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{
"id": "jvasp-97759",
"created_at": "2022-09-04T14:36:06.748173Z",
"updated_at": "2022-09-04T14:36:06.748220Z",
"structure_string": "Te4 H20 O24\n1.0\n4.540672 0.000000 -4.284918\n0.000000 8.970155 0.000000\n0.269635 0.000000 11.120395\nTe H O\n4 20 24\ndirect\n0.499999 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 -0.000000 Te\n-0.000001 0.000000 0.500000 Te\n0.425002 0.167874 0.704295 H\n0.074997 0.667874 0.795705 H\n0.574997 0.832125 0.295705 H\n0.939874 0.053588 0.258215 H\n0.439874 0.446411 0.758215 H\n0.060124 0.946411 0.741785 H\n0.560125 0.553588 0.241785 H\n0.463468 0.118700 0.107510 H\n0.963467 0.381299 0.607510 H\n0.925002 0.332125 0.204295 H\n0.036532 0.618700 0.392490 H\n0.354331 0.088881 0.296350 H\n0.854330 0.411118 0.796350 H\n0.645667 0.911118 0.703650 H\n0.145668 0.588881 0.203650 H\n0.227112 0.278674 0.467521 H\n0.727111 0.221326 0.967521 H\n0.772886 0.721326 0.532479 H\n0.272887 0.778674 0.032479 H\n0.536531 0.881299 0.892490 H\n0.304084 0.901439 0.522545 O\n0.195914 0.401440 0.977455 O\n0.695914 0.098560 0.477455 O\n0.186687 0.930051 0.717314 O\n0.756769 0.822593 0.414127 O\n0.813312 0.069948 0.282686 O\n0.313311 0.430051 0.782686 O\n0.804084 0.598560 0.022544 O\n0.256768 0.677406 0.914127 O\n0.686687 0.569948 0.217313 O\n0.760442 0.372128 0.500875 O\n0.639860 0.424524 0.705633 O\n0.239556 0.627871 0.499125 O\n0.739556 0.872128 0.999124 O\n0.139861 0.075476 0.205633 O\n0.860138 0.924524 0.794367 O\n0.360139 0.575476 0.294367 O\n0.709988 0.154541 0.887441 O\n0.209989 0.345458 0.387441 O\n0.290010 0.845458 0.112559 O\n0.790010 0.654541 0.612559 O\n0.243230 0.177406 0.585873 O\n0.260443 0.127871 0.000875 O\n0.743230 0.322593 0.085872 O\n",
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{
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"structure_string": "Li1 Mn2 O4\n1.0\n0.000000 4.888368 0.041851\n2.847964 0.000000 0.000000\n0.000000 -1.603823 -4.866984\nLi Mn O\n1 2 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.499999 0.000000 Mn\n0.267705 0.000000 0.790674 O\n0.756381 0.499999 0.783015 O\n0.732296 0.000000 0.209325 O\n0.243620 0.499999 0.216985 O\n",
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"formula_full": "Li1 Mn2 O4",
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"spacegroup": 10
},
{
"id": "jvasp-70707",
"created_at": "2022-09-04T14:36:11.767372Z",
"updated_at": "2022-09-04T14:36:11.767389Z",
"structure_string": "Be2 Cr1 P1\n1.0\n-1.630992 1.630992 3.628597\n1.630992 -1.630992 3.628597\n1.630992 1.630992 -3.628597\nBe Cr P\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.499999 Be\n0.500000 0.500000 0.000000 Cr\n0.750000 0.250000 0.499999 P\n",
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{
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"created_at": "2022-09-04T14:36:32.361615Z",
"updated_at": "2022-09-04T14:36:32.361636Z",
"structure_string": "Cu1 Ni1 O2\n1.0\n2.700107 0.054227 -1.363926\n-1.236788 2.400808 1.363926\n0.005360 -0.003195 5.891430\nCu Ni O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500002 0.500000 Ni\n0.312971 0.687033 0.718771 O\n0.687032 0.312972 0.281228 O\n",
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{
"id": "jvasp-101839",
"created_at": "2022-09-04T14:36:41.045551Z",
"updated_at": "2022-09-04T14:36:41.045561Z",
"structure_string": "H16 C26 O4\n1.0\n3.706368 -0.086705 -0.341050\n-1.052873 8.481179 -1.065546\n-0.022001 -0.287720 14.209550\nH C O\n16 26 4\ndirect\n0.930362 0.990282 0.062434 H\n0.635900 0.427539 0.265953 H\n0.201971 0.707959 0.495344 H\n0.701982 0.707959 0.995345 H\n0.028130 0.231608 0.565337 H\n0.528136 0.231607 0.065337 H\n0.969791 0.928650 0.823629 H\n0.469795 0.928650 0.323629 H\n0.135902 0.427539 0.765953 H\n0.515399 0.060645 0.907826 H\n0.745810 0.644807 0.757222 H\n0.245817 0.644806 0.257222 H\n0.625807 0.593891 0.424102 H\n0.125816 0.593891 0.924103 H\n0.430355 0.990282 0.562434 H\n0.015399 0.060646 0.407827 H\n0.823229 0.233548 0.326211 C\n0.777133 0.913827 0.104308 C\n0.277126 0.913826 0.604308 C\n0.217210 0.478490 0.920266 C\n0.717204 0.478490 0.420265 C\n0.720609 0.385526 0.332064 C\n0.150269 0.756456 0.566864 C\n0.220611 0.385527 0.832065 C\n0.355549 0.150079 0.728788 C\n0.855552 0.150079 0.228788 C\n0.323229 0.233548 0.826212 C\n0.650278 0.756457 0.066865 C\n0.959503 0.660034 0.622994 C\n0.425575 0.176544 0.910750 C\n0.832045 0.421164 0.503548 C\n0.332052 0.421163 0.003549 C\n0.219089 0.979250 0.697196 C\n0.719094 0.979251 0.197197 C\n0.925574 0.176546 0.410750 C\n0.900517 0.722256 0.716163 C\n0.400524 0.722255 0.216164 C\n0.935327 0.270859 0.499307 C\n0.435331 0.270858 -0.000693 C\n0.026901 0.880451 0.752356 C\n0.526907 0.880451 0.252356 C\n0.459511 0.660033 0.122995 C\n0.497613 0.230394 0.672266 O\n0.325561 0.502711 0.095171 O\n0.825551 0.502712 0.595171 O\n-0.002385 0.230394 0.172267 O\n",
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"formula_full": "H16 C26 O4",
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{
"id": "jvasp-36314",
"created_at": "2022-09-04T14:37:18.776470Z",
"updated_at": "2022-09-04T14:37:18.776496Z",
"structure_string": "Mn1 N1\n1.0\n2.129282 2.129282 -0.000000\n2.129282 0.000000 -2.129282\n-0.000000 2.129282 -2.129282\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.749999 N\n",
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},
{
"id": "jvasp-78284",
"created_at": "2022-09-04T14:36:32.829783Z",
"updated_at": "2022-09-04T14:36:32.829803Z",
"structure_string": "Mn1 N1\n1.0\n-2.129315 -2.129315 0.000000\n-2.129315 0.000000 -2.129315\n0.000000 -2.129315 -2.129315\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750002 0.750002 0.750002 N\n",
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},
{
"id": "jvasp-42701",
"created_at": "2022-09-04T14:37:13.424705Z",
"updated_at": "2022-09-04T14:37:13.424726Z",
"structure_string": "Mn4 O7 F1\n1.0\n4.382631 -0.016427 -0.014610\n-0.011590 4.877240 -0.004253\n0.116160 -0.001842 5.420290\nMn O F\n4 7 1\ndirect\n0.989860 0.265790 0.145689 Mn\n0.988883 0.746816 0.838089 Mn\n0.495846 0.244206 0.647030 Mn\n0.511497 0.742888 0.364757 Mn\n0.767379 0.078878 0.885709 O\n0.768275 0.584315 0.116335 O\n0.731419 0.575284 0.613552 O\n0.736499 0.079490 0.385629 O\n0.266169 0.916701 0.614092 O\n0.269548 0.418806 0.385061 O\n0.231785 0.424191 0.884812 O\n0.242836 0.922633 0.119245 F\n",
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{
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"created_at": "2022-09-04T14:36:37.103583Z",
"updated_at": "2022-09-04T14:36:37.103619Z",
"structure_string": "Li4 Fe6 Sb2 O16\n1.0\n5.706186 0.000146 0.000046\n-2.852962 4.941515 -0.000173\n-0.000116 0.000088 9.588293\nLi Fe Sb O\n4 6 2 16\ndirect\n0.333340 0.666682 0.899225 Li\n-0.000033 0.000040 0.992253 Li\n0.000018 -0.000010 0.492251 Li\n0.666662 0.333348 0.399223 Li\n0.826191 0.652329 0.715647 Fe\n0.347693 0.173835 0.715645 Fe\n0.826194 0.173835 0.715651 Fe\n0.173809 0.347686 0.215647 Fe\n0.173813 0.826188 0.215645 Fe\n0.652310 0.826189 0.215648 Fe\n0.333345 0.666672 0.493663 Sb\n0.666655 0.333356 0.993662 Sb\n0.316705 0.158387 0.100387 O\n0.841613 0.683303 0.100390 O\n0.666682 0.333326 0.605073 O\n0.515387 0.030710 0.836775 O\n0.515368 0.484667 0.836760 O\n0.683299 0.841637 0.600391 O\n0.484636 0.515364 0.336764 O\n0.030689 0.515377 0.336773 O\n0.158377 0.316720 0.600396 O\n0.000039 0.000001 0.805265 O\n-0.000018 0.000020 0.305262 O\n0.333308 0.666682 0.105073 O\n0.969308 0.484640 0.836784 O\n0.158385 0.841626 0.600411 O\n0.484623 0.969312 0.336774 O\n0.841605 0.158386 0.100411 O\n",
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{
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"structure_string": "Mo2 H8 O10\n1.0\n4.038469 -0.136300 0.030474\n-1.396882 6.420894 0.078539\n-0.129545 -0.237742 7.498284\nMo H O\n2 8 10\ndirect\n0.921169 0.006835 0.749792 Mo\n0.078832 -0.006835 0.250207 Mo\n0.239511 0.375654 0.153284 H\n0.266431 0.381060 0.646886 H\n0.760490 0.624346 0.846715 H\n0.733571 0.618940 0.353113 H\n0.331427 0.414536 0.404074 H\n0.338749 0.419062 0.903498 H\n0.661252 0.580938 0.096501 H\n0.668574 0.585464 0.595925 H\n0.123858 0.295490 0.260268 O\n0.000000 0.000000 0.000000 O\n0.000001 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500001 0.500000 0.500000 O\n0.497152 0.006478 0.752248 O\n0.502849 -0.006478 0.247751 O\n0.876144 0.704510 0.739731 O\n0.128041 0.301962 0.750888 O\n0.871960 0.698037 0.249111 O\n",
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},
{
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"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.598137 0.000000 0.000000\n0.000000 5.885690 0.000000\n0.000000 0.000000 9.990649\nLi Co Si O\n4 4 4 16\ndirect\n0.019371 0.006527 0.220829 Li\n0.480629 0.006527 0.720829 Li\n0.519371 0.506527 0.279171 Li\n0.980630 0.506527 0.779171 Li\n-0.000002 0.256525 0.500002 Co\n0.500002 0.256525 0.000001 Co\n0.499998 0.756524 -0.000001 Co\n0.000002 0.756524 0.499999 Co\n0.922799 0.006529 0.912504 Si\n0.577202 0.006529 0.412504 Si\n0.422799 0.506529 0.587497 Si\n0.077202 0.506529 0.087497 Si\n0.778321 0.238887 0.852280 O\n0.782653 0.506531 0.581356 O\n0.717348 0.506531 0.081356 O\n0.721680 0.238887 0.352280 O\n0.721680 0.774172 0.352279 O\n0.760515 0.006531 0.561995 O\n0.239486 0.506531 0.438005 O\n0.221679 0.274172 0.147721 O\n0.278321 0.738887 0.647720 O\n0.282652 0.006531 0.918644 O\n0.217348 0.006531 0.418644 O\n0.221679 0.738887 0.147720 O\n0.778321 0.774172 0.852279 O\n0.260515 0.506531 0.938005 O\n0.278321 0.274172 0.647721 O\n0.739486 0.006531 0.061995 O\n",
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],
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"volume": 270.37902152831947,
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"formula_full": "Li4 Co4 Si4 O16",
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{
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"created_at": "2022-09-04T14:38:47.815109Z",
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"structure_string": "Li1 Mn1 O2\n1.0\n2.891075 -0.000000 4.305086\n1.311403 2.576536 4.305086\n-0.000000 -0.000000 5.185757\nLi Mn O\n1 1 2\ndirect\n0.500000 0.500003 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.257544 0.257543 0.257543 O\n0.742456 0.742455 0.742461 O\n",
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}
]
}