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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220224

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-1220224
  • 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: 4
  • Element list: ['Pb', 'C', 'I', 'N']
  • Chemical System: C-I-N-Pb
  • Density: 3.8194337703041787
  • Atomic Density: 0.02564079578133912
  • Unit Cell Volume: 546.0048946760433
  • Molar Volume: 23.48655950991505
  • Full Formula: Pb2 C2 I6 N4
  • Reduced Formula: PbCI3N2
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -66.34960698
  • Final energy per atom: -4.739257641428572
  • 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.