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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190571

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-1190571
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 5
  • Element list: ['Y', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Y
  • Density: 1.9784805827061822
  • Atomic Density: 0.09485026548181415
  • Unit Cell Volume: 263.5733265796004
  • Molar Volume: 6.349102692975212
  • Full Formula: Y1 H9 C5 N2 O8
  • Reduced Formula: YH9C5(NO4)2
  • Formula Anonymous: AB2C5D8E9
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -170.71573931999998
  • Final energy per atom: -6.8286295728
  • 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.