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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207565

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-1207565
  • 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: 68
  • Number of elements: 5
  • Element list: ['Zn', 'H', 'C', 'S', 'N']
  • Chemical System: C-H-N-S-Zn
  • Density: 2.027914959749511
  • Atomic Density: 0.057053991090636164
  • Unit Cell Volume: 1191.8535180470542
  • Molar Volume: 10.555161251442001
  • Full Formula: Zn4 H8 C16 S24 N16
  • Reduced Formula: ZnH2C4(S3N2)2
  • Formula Anonymous: AB2C4D4E6
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -424.77210213
  • Final energy per atom: -6.246648560735294
  • 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.