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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202646

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-1202646
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Cu', 'H', 'C', 'Se', 'I']
  • Chemical System: C-Cu-H-I-Se
  • Density: 3.149544490034926
  • Atomic Density: 0.06966653672222872
  • Unit Cell Volume: 631.5801254113552
  • Molar Volume: 8.644237310103714
  • Full Formula: Cu4 H24 C8 Se4 I4
  • Reduced Formula: CuH6C2SeI
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -201.37460409
  • Final energy per atom: -4.5766955475
  • 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.