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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198883

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-1198883
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 5
  • Element list: ['Zn', 'H', 'C', 'Se', 'N']
  • Chemical System: C-H-N-Se-Zn
  • Density: 2.514671272902838
  • Atomic Density: 0.06489721815880739
  • Unit Cell Volume: 2342.16510834173
  • Molar Volume: 9.279505240522731
  • Full Formula: Zn8 H80 C16 Se32 N16
  • Reduced Formula: ZnH10C2(Se2N)2
  • Formula Anonymous: AB2C2D4E10
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -730.9150155800002
  • Final energy per atom: -4.808651418289474
  • 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.