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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200564

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-1200564
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 110
  • Number of elements: 7
  • Element list: ['Zn', 'Si', 'Ge', 'H', 'C', 'Br', 'O']
  • Chemical System: Br-C-Ge-H-O-Si-Zn
  • Density: 1.1526304818312592
  • Atomic Density: 0.07491213956235893
  • Unit Cell Volume: 1468.3868414735769
  • Molar Volume: 8.038938408623352
  • Full Formula: Zn2 Si6 Ge2 H70 C26 Br2 O2
  • Reduced Formula: ZnSi3GeH35C13BrO
  • Formula Anonymous: ABCDE3F13G35
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -560.74061595
  • Final energy per atom: -5.097641963181818
  • 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.