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  1. Third-Parties
  2. MatprojStructure
  3. mp-10388

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-10388
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Nb', 'P', 'Pd']
  • Chemical System: Nb-P-Pd
  • Density: 8.450326764326695
  • Atomic Density: 0.06523550062341545
  • Unit Cell Volume: 199.27799857082445
  • Molar Volume: 9.231385828958336
  • Full Formula: Nb5 P4 Pd4
  • Reduced Formula: Nb5(PPd)4
  • Formula Anonymous: A4B4C5
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -102.5548467
  • Final energy per atom: -7.8888343615384615
  • 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.