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  1. Third-Parties
  2. MatprojStructure
  3. mp-980936

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-980936
  • 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: 22
  • Number of elements: 3
  • Element list: ['Y', 'In', 'Pd']
  • Chemical System: In-Pd-Y
  • Density: 6.7868543490909286
  • Atomic Density: 0.04026228786028175
  • Unit Cell Volume: 546.4170361193688
  • Molar Volume: 14.957274114422015
  • Full Formula: Y10 In8 Pd4
  • Reduced Formula: Y5(In2Pd)2
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -122.87258754
  • Final energy per atom: -5.585117615454545
  • 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.