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  1. Third-Parties
  2. MatprojStructure
  3. mp-699393

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-699393
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 5
  • Element list: ['Yb', 'Si', 'H', 'C', 'N']
  • Chemical System: C-H-N-Si-Yb
  • Density: 0.9423048801366097
  • Atomic Density: 0.07112943077754723
  • Unit Cell Volume: 2305.6560161840684
  • Molar Volume: 8.466454313171523
  • Full Formula: Yb2 Si12 H108 C36 N6
  • Reduced Formula: YbSi6H54(C6N)3
  • Formula Anonymous: AB3C6D18E54
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -860.28193304
  • Final energy per atom: -5.24562154292683
  • 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.