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  1. Third-Parties
  2. MatprojStructure
  3. mp-1004524

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-1004524
  • 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: 5
  • Number of elements: 3
  • Element list: ['H', 'Pb', 'I']
  • Chemical System: H-I-Pb
  • Density: 4.016735818865265
  • Atomic Density: 0.020536994036045572
  • Unit Cell Volume: 243.46308866936582
  • Molar Volume: 29.323379796625645
  • Full Formula: H1 Pb1 I3
  • Reduced Formula: HPbI3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -11.48992051
  • Final energy per atom: -2.297984102
  • 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.