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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203875

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-1203875
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 4
  • Element list: ['Zn', 'Te', 'H', 'N']
  • Chemical System: H-N-Te-Zn
  • Density: 4.175215212637528
  • Atomic Density: 0.05648820904773284
  • Unit Cell Volume: 1734.8753244626585
  • Molar Volume: 10.660881025474284
  • Full Formula: Zn4 Te30 H48 N16
  • Reduced Formula: Zn2Te15(H3N)8
  • Formula Anonymous: A2B8C15D24
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -439.57414323
  • Final energy per atom: -4.485450441122449
  • 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.