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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224648

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-1224648
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 5
  • Element list: ['H', 'Pt', 'Pb', 'I', 'O']
  • Chemical System: H-I-O-Pb-Pt
  • Density: 5.532794994601059
  • Atomic Density: 0.06574462671046138
  • Unit Cell Volume: 441.1006868700568
  • Molar Volume: 9.159898019531607
  • Full Formula: H2 Pt1 Pb1 I6 O19
  • Reduced Formula: H2PtPbI6O19
  • Formula Anonymous: ABC2D6E19
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -146.2287144
  • Final energy per atom: -5.042369462068965
  • 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.