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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212382

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-1212382
  • 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: 48
  • Number of elements: 4
  • Element list: ['K', 'Tc', 'Cl', 'O']
  • Chemical System: Cl-K-O-Tc
  • Density: 2.575812666634892
  • Atomic Density: 0.0384840940461386
  • Unit Cell Volume: 1247.2685453489635
  • Molar Volume: 15.648389053358128
  • Full Formula: K9 Tc6 Cl24 O9
  • Reduced Formula: K3Tc2Cl8O3
  • Formula Anonymous: A2B3C3D8
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -223.14611596000003
  • Final energy per atom: -4.648877415833334
  • 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.