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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199187

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-1199187
  • 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: 54
  • Number of elements: 7
  • Element list: ['Zn', 'H', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-N-O-S-Zn
  • Density: 1.7651929732896685
  • Atomic Density: 0.08049010074915039
  • Unit Cell Volume: 670.8899541360059
  • Molar Volume: 7.481840256068467
  • Full Formula: Zn2 H24 C4 S4 N8 Cl4 O8
  • Reduced Formula: ZnH12C2S2N4(ClO2)2
  • Formula Anonymous: AB2C2D2E4F4G12
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -286.49606969
  • Final energy per atom: -5.305482772037037
  • 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.