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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224643

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-1224643
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Hg', 'I', 'N']
  • Chemical System: Hg-I-N
  • Density: 3.402095706830949
  • Atomic Density: 0.017207753478777513
  • Unit Cell Volume: 1162.2667668191662
  • Molar Volume: 34.996670352275586
  • Full Formula: Hg4 I12 N4
  • Reduced Formula: HgI3N
  • Formula Anonymous: ABC3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -47.00800846
  • Final energy per atom: -2.350400423
  • 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.