Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1199368

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-1199368
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 6
  • Element list: ['Zn', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-O-S-Zn
  • Density: 1.91455036923741
  • Atomic Density: 0.0899570186670767
  • Unit Cell Volume: 644.7523590644225
  • Molar Volume: 6.694464589013818
  • Full Formula: Zn2 H20 C4 S4 N16 O12
  • Reduced Formula: ZnH10C2S2(N4O3)2
  • Formula Anonymous: AB2C2D6E8F10
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -350.12089858
  • Final energy per atom: -6.036567216896552
  • 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.