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  1. Third-Parties
  2. MatprojStructure
  3. mp-757236

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-757236
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 6
  • Element list: ['Li', 'Mn', 'Ni', 'P', 'C', 'O']
  • Chemical System: C-Li-Mn-Ni-O-P
  • Density: 2.8066592611226433
  • Atomic Density: 0.09445800965648574
  • Unit Cell Volume: 275.2545823753208
  • Molar Volume: 6.375468614996912
  • Full Formula: Li6 Mn1 Ni1 P2 C2 O14
  • Reduced Formula: Li6MnNiP2(CO7)2
  • Formula Anonymous: ABC2D2E6F14
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -186.13889481
  • Final energy per atom: -7.159188261923077
  • 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.