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  1. Third-Parties
  2. MatprojStructure
  3. mp-7147

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-7147
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['K', 'Cr', 'P', 'S']
  • Chemical System: Cr-K-P-S
  • Density: 2.2761456109175286
  • Atomic Density: 0.039942037223943946
  • Unit Cell Volume: 275.39907236894413
  • Molar Volume: 15.077199808901895
  • Full Formula: K1 Cr1 P2 S7
  • Reduced Formula: KCrP2S7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -60.13119257
  • Final energy per atom: -5.466472051818182
  • 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.