Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1209059

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-1209059
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['U', 'P', 'Pb', 'O']
  • Chemical System: O-P-Pb-U
  • Density: 6.100206467706522
  • Atomic Density: 0.058415413776857966
  • Unit Cell Volume: 787.4633940917748
  • Molar Volume: 10.309163918626131
  • Full Formula: U6 P4 Pb4 O32
  • Reduced Formula: U3P2(PbO8)2
  • Formula Anonymous: A2B2C3D16
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -402.06425148
  • Final energy per atom: -8.740527206086956
  • 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.