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  1. Third-Parties
  2. MatprojStructure
  3. mp-721713

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-721713
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['H', 'Pd', 'I', 'N']
  • Chemical System: H-I-N-Pd
  • Density: 3.6329829799584847
  • Atomic Density: 0.045971470799025256
  • Unit Cell Volume: 1087.631070552134
  • Molar Volume: 13.099734803628882
  • Full Formula: H24 Pd2 I16 N8
  • Reduced Formula: H12Pd(I2N)4
  • Formula Anonymous: AB4C8D12
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -207.31539680000003
  • Final energy per atom: -4.146307936
  • 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.