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{
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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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{
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"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-101839",
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"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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{
"id": "jvasp-100135",
"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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{
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"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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"formula_full": "Be2 Cr1 P1",
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},
{
"id": "jvasp-8377",
"created_at": "2022-09-04T14:37:05.085384Z",
"updated_at": "2022-09-04T14:37:05.085403Z",
"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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{
"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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{
"id": "jvasp-112980",
"created_at": "2022-09-04T14:38:44.003511Z",
"updated_at": "2022-09-04T14:38:44.003543Z",
"structure_string": "V3 Co20 B6\n1.0\n6.358752 -0.000000 3.671227\n2.119584 5.995089 3.671227\n-0.000000 -0.000000 7.342454\nV Co B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 V\n0.749999 0.750000 0.750000 V\n0.250000 0.250000 0.250000 V\n0.661156 0.000000 0.000000 Co\n-0.000000 0.661156 0.000000 Co\n0.000000 0.000000 0.661156 Co\n0.338844 0.000000 0.000000 Co\n0.338844 0.000000 0.661156 Co\n0.338844 0.661156 0.000001 Co\n-0.000000 0.338844 0.661156 Co\n-0.000000 0.338844 0.000000 Co\n-0.000000 0.661156 0.338844 Co\n0.661155 0.338844 0.000001 Co\n0.000000 0.000000 0.338844 Co\n0.379682 0.379682 0.379682 Co\n0.860954 0.379682 0.379682 Co\n0.379681 0.860954 0.379682 Co\n0.379682 0.379682 0.860954 Co\n0.620317 0.620318 0.620318 Co\n0.139045 0.620318 0.620318 Co\n0.620318 0.139046 0.620318 Co\n0.620317 0.620318 0.139046 Co\n0.661156 0.000000 0.338844 Co\n0.725715 0.274285 0.725715 B\n0.725714 0.725715 0.274286 B\n0.274284 0.725715 0.274285 B\n0.725715 0.274285 0.274285 B\n0.274285 0.274285 0.725715 B\n0.274284 0.725715 0.725715 B\n",
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{
"id": "jvasp-44630",
"created_at": "2022-09-04T14:37:29.005441Z",
"updated_at": "2022-09-04T14:37:29.005468Z",
"structure_string": "Li4 Mn1 V2 W1 O12\n1.0\n5.003295 0.005577 0.000615\n-0.003991 5.316627 -0.023144\n-0.008746 -0.591833 7.259160\nLi Mn V W O\n4 1 2 1 12\ndirect\n0.001898 0.425291 0.312996 Li\n0.493004 0.904029 0.773533 Li\n0.012392 0.430810 0.762118 Li\n0.493397 0.928473 0.310585 Li\n0.499217 0.486028 0.507784 Mn\n-0.001340 0.986211 0.514410 V\n0.497733 0.464202 0.005524 V\n0.003208 0.977798 0.008405 W\n0.681775 0.196716 0.925759 O\n0.809464 0.327698 0.543108 O\n0.183514 0.333143 0.051607 O\n0.617432 0.514612 0.229930 O\n0.386693 0.531087 0.746145 O\n0.120592 0.030214 0.746126 O\n0.193426 0.725202 0.433898 O\n0.323719 0.834622 0.054476 O\n0.868783 0.018242 0.240698 O\n0.296483 0.218448 0.431310 O\n0.820617 0.695942 0.924117 O\n0.697992 0.828851 0.548681 O\n",
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],
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"density_atomic": 0.10361080601874965,
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"formula_full": "Li4 Mn1 V2 W1 O12",
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"spacegroup": 1
},
{
"id": "jvasp-101911",
"created_at": "2022-09-04T14:36:45.598336Z",
"updated_at": "2022-09-04T14:36:45.598359Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.984118 0.162177 0.063894\n2.102378 4.238428 1.060668\n-0.097805 -0.072352 7.411483\nZn H C O\n1 6 5 4\ndirect\n0.859134 0.420269 0.262069 Zn\n0.351703 0.768420 0.609554 H\n0.006945 0.072168 0.656451 H\n0.918156 0.575620 0.824132 H\n0.429951 0.151763 0.747417 H\n0.123836 0.708212 0.941838 H\n0.614742 0.282857 0.886040 H\n0.956181 0.802260 0.478724 C\n0.118605 0.822371 0.644154 C\n0.128094 0.596891 0.825853 C\n0.403472 0.265226 0.865325 C\n0.404265 0.036180 0.039079 C\n-0.006119 0.524313 0.473292 O\n0.787375 0.049852 0.353770 O\n0.234167 0.128875 0.163050 O\n0.595533 0.739933 0.051750 O\n",
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},
{
"id": "jvasp-42793",
"created_at": "2022-09-04T14:37:30.295937Z",
"updated_at": "2022-09-04T14:37:30.295962Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.381310 -0.000704 -4.876545\n0.000000 5.420398 0.000560\n4.381310 0.000704 4.876545\nMn O F\n8 14 2\ndirect\n0.373586 0.352764 0.116043 Mn\n0.115707 0.668271 0.374194 Mn\n0.133956 0.852763 0.876414 Mn\n0.875806 0.168272 0.134292 Mn\n0.381832 0.128290 0.632819 Mn\n0.623351 0.854242 0.371150 Mn\n0.617181 0.628290 0.868168 Mn\n0.878850 0.354242 0.626649 Mn\n0.825220 0.385946 0.906037 O\n0.929572 0.390984 0.347787 O\n0.671632 0.610381 0.591188 O\n0.418901 0.380792 0.840604 O\n0.902213 0.890984 0.320428 O\n0.658812 0.110381 0.578368 O\n0.409395 0.880792 0.831099 O\n0.078629 0.618541 0.656825 O\n0.097404 0.111565 0.675995 O\n0.343962 0.885946 0.424780 O\n0.574006 0.611566 0.152595 O\n0.173117 0.618302 0.095467 O\n0.154533 0.118302 0.076883 O\n0.593175 0.118542 0.171371 O\n0.332569 0.379921 0.413413 F\n0.836587 0.879922 0.917431 F\n",
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"spacegroup": 9
}
]
}