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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203751

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-1203751
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Dy', 'Mo', 'H', 'Se', 'O']
  • Chemical System: Dy-H-Mo-O-Se
  • Density: 4.886433436356867
  • Atomic Density: 0.07323280240175785
  • Unit Cell Volume: 710.064319466106
  • Molar Volume: 8.223283231689418
  • Full Formula: Dy4 Mo6 H4 Se4 O34
  • Reduced Formula: Dy2Mo3H2Se2O17
  • Formula Anonymous: A2B2C2D3E17
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -391.5935793
  • Final energy per atom: -7.53064575576923
  • 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.