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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204279

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-1204279
  • 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: 288
  • Number of elements: 6
  • Element list: ['Si', 'Te', 'H', 'Pd', 'C', 'Cl']
  • Chemical System: C-Cl-H-Pd-Si-Te
  • Density: 1.569475682305679
  • Atomic Density: 0.0709820711045198
  • Unit Cell Volume: 4057.362591969531
  • Molar Volume: 8.484030778888528
  • Full Formula: Si16 Te8 H176 Pd8 C64 Cl16
  • Reduced Formula: Si2TeH22Pd(C4Cl)2
  • Formula Anonymous: ABC2D2E8F22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1444.43306251
  • Final energy per atom: -5.015392578159722
  • 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.