Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1196270

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-1196270
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 5
  • Element list: ['U', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-U
  • Density: 2.160733615450092
  • Atomic Density: 0.09290229916833694
  • Unit Cell Volume: 990.2876551343256
  • Molar Volume: 6.482230056640485
  • Full Formula: U2 H36 C14 N16 O24
  • Reduced Formula: UH18C7(N2O3)4
  • Formula Anonymous: AB7C8D12E18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -628.10545286
  • Final energy per atom: -6.82723318326087
  • 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.