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  1. Third-Parties
  2. MatprojStructure
  3. mp-773113

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-773113
  • 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: 88
  • Number of elements: 6
  • Element list: ['H', 'Ru', 'S', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-N-O-Ru-S
  • Density: 2.0412739983882138
  • Atomic Density: 0.0889139907176861
  • Unit Cell Volume: 989.7205073092699
  • Molar Volume: 6.772995690994356
  • Full Formula: H48 Ru4 S4 N16 Cl8 O8
  • Reduced Formula: H12RuSN4(ClO)2
  • Formula Anonymous: ABC2D2E4F12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -471.9992257500001
  • Final energy per atom: -5.36362756534091
  • 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.