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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213511

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-1213511
  • 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: 120
  • Number of elements: 6
  • Element list: ['K', 'U', 'Cr', 'H', 'N', 'O']
  • Chemical System: Cr-H-K-N-O-U
  • Density: 2.8211456093769884
  • Atomic Density: 0.058015166453846224
  • Unit Cell Volume: 2068.424643674264
  • Molar Volume: 10.380286963049386
  • Full Formula: K20 U4 Cr12 H12 N4 O68
  • Reduced Formula: K5UCr3H3NO17
  • Formula Anonymous: ABC3D3E5F17
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -793.41769217
  • Final energy per atom: -6.611814101416667
  • 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.