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  1. Third-Parties
  2. MatprojStructure
  3. mp-1183601

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-1183601
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Gd', 'Rh']
  • Chemical System: Ca-Gd-Rh
  • Density: 8.210243094099168
  • Atomic Density: 0.04905825494786626
  • Unit Cell Volume: 81.53571716423183
  • Molar Volume: 12.275489143263803
  • Full Formula: Ca1 Gd1 Rh2
  • Reduced Formula: CaGdRh2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -33.14902448
  • Final energy per atom: -8.28725612
  • 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.