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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200481

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-1200481
  • 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: 224
  • Number of elements: 6
  • Element list: ['Yb', 'Si', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Si-Yb
  • Density: 1.2265679668781821
  • Atomic Density: 0.07815545741993121
  • Unit Cell Volume: 2866.082643422358
  • Molar Volume: 7.705336209143897
  • Full Formula: Yb4 Si16 H144 C48 N8 Cl4
  • Reduced Formula: YbSi4H36C12N2Cl
  • Formula Anonymous: ABC2D4E12F36
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1169.32683491
  • Final energy per atom: -5.2202090844196425
  • 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.