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  1. Third-Parties
  2. MatprojStructure
  3. mp-707501

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-707501
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 188
  • Number of elements: 5
  • Element list: ['Cd', 'H', 'C', 'Br', 'N']
  • Chemical System: Br-C-Cd-H-N
  • Density: 2.270850474333187
  • Atomic Density: 0.07723894423461468
  • Unit Cell Volume: 2434.005304745578
  • Molar Volume: 7.796767316896046
  • Full Formula: Cd4 H96 C16 Br24 N48
  • Reduced Formula: CdH24C4(BrN2)6
  • Formula Anonymous: AB4C6D12E24
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1023.49105344
  • Final energy per atom: -5.444101348085106
  • 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.