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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-721086
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 59
Number of elements: 7
Element list: ['Li', 'Cu', 'P', 'H', 'C', 'N', 'O']
Chemical System: C-Cu-H-Li-N-O-P
Density: 2.017923134669542
Atomic Density: 0.09643607915131562
Unit Cell Volume: 611.804218081331
Molar Volume: 6.244696811605953
Full Formula: Li2 Cu1 P6 H20 C2 N6 O22
Reduced Formula: Li2CuP6H20C2(N3O11)2
Formula Anonymous: AB2C2D6E6F20G22
Spacegroup Number: 2
Spacegroup Symbol: P-1
Crystal System: triclinic
Pointgroup: -1

Thermodynamics:

Final energy: -378.28981228
Final energy per atom: -6.411691733559322
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.