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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200140

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-1200140
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 138
  • Number of elements: 6
  • Element list: ['Si', 'Te', 'H', 'Pd', 'C', 'Cl']
  • Chemical System: C-Cl-H-Pd-Si-Te
  • Density: 1.4495056773073474
  • Atomic Density: 0.07708198063054063
  • Unit Cell Volume: 1790.3016875168755
  • Molar Volume: 7.812644032675477
  • Full Formula: Si8 Te4 H88 Pd2 C32 Cl4
  • Reduced Formula: Si4Te2H44Pd(C8Cl)2
  • Formula Anonymous: AB2C2D4E16F44
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -698.28894609
  • Final energy per atom: -5.06006482673913
  • 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.