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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202909

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-1202909
  • 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: 33
  • Number of elements: 3
  • Element list: ['Zn', 'I', 'N']
  • Chemical System: I-N-Zn
  • Density: 4.275829833898087
  • Atomic Density: 0.03208269713342746
  • Unit Cell Volume: 1028.5918251435535
  • Molar Volume: 18.77068107757511
  • Full Formula: Zn3 I18 N12
  • Reduced Formula: Zn(I3N2)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -86.92083069
  • Final energy per atom: -2.6339645663636366
  • 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.