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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196495

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-1196495
  • 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: 56
  • Number of elements: 4
  • Element list: ['Zn', 'Te', 'H', 'N']
  • Chemical System: H-N-Te-Zn
  • Density: 2.725515361060264
  • Atomic Density: 0.0893771792742469
  • Unit Cell Volume: 626.5581489002732
  • Molar Volume: 6.737895298218721
  • Full Formula: Zn4 Te4 H32 N16
  • Reduced Formula: ZnTe(H2N)4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -274.19757592
  • Final energy per atom: -4.8963852842857145
  • 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.