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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223703

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-1223703
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['K', 'Rb', 'Zn', 'Sn', 'Se']
  • Chemical System: K-Rb-Se-Sn-Zn
  • Density: 3.3841677378926867
  • Atomic Density: 0.026258321227308843
  • Unit Cell Volume: 990.1623098798797
  • Molar Volume: 22.9342184820899
  • Full Formula: K3 Rb3 Zn4 Sn3 Se13
  • Reduced Formula: K3Rb3Zn4Sn3Se13
  • Formula Anonymous: A3B3C3D4E13
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -96.22593856
  • Final energy per atom: -3.700997636923077
  • 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.