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  1. Third-Parties
  2. MatprojStructure
  3. mp-568604

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-568604
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['K', 'Hg', 'C', 'I', 'N']
  • Chemical System: C-Hg-I-K-N
  • Density: 3.816658708391137
  • Atomic Density: 0.038433013831191076
  • Unit Cell Volume: 364.27015746129234
  • Molar Volume: 15.669186877851907
  • Full Formula: K2 Hg2 C4 I2 N4
  • Reduced Formula: KHgC2IN2
  • Formula Anonymous: ABCD2E2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -79.05969662
  • Final energy per atom: -5.647121187142857
  • 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.