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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225759

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-1225759
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Dy', 'P', 'H', 'O']
  • Chemical System: Dy-H-O-P
  • Density: 2.5187380898940277
  • Atomic Density: 0.06382892843251609
  • Unit Cell Volume: 470.00632372698954
  • Molar Volume: 9.43481413191353
  • Full Formula: Dy2 P6 H10 O12
  • Reduced Formula: DyP3H5O6
  • Formula Anonymous: AB3C5D6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -189.74611515
  • Final energy per atom: -6.324870505000001
  • 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.