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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216219

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-1216219
  • 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: 156
  • Number of elements: 6
  • Element list: ['Zn', 'Cr', 'H', 'S', 'N', 'O']
  • Chemical System: Cr-H-N-O-S-Zn
  • Density: 1.8603189774526925
  • Atomic Density: 0.10968280988853732
  • Unit Cell Volume: 1422.2830374106159
  • Molar Volume: 5.490505546055816
  • Full Formula: Zn3 Cr1 H80 S8 N8 O56
  • Reduced Formula: Zn3CrH80S8(NO7)8
  • Formula Anonymous: AB3C8D8E56F80
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -864.01267921
  • Final energy per atom: -5.538542815448718
  • 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.