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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193676

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-1193676
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Cs', 'Sm', 'N']
  • Chemical System: Cs-N-Sm
  • Density: 3.8106454477826
  • Atomic Density: 0.038919043913096564
  • Unit Cell Volume: 719.4421338438322
  • Molar Volume: 15.473506423865418
  • Full Formula: Cs6 Sm4 N18
  • Reduced Formula: Cs3Sm2N9
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -136.35031453
  • Final energy per atom: -4.869654090357143
  • 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.