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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-1204503
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 5
  • Element list: ['Cd', 'H', 'C', 'N', 'O']
  • Chemical System: C-Cd-H-N-O
  • Density: 1.64096457287064
  • Atomic Density: 0.08838147407934985
  • Unit Cell Volume: 1403.0089596454507
  • Molar Volume: 6.813804389133922
  • Full Formula: Cd4 H56 C32 N8 O24
  • Reduced Formula: CdH14C8(NO3)2
  • Formula Anonymous: AB2C6D8E14
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -756.00561025
  • Final energy per atom: -6.0968194375
  • 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.