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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202468

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-1202468
  • 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: 252
  • Number of elements: 7
  • Element list: ['U', 'P', 'H', 'C', 'Br', 'N', 'O']
  • Chemical System: Br-C-H-N-O-P-U
  • Density: 1.7878132037083094
  • Atomic Density: 0.08605122660809972
  • Unit Cell Volume: 2928.4881800427474
  • Molar Volume: 6.99832064849748
  • Full Formula: U4 P8 H144 C48 Br8 N24 O16
  • Reduced Formula: UP2H36C12Br2(N3O2)2
  • Formula Anonymous: AB2C2D4E6F12G36
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -1442.67608779
  • Final energy per atom: -5.724905110277779
  • 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.