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  1. Third-Parties
  2. MatprojStructure
  3. mp-745208

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-745208
  • 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: 6
  • Element list: ['Dy', 'Fe', 'H', 'C', 'N', 'O']
  • Chemical System: C-Dy-Fe-H-N-O
  • Density: 2.2840745204678434
  • Atomic Density: 0.08009452388867515
  • Unit Cell Volume: 649.2328997707228
  • Molar Volume: 7.51879213161974
  • Full Formula: Dy2 Fe2 H16 C12 N12 O8
  • Reduced Formula: DyFeH8C6(N3O2)2
  • Formula Anonymous: ABC4D6E6F8
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -362.33029755
  • Final energy per atom: -6.9678903375
  • 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.