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  1. Third-Parties
  2. MatprojStructure
  3. mp-697957

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-697957
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 6
  • Element list: ['Zn', 'H', 'C', 'I', 'N', 'O']
  • Chemical System: C-H-I-N-O-Zn
  • Density: 2.553470334154052
  • Atomic Density: 0.06650372659613413
  • Unit Cell Volume: 1142.7931018292425
  • Molar Volume: 9.055343314174621
  • Full Formula: Zn4 H32 C8 I8 N16 O8
  • Reduced Formula: ZnH8C2I2(N2O)2
  • Formula Anonymous: AB2C2D2E4F8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -423.63346319
  • Final energy per atom: -5.5741245156578945
  • 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.