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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104149

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-1104149
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['K', 'Pt', 'N', 'Cl', 'O']
  • Chemical System: Cl-K-N-O-Pt
  • Density: 3.4210697753663424
  • Atomic Density: 0.03891948674018534
  • Unit Cell Volume: 359.7169740048152
  • Molar Volume: 15.473330365844701
  • Full Formula: K2 Pt2 N2 Cl6 O2
  • Reduced Formula: KPtNCl3O
  • Formula Anonymous: ABCDE3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -55.8366487
  • Final energy per atom: -3.98833205
  • 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.