Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-707833

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-707833
  • 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: 160
  • Number of elements: 5
  • Element list: ['H', 'Ru', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Ru
  • Density: 2.722950379080998
  • Atomic Density: 0.061324039325298785
  • Unit Cell Volume: 2609.0910148835087
  • Molar Volume: 9.82019584204984
  • Full Formula: H4 Ru24 C64 N4 O64
  • Reduced Formula: HRu6C16NO16
  • Formula Anonymous: ABC6D16E16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1311.11190604
  • Final energy per atom: -8.19444941275
  • 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.