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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193131

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-1193131
  • Created at: Sept. 4, 2022, 2:45 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: ['Cs', 'Pb', 'N', 'Cl', 'O']
  • Chemical System: Cl-Cs-N-O-Pb
  • Density: 4.020095591803303
  • Atomic Density: 0.04711962526885827
  • Unit Cell Volume: 551.7870707088073
  • Molar Volume: 12.780536189832732
  • Full Formula: Cs4 Pb2 N4 Cl4 O12
  • Reduced Formula: Cs2PbN2(ClO3)2
  • Formula Anonymous: AB2C2D2E6
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -149.36995824
  • Final energy per atom: -5.744998393846154
  • 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.