Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1201551

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-1201551
  • 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: 72
  • Number of elements: 5
  • Element list: ['Zn', 'Sb', 'H', 'S', 'N']
  • Chemical System: H-N-S-Sb-Zn
  • Density: 2.6348396328834167
  • Atomic Density: 0.06497939653244232
  • Unit Cell Volume: 1108.0435313684777
  • Molar Volume: 9.2677696029284
  • Full Formula: Zn2 Sb8 H36 S14 N12
  • Reduced Formula: ZnSb4H18S7N6
  • Formula Anonymous: AB4C6D7E18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -351.9673932
  • Final energy per atom: -4.888436016666667
  • 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.