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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204018

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-1204018
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 6
  • Element list: ['Zn', 'H', 'C', 'S', 'I', 'N']
  • Chemical System: C-H-I-N-S-Zn
  • Density: 2.298755096777529
  • Atomic Density: 0.05578952579666481
  • Unit Cell Volume: 1362.2628784656815
  • Molar Volume: 10.794393166109352
  • Full Formula: Zn4 H32 C8 S8 I8 N16
  • Reduced Formula: ZnH8C2S2(IN2)2
  • Formula Anonymous: AB2C2D2E4F8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -402.68028337
  • Final energy per atom: -5.2984247811842105
  • 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.