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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204200

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-1204200
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 4
  • Element list: ['Si', 'Ge', 'H', 'C']
  • Chemical System: C-Ge-H-Si
  • Density: 1.1151798266366888
  • Atomic Density: 0.08332722435683416
  • Unit Cell Volume: 1176.0862161966688
  • Molar Volume: 7.227098714114421
  • Full Formula: Si6 Ge4 H66 C22
  • Reduced Formula: Si3Ge2(H3C)11
  • Formula Anonymous: A2B3C11D33
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -496.00287191
  • Final energy per atom: -5.061253795
  • 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.