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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225850

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-1225850
  • 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: 116
  • Number of elements: 3
  • Element list: ['K', 'Ga', 'Sb']
  • Chemical System: Ga-K-Sb
  • Density: 2.929664255087937
  • Atomic Density: 0.02487387456384584
  • Unit Cell Volume: 4663.5275779916465
  • Molar Volume: 24.210706476558254
  • Full Formula: K60 Ga18 Sb38
  • Reduced Formula: K30Ga9Sb19
  • Formula Anonymous: A9B19C30
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -336.43013618
  • Final energy per atom: -2.900259794655172
  • 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.