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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204899

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-1204899
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['Zn', 'Sb', 'H', 'Se', 'N']
  • Chemical System: H-N-Sb-Se-Zn
  • Density: 2.858455688822579
  • Atomic Density: 0.0618442408327985
  • Unit Cell Volume: 1228.8937332980265
  • Molar Volume: 9.73759347500344
  • Full Formula: Zn6 Sb4 H36 Se12 N18
  • Reduced Formula: Zn3Sb2H18(Se2N3)3
  • Formula Anonymous: A2B3C6D9E18
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -348.25993221
  • Final energy per atom: -4.582367529078947
  • 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.