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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211816

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-1211816
  • 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: 40
  • Number of elements: 4
  • Element list: ['K', 'In', 'P', 'Se']
  • Chemical System: In-K-P-Se
  • Density: 3.8872915501764256
  • Atomic Density: 0.033945777514801996
  • Unit Cell Volume: 1178.3497957163618
  • Molar Volume: 17.74047083580294
  • Full Formula: K4 In4 P8 Se24
  • Reduced Formula: KIn(PSe3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -170.99137703
  • Final energy per atom: -4.27478442575
  • 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.