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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204558

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-1204558
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 168
  • Number of elements: 4
  • Element list: ['Bi', 'Ru', 'C', 'O']
  • Chemical System: Bi-C-O-Ru
  • Density: 2.426309989264328
  • Atomic Density: 0.05036358044567134
  • Unit Cell Volume: 3335.74377582679
  • Molar Volume: 11.957332474596914
  • Full Formula: Bi4 Ru20 C72 O72
  • Reduced Formula: BiRu5(CO)18
  • Formula Anonymous: AB5C18D18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1373.4697982700002
  • Final energy per atom: -8.175415465892858
  • 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.