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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200272

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-1200272
  • 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: 166
  • Number of elements: 6
  • Element list: ['Li', 'Yb', 'Si', 'H', 'C', 'N']
  • Chemical System: C-H-Li-N-Si-Yb
  • Density: 1.1568842797511147
  • Atomic Density: 0.08746382446076999
  • Unit Cell Volume: 1897.927526304955
  • Molar Volume: 6.885293202221109
  • Full Formula: Li2 Yb2 Si12 H108 C36 N6
  • Reduced Formula: LiYbSi6H54(C6N)3
  • Formula Anonymous: ABC3D6E18F54
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -869.4886110000001
  • Final energy per atom: -5.237883198795181
  • 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.