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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214498

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-1214498
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['Ca', 'Nd', 'Ru', 'O']
  • Chemical System: Ca-Nd-O-Ru
  • Density: 6.474056134976574
  • Atomic Density: 0.0737244555180927
  • Unit Cell Volume: 1057.9935714934923
  • Molar Volume: 8.168443859883249
  • Full Formula: Ca6 Nd16 Ru8 O48
  • Reduced Formula: Ca3Nd8(RuO6)4
  • Formula Anonymous: A3B4C8D24
  • Spacegroup Number: 80
  • Spacegroup Symbol: I4_1
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -630.68845258
  • Final energy per atom: -8.085749392051282
  • 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.