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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193857

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-1193857
  • 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: 30
  • Number of elements: 5
  • Element list: ['P', 'H', 'Pb', 'N', 'O']
  • Chemical System: H-N-O-P-Pb
  • Density: 4.684365641839461
  • Atomic Density: 0.06842750417328357
  • Unit Cell Volume: 438.4201990478709
  • Molar Volume: 8.800760502311656
  • Full Formula: P2 H2 Pb4 N4 O18
  • Reduced Formula: PHPb2N2O9
  • Formula Anonymous: ABC2D2E9
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -197.29505162
  • Final energy per atom: -6.576501720666667
  • 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.