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  1. Third-Parties
  2. MatprojStructure
  3. mp-24076

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-24076
  • Created at: Sept. 4, 2022, 2:46 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: 3.730480494844786
  • Atomic Density: 0.11238529576064685
  • Unit Cell Volume: 124.5714566593887
  • Molar Volume: 5.358477476293415
  • Full Formula: Y2 H6 O6
  • Reduced Formula: Y(HO)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -94.19897716
  • Final energy per atom: -6.728498368571429
  • 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.