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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203210

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-1203210
  • 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: 84
  • Number of elements: 5
  • Element list: ['Zn', 'Te', 'H', 'Se', 'N']
  • Chemical System: H-N-Se-Te-Zn
  • Density: 2.670115104671094
  • Atomic Density: 0.06780491495029675
  • Unit Cell Volume: 1238.8482466436951
  • Molar Volume: 8.881569668532775
  • Full Formula: Zn4 Te4 H48 Se12 N16
  • Reduced Formula: ZnTeH12Se3N4
  • Formula Anonymous: ABC3D4E12
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -396.65434871
  • Final energy per atom: -4.722075579880952
  • 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.