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  1. Third-Parties
  2. MatprojStructure
  3. mp-644494

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-644494
  • 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: 14
  • Number of elements: 3
  • Element list: ['Rb', 'H', 'Pd']
  • Chemical System: H-Pd-Rb
  • Density: 3.084692691088394
  • Atomic Density: 0.04621215933597015
  • Unit Cell Volume: 302.9505697454571
  • Molar Volume: 13.031506959495287
  • Full Formula: Rb4 H8 Pd2
  • Reduced Formula: Rb2H4Pd
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -46.65853818
  • Final energy per atom: -3.332752727142857
  • 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.