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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204540

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-1204540
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Ca', 'Cd', 'N', 'O']
  • Chemical System: Ca-Cd-N-O
  • Density: 2.1828568366134666
  • Atomic Density: 0.05907950051610214
  • Unit Cell Volume: 914.0226225386297
  • Molar Volume: 10.19328313102218
  • Full Formula: Ca3 Cd3 N12 O36
  • Reduced Formula: CaCd(NO3)4
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 154
  • Spacegroup Symbol: P3_221
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -332.64062926
  • Final energy per atom: -6.160011652962964
  • 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.