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{
"id": "jvasp-116855",
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"structure_string": "Li7 Ni5 O12\n1.0\n5.135341 -0.009171 -2.580912\n-1.940696 6.008482 -0.676681\n-0.035786 0.039899 6.422083\nLi Ni O\n7 5 12\ndirect\n0.244282 0.672503 0.163690 Li\n0.000000 0.000000 0.000000 Li\n0.747867 0.997028 0.497814 Li\n0.756669 0.676178 0.163308 Li\n0.755716 0.327497 0.836310 Li\n0.252131 0.002972 0.502185 Li\n0.243329 0.323822 0.836691 Li\n0.496720 0.332063 0.329650 Ni\n0.500000 0.000000 0.000000 Ni\n0.000398 0.331311 0.330518 Ni\n-0.000400 0.668689 0.669481 Ni\n0.503278 0.667937 0.670349 Ni\n0.631940 0.319066 0.088504 O\n0.859805 0.660629 0.887501 O\n0.390809 0.018274 0.241504 O\n0.609189 0.981726 0.758495 O\n0.368058 0.680934 0.911496 O\n0.860808 0.015991 0.242008 O\n0.870009 0.346719 0.562776 O\n0.139190 0.984009 0.757991 O\n0.140193 0.339371 0.112499 O\n0.367851 0.349393 0.575118 O\n0.632147 0.650607 0.424881 O\n0.129989 0.653281 0.437223 O\n",
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{
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"structure_string": "Li1 Ni1 O2\n1.0\n2.823704 -0.002662 0.001970\n-1.409399 2.634696 0.022789\n-0.007486 -0.278027 4.956092\nLi Ni O\n1 1 2\ndirect\n0.663314 0.327645 0.596956 Li\n0.995110 0.989881 0.029435 Ni\n0.350010 0.700280 0.801560 O\n0.658260 0.315699 0.221248 O\n",
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{
"id": "jvasp-44761",
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"updated_at": "2022-09-04T14:38:04.578984Z",
"structure_string": "Li12 Ni4 O12\n1.0\n8.595241 -0.000000 0.000000\n-0.000000 8.595241 0.000000\n0.000000 0.000000 3.626058\nLi Ni O\n12 4 12\ndirect\n0.365259 0.104304 0.500000 Li\n0.604304 0.134741 0.000000 Li\n0.163785 0.163785 0.000000 Li\n0.663784 0.336215 0.500000 Li\n0.104304 0.365259 0.500000 Li\n0.865259 0.395696 0.000000 Li\n0.134741 0.604304 0.000000 Li\n0.895696 0.634741 0.500000 Li\n0.336215 0.663784 0.500000 Li\n0.836215 0.836215 0.000000 Li\n0.395696 0.865259 0.000000 Li\n0.634741 0.895696 0.500000 Li\n0.115721 0.884279 0.500000 Ni\n0.615721 0.615721 0.000000 Ni\n0.384279 0.384279 0.000000 Ni\n0.884279 0.115721 0.500000 Ni\n0.100636 0.100636 0.500000 O\n0.672529 0.112924 0.500000 O\n0.387076 0.172529 0.000000 O\n0.887076 0.327471 0.500000 O\n0.172529 0.387076 0.000000 O\n0.600636 0.399364 0.000000 O\n0.399364 0.600636 0.000000 O\n0.827471 0.612923 0.000000 O\n0.112924 0.672529 0.500000 O\n0.612923 0.827471 0.000000 O\n0.327471 0.887076 0.500000 O\n0.899364 0.899364 0.500000 O\n",
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"formula_full": "Li12 Ni4 O12",
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"spacegroup": 136
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{
"id": "jvasp-103750",
"created_at": "2022-09-04T14:36:49.264457Z",
"updated_at": "2022-09-04T14:36:49.264492Z",
"structure_string": "Li1 Ni4 O5\n1.0\n4.974743 -0.021223 -0.832414\n-3.567795 3.466895 -0.832414\n0.008666 0.021223 5.043898\nLi Ni O\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Li\n0.400400 0.794162 0.194565 Ni\n0.794162 0.599598 0.393763 Ni\n0.205836 0.400401 0.606239 Ni\n0.599598 0.205836 0.805436 Ni\n0.311274 0.116853 0.428128 O\n0.688724 0.883145 0.571874 O\n0.116852 0.688724 0.805580 O\n0.499999 0.500000 0.000001 O\n0.883146 0.311274 0.194422 O\n",
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"density": 6.155552595815651,
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"formula_full": "Li1 Ni4 O5",
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{
"id": "jvasp-8646",
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"structure_string": "Li1 Ni1 O2\n1.0\n2.722500 0.458712 -4.618162\n-0.212358 3.346488 -4.207823\n-0.115234 -0.458712 5.359678\nLi Ni O\n1 1 2\ndirect\n0.271329 0.771331 0.500002 Li\n0.007536 0.507537 0.500000 Ni\n0.384289 0.384291 0.000001 O\n0.629846 0.629844 1.000002 O\n",
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},
{
"id": "jvasp-7881",
"created_at": "2022-09-04T14:36:48.707226Z",
"updated_at": "2022-09-04T14:36:48.707252Z",
"structure_string": "Li2 Ni1 O2\n1.0\n2.798248 0.001282 -0.000639\n-0.001796 3.752873 -0.005801\n-1.397028 -1.869773 4.441984\nLi Ni O\n2 1 2\ndirect\n0.303241 0.803245 0.606509 Li\n0.696757 0.196754 0.393490 Li\n-0.000001 0.500000 0.000000 Ni\n0.356824 0.356782 0.713620 O\n0.643174 0.643217 0.286379 O\n",
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"formula_full": "Li2 Ni1 O2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-42629",
"created_at": "2022-09-04T14:36:17.712601Z",
"updated_at": "2022-09-04T14:36:17.712626Z",
"structure_string": "Li3 Ni4 O8\n1.0\n-2.874834 1.599395 4.720131\n-2.820360 4.925733 -0.013538\n-2.878277 -1.660961 -4.703083\nLi Ni O\n3 4 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 -0.000000 -0.000000 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.499999 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.956248 0.772401 0.728124 O\n0.005007 0.218600 0.752503 O\n0.473184 0.768501 0.708641 O\n0.473184 0.768501 0.264543 O\n0.526817 0.231498 0.735458 O\n0.526816 0.231498 0.291360 O\n-0.005006 0.781400 0.247497 O\n0.043752 0.227598 0.271877 O\n",
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"formula_full": "Li3 Ni4 O8",
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"formula_anonymous": "A3B4C8",
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},
{
"id": "jvasp-57390",
"created_at": "2022-09-04T14:37:50.922335Z",
"updated_at": "2022-09-04T14:37:50.922364Z",
"structure_string": "Li4 Ni2 O6\n1.0\n4.820336 0.000527 -0.805924\n-2.607189 4.054406 -0.805924\n-0.006297 -0.011538 4.959707\nLi Ni O\n4 2 6\ndirect\n0.336745 0.663256 0.500001 Li\n-0.000000 -0.000000 0.500000 Li\n0.663256 0.336745 0.500001 Li\n0.500001 0.500001 0.000001 Li\n0.166835 0.833166 0.000001 Ni\n0.833166 0.166836 0.000001 Ni\n0.574878 0.930952 0.223930 O\n0.425123 0.069049 0.776072 O\n0.779576 0.779576 0.772749 O\n0.930952 0.574878 0.223930 O\n0.069049 0.425123 0.776072 O\n0.220425 0.220425 0.227254 O\n",
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{
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"created_at": "2022-09-04T14:37:48.474607Z",
"updated_at": "2022-09-04T14:37:48.474626Z",
"structure_string": "Li6 Ni2\n1.0\n5.371980 0.000000 0.000000\n-2.685990 4.652271 0.000000\n-0.000000 -0.000000 4.363230\nLi Ni\n6 2\ndirect\n0.175614 0.351227 0.250000 Li\n0.648773 0.824386 0.250000 Li\n0.175614 0.824386 0.250000 Li\n0.824386 0.648772 0.750000 Li\n0.351228 0.175614 0.750000 Li\n0.824386 0.175614 0.750000 Li\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n",
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{
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"created_at": "2022-09-04T14:36:36.624148Z",
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"structure_string": "Li3 Ni1\n1.0\n3.424316 -0.240248 -2.779836\n-0.926494 3.305339 -2.779836\n0.195784 0.240248 4.406256\nLi Ni\n3 1\ndirect\n0.750001 0.250000 0.500000 Li\n0.250001 0.750000 0.500000 Li\n0.500001 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Ni\n",
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},
{
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"created_at": "2022-09-04T14:36:39.500617Z",
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"structure_string": "Li1 Nd1 Zn2\n1.0\n4.227359 0.000000 2.440667\n1.409120 3.985592 2.440667\n-0.000000 -0.000000 4.881333\nLi Nd Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
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"structure_string": "Li1 Nd1 Tl2\n1.0\n0.000000 3.724469 3.724469\n3.724469 0.000000 3.724469\n3.724469 3.724469 -0.000000\nLi Nd Tl\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Li\n0.750001 0.750001 0.750001 Nd\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
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}
]
}