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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202629

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-1202629
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 5
  • Element list: ['Cd', 'H', 'N', 'O', 'F']
  • Chemical System: Cd-F-H-N-O
  • Density: 1.7100511130847345
  • Atomic Density: 0.11416776411396205
  • Unit Cell Volume: 788.3135900792641
  • Molar Volume: 5.274817113864743
  • Full Formula: Cd3 H60 N18 O3 F6
  • Reduced Formula: CdH20N6OF2
  • Formula Anonymous: ABC2D6E20
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -450.9816390200001
  • Final energy per atom: -5.010907100222223
  • 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.