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  1. Third-Parties
  2. MatprojStructure
  3. mp-722329

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-722329
  • 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: 36
  • Number of elements: 4
  • Element list: ['H', 'C', 'I', 'N']
  • Chemical System: C-H-I-N
  • Density: 1.7423713104726712
  • Atomic Density: 0.09394240229526209
  • Unit Cell Volume: 383.2135342552937
  • Molar Volume: 6.41046067895128
  • Full Formula: H24 C8 I2 N2
  • Reduced Formula: H12C4IN
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -183.11023495
  • Final energy per atom: -5.086395415277778
  • 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.