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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246988

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-1246988
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 3
  • Element list: ['Si', 'Pb', 'N']
  • Chemical System: N-Pb-Si
  • Density: 5.889008768219022
  • Atomic Density: 0.07976933163500567
  • Unit Cell Volume: 1504.337538505082
  • Molar Volume: 7.549443672857937
  • Full Formula: Si40 Pb16 N64
  • Reduced Formula: Si5(PbN4)2
  • Formula Anonymous: A2B5C8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -919.13421487
  • Final energy per atom: -7.659451790583334
  • 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.