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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200390

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-1200390
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 282
  • Number of elements: 5
  • Element list: ['Zn', 'Si', 'H', 'C', 'O']
  • Chemical System: C-H-O-Si-Zn
  • Density: 1.0558882441899096
  • Atomic Density: 0.08117813679071521
  • Unit Cell Volume: 3473.841740504863
  • Molar Volume: 7.418426928823999
  • Full Formula: Zn6 Si28 H180 C60 O8
  • Reduced Formula: Zn3Si14H90(C15O2)2
  • Formula Anonymous: A3B4C14D30E90
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1441.41927273
  • Final energy per atom: -5.111415860744681
  • 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.