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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214966

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-1214966
  • 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: 48
  • Number of elements: 5
  • Element list: ['Co', 'Pt', 'Br', 'N', 'Cl']
  • Chemical System: Br-Cl-Co-N-Pt
  • Density: 2.8436027863207256
  • Atomic Density: 0.030259012736780368
  • Unit Cell Volume: 1586.3042333055087
  • Molar Volume: 19.90197371072844
  • Full Formula: Co4 Pt4 Br16 N20 Cl4
  • Reduced Formula: CoPtBr4N5Cl
  • Formula Anonymous: ABCD4E5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -234.67961935
  • Final energy per atom: -4.8891587364583335
  • 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.