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  1. Third-Parties
  2. MatprojStructure
  3. mp-7439

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-7439
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['K', 'Cu', 'P']
  • Chemical System: Cu-K-P
  • Density: 3.251785493159514
  • Atomic Density: 0.04235468264284238
  • Unit Cell Volume: 188.88112248320527
  • Molar Volume: 14.218358831258286
  • Full Formula: K3 Cu3 P2
  • Reduced Formula: K3Cu3P2
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -29.08727191
  • Final energy per atom: -3.63590898875
  • 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.