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{
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"structure_string": "Li4 Co2 Ni4 O12\n1.0\n4.895227 -0.001046 0.000000\n-2.336056 4.301871 0.000000\n0.000000 0.000000 9.763040\nLi Co Ni O\n4 2 4 12\ndirect\n0.143753 0.642398 0.249046 Li\n0.357601 0.856246 0.750954 Li\n0.643754 0.142397 0.250954 Li\n0.857602 0.356245 0.749046 Li\n0.997785 0.002214 0.000000 Co\n0.497784 0.502214 0.500000 Co\n0.334764 0.665235 0.000000 Ni\n0.834765 0.165234 0.500000 Ni\n0.162919 0.837080 0.500000 Ni\n0.662919 0.337080 0.000000 Ni\n0.330446 -0.003991 0.102356 O\n0.003990 0.669554 0.897644 O\n0.683150 0.024040 0.892352 O\n0.475959 0.816849 0.392352 O\n0.183149 0.524040 0.607648 O\n0.170215 0.173808 0.401559 O\n0.975959 0.316849 0.107648 O\n0.670214 0.673808 0.098441 O\n0.326191 0.329785 0.901559 O\n0.503991 0.169553 0.602356 O\n0.826191 0.829784 0.598441 O\n0.830446 0.496008 0.397644 O\n",
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"structure_string": "Li4 V2 O2 F6\n1.0\n5.587465 -0.014350 -0.122896\n-2.644811 4.979968 0.049184\n-0.088294 -0.024242 5.173237\nLi V O F\n4 2 2 6\ndirect\n0.349498 0.979527 0.761447 Li\n0.055916 0.664488 0.285550 Li\n0.940616 0.333609 0.741507 Li\n0.649953 0.064653 0.233940 Li\n0.613004 0.612603 0.744728 V\n0.349016 0.351039 0.252567 V\n0.297794 0.479602 0.928533 O\n0.534713 0.298028 0.547554 O\n0.721240 -0.007771 0.889506 F\n0.998771 0.271475 0.390632 F\n0.477748 0.732467 0.418281 F\n0.738093 0.480569 0.071534 F\n0.005175 0.750276 0.619737 F\n0.268473 0.989440 0.114478 F\n",
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"structure_string": "Li4 P4 W2 O16\n1.0\n4.874778 0.000000 0.000000\n0.000000 5.827609 0.002001\n0.000000 -0.003926 10.097851\nLi P W O\n4 4 2 16\ndirect\n0.684495 0.730749 0.556267 Li\n0.315506 0.730750 0.056267 Li\n0.272279 0.730705 0.734560 Li\n0.727722 0.730705 0.234560 Li\n0.392332 0.230777 0.580222 P\n0.607668 0.230777 0.080222 P\n0.827522 0.730772 0.910842 P\n0.172479 0.730773 0.410842 P\n0.184802 0.230770 0.268171 W\n0.815198 0.230769 0.768171 W\n0.924358 0.730793 0.053223 O\n0.075642 0.730792 0.553223 O\n0.479578 0.730770 0.391913 O\n0.520423 0.730770 0.891913 O\n0.029381 0.523184 0.332208 O\n0.970620 0.523183 0.832208 O\n0.451420 0.436302 0.149523 O\n0.558370 0.230792 0.930768 O\n0.913666 0.230773 0.110608 O\n0.086335 0.230773 0.610608 O\n0.441630 0.230792 0.430768 O\n0.970588 0.938351 0.832200 O\n0.451377 0.025261 0.149492 O\n0.548623 0.025260 0.649492 O\n0.548581 0.436302 0.649523 O\n0.029412 0.938351 0.332200 O\n",
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"structure_string": "Li8 Ni6 O4 F12\n1.0\n5.021341 -0.008359 0.881867\n-1.561266 11.195563 -0.814004\n-0.000324 -0.008179 5.090821\nLi Ni O F\n8 6 4 12\ndirect\n0.016780 -0.001253 0.011968 Li\n0.516779 0.498747 0.011968 Li\n0.108230 0.126240 0.488011 Li\n0.608229 0.626240 0.488010 Li\n0.259238 0.247238 0.989078 Li\n0.759236 0.747237 0.989077 Li\n0.365747 0.377757 0.510929 Li\n0.865746 0.877757 0.510929 Li\n0.062505 0.562509 0.750001 Ni\n0.180509 0.682382 0.249194 Ni\n0.944487 0.442620 0.250811 Ni\n0.562506 0.062509 0.750002 Ni\n0.680513 0.182383 0.249195 Ni\n0.444485 0.942619 0.250811 Ni\n0.259927 0.534497 0.388908 O\n0.759931 0.034497 0.388911 O\n0.365067 0.090505 0.111096 O\n0.865069 0.590505 0.111096 O\n0.040223 0.279380 0.350553 F\n0.918565 0.150004 0.880410 F\n0.418563 0.650004 0.880409 F\n0.706446 0.474997 0.619595 F\n0.206445 0.974997 0.619597 F\n0.438295 0.217862 0.617586 F\n0.938293 0.717861 0.617585 F\n0.186705 0.407144 0.882416 F\n0.686704 0.907144 0.882417 F\n0.584776 0.345617 0.149450 F\n0.084776 0.845617 0.149451 F\n0.540221 0.779380 0.350553 F\n",
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"structure_string": "Li4 V2 Co2 O10\n1.0\n6.541460 0.000000 0.000000\n0.000000 6.541460 0.000000\n0.000000 -0.000000 4.554377\nLi V Co O\n4 2 2 10\ndirect\n0.750000 0.250000 0.000000 Li\n0.250000 0.250000 0.000000 Li\n0.250000 0.750000 0.000000 Li\n0.750000 0.750000 0.000000 Li\n0.000000 0.500000 0.620835 V\n0.500000 0.000000 0.379166 V\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.224974 0.000000 0.256684 O\n0.775026 0.000000 0.256684 O\n0.000000 0.775026 0.743317 O\n0.500000 0.724974 0.256684 O\n0.500000 0.275026 0.256684 O\n0.275026 0.500000 0.743317 O\n0.000000 0.500000 0.254883 O\n0.500000 0.000000 0.745117 O\n0.724974 0.500000 0.743317 O\n0.000000 0.224974 0.743317 O\n",
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"created_at": "2022-09-04T14:38:53.710302Z",
"updated_at": "2022-09-04T14:38:53.710338Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n5.089535 0.034647 -2.969418\n-1.655811 4.773734 -3.031792\n0.019048 -0.034647 5.892406\nLi V Cr O\n4 2 2 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 -0.000000 0.500000 V\n-0.000000 0.500000 -0.000000 V\n0.000000 0.499999 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.758017 0.744498 0.486479 O\n0.748731 0.739169 0.009562 O\n0.229605 0.739168 0.490438 O\n0.241982 0.728460 0.986479 O\n0.758017 0.271539 0.013521 O\n0.770394 0.260831 0.509562 O\n0.251268 0.260830 0.990438 O\n0.241982 0.255502 0.513521 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.197493527748022,
"density_atomic": 0.11183846170396645,
"volume": 143.06348420949843,
"volume_molar": 5.384677747035231,
"formula_full": "Li4 V2 Cr2 O8",
"formula_reduced": "Li2VCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.64834695,
"spacegroup": 74
}
]
}