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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246630

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-1246630
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ca', 'Pt', 'N']
  • Chemical System: Ca-N-Pt
  • Density: 4.014081792306351
  • Atomic Density: 0.06046902589647621
  • Unit Cell Volume: 463.04698289561304
  • Molar Volume: 9.959050391038193
  • Full Formula: Ca14 Pt2 N12
  • Reduced Formula: Ca7PtN6
  • Formula Anonymous: AB6C7
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -161.09802854
  • Final energy per atom: -5.753501019285714
  • 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.