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  1. Third-Parties
  2. MatprojStructure
  3. mp-1232356

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-1232356
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['H', 'Pb', 'C', 'I', 'N']
  • Chemical System: C-H-I-N-Pb
  • Density: 4.197937380298101
  • Atomic Density: 0.040066749914067216
  • Unit Cell Volume: 998.3340322284594
  • Molar Volume: 15.030270168945398
  • Full Formula: H12 Pb4 C4 I12 N8
  • Reduced Formula: H3PbCI3N2
  • Formula Anonymous: ABC2D3E3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -190.89989652
  • Final energy per atom: -4.772497413
  • 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.