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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182589

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-1182589
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Cr', 'H', 'C', 'N', 'O']
  • Chemical System: C-Cr-H-N-O
  • Density: 1.4398114217337497
  • Atomic Density: 0.07964087049932367
  • Unit Cell Volume: 426.91647877315376
  • Molar Volume: 7.56162096451613
  • Full Formula: Cr1 H12 C6 N3 O12
  • Reduced Formula: CrH12C6(NO4)3
  • Formula Anonymous: AB3C6D12E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -214.84407477
  • Final energy per atom: -6.318943375588235
  • 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.