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{
"id": "jvasp-30910",
"created_at": "2022-09-04T14:38:35.990382Z",
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"structure_string": "Sr4 Mg4 Sn4\n1.0\n4.874607 0.000000 0.000000\n0.000000 8.165110 0.000000\n0.000000 0.000000 8.860021\nSr Mg Sn\n4 4 4\ndirect\n0.750000 0.988594 0.810388 Sr\n0.250000 0.511407 0.310388 Sr\n0.250000 0.011406 0.189612 Sr\n0.750000 0.488594 0.689612 Sr\n0.750000 0.350352 0.068420 Mg\n0.250000 0.649648 0.931580 Mg\n0.750000 0.850352 0.431580 Mg\n0.250000 0.149648 0.568420 Mg\n0.250000 0.777334 0.606991 Sn\n0.250000 0.277334 0.893009 Sn\n0.750000 0.722666 0.106991 Sn\n0.750000 0.222666 0.393009 Sn\n",
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{
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{
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"created_at": "2022-09-04T14:38:40.950053Z",
"updated_at": "2022-09-04T14:38:40.950086Z",
"structure_string": "Lu10 Pt6\n1.0\n8.258583 0.000000 -0.000000\n-4.129292 7.152143 0.000000\n0.000000 -0.000000 5.970473\nLu Pt\n10 6\ndirect\n0.666667 0.333333 0.500000 Lu\n0.333333 0.666667 0.500000 Lu\n0.333333 0.666667 0.000000 Lu\n0.666667 0.333333 0.000000 Lu\n0.754592 0.754592 0.250000 Lu\n0.245408 -0.000000 0.250000 Lu\n0.000000 0.245408 0.250000 Lu\n0.245408 0.245408 0.750000 Lu\n0.754592 -0.000000 0.750000 Lu\n0.000000 0.754592 0.750000 Lu\n0.394098 0.394098 0.250000 Pt\n0.605902 -0.000000 0.250000 Pt\n0.000000 0.605902 0.250000 Pt\n0.605902 0.605902 0.750000 Pt\n0.394098 -0.000000 0.750000 Pt\n0.000000 0.394098 0.750000 Pt\n",
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{
"id": "jvasp-29164",
"created_at": "2022-09-04T14:38:02.269043Z",
"updated_at": "2022-09-04T14:38:02.269064Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.384696 -0.000011 -0.000049\n-1.692358 2.931293 0.000130\n-0.000492 0.001148 35.546185\nTe Mo W Se\n2 3 1 6\ndirect\n0.333332 0.666608 0.712740 Te\n0.333332 0.666704 0.606805 Te\n0.333329 0.666665 0.096913 Mo\n0.333333 0.666669 0.465144 Mo\n0.666665 0.333322 0.659822 Mo\n0.666675 0.333344 0.281040 W\n0.333344 0.666643 0.327797 Se\n0.666663 0.333374 0.050429 Se\n0.666663 0.333368 0.418614 Se\n0.666663 0.333289 0.143456 Se\n0.666670 0.333302 0.511708 Se\n0.333338 0.666713 0.234281 Se\n",
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{
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"created_at": "2022-09-04T14:37:57.510169Z",
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"structure_string": "Al8 Si4 O16 F8\n1.0\n4.691499 0.000000 0.000000\n-0.000000 8.467216 0.000000\n0.000000 0.000000 8.878159\nAl Si O F\n8 4 16 8\ndirect\n0.096826 0.916951 0.130336 Al\n0.596827 0.083050 0.369665 Al\n0.903174 0.416951 0.869665 Al\n0.403174 0.583050 0.630336 Al\n0.596827 0.416951 0.369665 Al\n0.096826 0.583050 0.130336 Al\n0.403174 0.916951 0.630336 Al\n0.903174 0.083050 0.869665 Al\n0.897695 0.750000 0.439931 Si\n0.397695 0.250000 0.060069 Si\n0.102305 0.250000 0.560069 Si\n0.602305 0.750000 0.939931 Si\n0.295126 0.750000 0.031366 O\n0.795126 0.250000 0.468634 O\n0.704874 0.250000 0.968634 O\n0.204874 0.750000 0.531366 O\n0.789195 0.908063 0.989255 O\n0.289195 0.091938 0.510745 O\n0.210805 0.408063 0.010745 O\n0.710805 0.591938 0.489255 O\n0.289195 0.408063 0.510745 O\n0.041978 0.250000 0.744594 O\n0.958022 0.750000 0.255407 O\n0.210805 0.091938 0.010745 O\n0.710805 0.908063 0.489255 O\n0.789195 0.591938 0.989255 O\n0.458022 0.250000 0.244594 O\n0.541978 0.750000 0.755407 O\n0.096035 0.557673 0.752158 F\n0.096035 0.942328 0.752158 F\n0.596035 0.057672 0.747842 F\n0.596035 0.442328 0.747842 F\n0.403965 0.557673 0.252158 F\n0.903965 0.057672 0.247842 F\n0.403965 0.942328 0.252158 F\n0.903965 0.442328 0.247842 F\n",
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{
"id": "jvasp-117035",
"created_at": "2022-09-04T14:38:47.805552Z",
"updated_at": "2022-09-04T14:38:47.805570Z",
"structure_string": "Ba2 Sr2 Mg2 Si4 O14\n1.0\n8.155322 -0.000000 0.000000\n0.000000 5.298872 0.089848\n-0.000000 -0.006828 8.161398\nBa Sr Mg Si O\n2 2 2 4 14\ndirect\n0.166536 0.487531 0.088912 Ba\n0.666536 0.512468 0.911088 Ba\n0.833375 0.495831 0.416141 Sr\n0.333375 0.504168 0.583860 Sr\n0.500232 0.997891 0.252667 Mg\n0.000232 0.002108 0.747333 Mg\n0.637837 0.054991 0.600492 Si\n0.137837 0.945008 0.399508 Si\n0.361564 0.043472 0.876397 Si\n0.861564 0.956528 0.123604 Si\n0.139428 0.250273 0.405131 O\n0.639428 0.749726 0.594869 O\n0.809534 0.188541 0.661166 O\n0.309534 0.811458 0.338835 O\n0.193348 0.190515 0.818508 O\n0.693348 0.809484 0.181493 O\n0.499533 0.151982 0.739283 O\n0.422601 0.164866 0.050398 O\n0.077996 0.793609 0.566730 O\n0.577995 0.206390 0.433271 O\n0.358015 0.738374 0.871835 O\n0.999532 0.848017 0.260718 O\n0.922601 0.835133 0.949603 O\n0.858015 0.261625 0.128165 O\n",
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{
"id": "jvasp-101974",
"created_at": "2022-09-04T14:37:56.116145Z",
"updated_at": "2022-09-04T14:37:56.116165Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.210319 -0.131787 -0.002001\n-2.111169 4.316970 -0.001730\n0.008685 0.009265 19.706980\nSn H C F\n2 24 12 4\ndirect\n0.094879 0.017716 0.526459 Sn\n0.514091 0.913513 0.026446 Sn\n0.165281 0.682063 0.910619 H\n0.481120 0.540567 0.926554 H\n0.988156 0.079062 0.891264 H\n0.665582 0.201176 0.870212 H\n0.620767 0.852205 0.391251 H\n0.443647 0.249178 0.410651 H\n0.127806 0.390662 0.426599 H\n0.213744 0.167646 0.283924 H\n0.892240 0.290821 0.305662 H\n0.716715 0.640432 0.247247 H\n0.395216 0.763618 0.268982 H\n-0.056680 0.730057 0.370201 H\n0.395227 0.763600 0.783898 H\n0.716746 0.640449 0.805639 H\n0.620803 0.852189 0.661647 H\n-0.056615 0.730079 0.682700 H\n0.127831 0.390671 0.626347 H\n0.988219 0.079056 0.161660 H\n0.443680 0.249190 0.642288 H\n0.665672 0.201214 0.182707 H\n0.165336 0.682102 0.142256 H\n0.481164 0.540600 0.126313 H\n0.892226 0.290823 0.747268 H\n0.213751 0.167679 0.769010 H\n0.935310 0.080886 0.302240 C\n0.709672 0.991925 0.873268 C\n0.161819 0.177346 0.423408 C\n0.899255 0.939320 0.373270 C\n0.447110 0.753886 0.923384 C\n0.673655 0.850374 0.250670 C\n0.709726 0.991944 0.179638 C\n0.899293 0.939332 0.679641 C\n0.935319 0.080897 0.750681 C\n0.447162 0.753921 0.129499 C\n0.161850 0.177358 0.629521 C\n0.673654 0.850374 0.802228 C\n0.081940 0.030782 0.026445 F\n0.527028 0.900453 0.526442 F\n0.830239 0.538261 0.526464 F\n0.778751 0.392977 0.026446 F\n",
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{
"id": "jvasp-100829",
"created_at": "2022-09-04T14:36:35.535971Z",
"updated_at": "2022-09-04T14:36:35.536001Z",
"structure_string": "K5 Sb4\n1.0\n6.317481 -0.027912 2.301736\n3.970938 4.913552 2.301736\n-0.003529 -0.001676 11.321513\nK Sb\n5 4\ndirect\n0.096172 0.096172 0.110810 K\n0.898363 0.898361 0.893039 K\n0.750062 0.750061 0.336201 K\n0.244338 0.244337 0.667593 K\n0.996990 0.996989 0.502051 K\n0.451102 0.451101 0.328516 Sb\n0.543419 0.543418 0.675292 Sb\n0.388120 0.388120 0.111097 Sb\n0.606437 0.606436 0.892703 Sb\n",
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{
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"created_at": "2022-09-04T14:36:35.865016Z",
"updated_at": "2022-09-04T14:36:35.865027Z",
"structure_string": "Rb2 Pt1 I6\n1.0\n6.868405 0.000000 3.965475\n2.289468 6.475594 3.965475\n0.000000 0.000000 7.930950\nRb Pt I\n2 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pt\n0.758419 0.241581 0.241581 I\n0.241581 0.758419 0.758419 I\n0.758419 0.241581 0.758419 I\n0.241581 0.758419 0.241580 I\n0.758419 0.758419 0.241580 I\n0.241581 0.241581 0.758419 I\n",
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},
{
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"created_at": "2022-09-04T14:35:42.660132Z",
"updated_at": "2022-09-04T14:35:42.660158Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.404395 -0.000140 0.000163\n-1.702318 2.948570 0.001017\n0.001682 0.013335 35.143388\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333174 0.666392 0.728524 Te\n0.666769 0.333365 0.413563 Te\n0.666413 0.332613 0.520327 Te\n0.333804 0.667627 0.621293 Te\n0.333202 0.666270 0.466975 Mo\n0.666567 0.333041 0.270455 Mo\n0.333310 0.666916 0.090581 W\n0.666917 0.333759 0.674970 W\n0.333009 0.665973 0.317367 Se\n0.333436 0.666791 0.223552 Se\n0.666958 0.334139 0.047671 S\n0.666448 0.333121 0.133471 S\n",
"nsites": 12,
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{
"id": "jvasp-52890",
"created_at": "2022-09-04T14:35:55.300160Z",
"updated_at": "2022-09-04T14:35:55.300188Z",
"structure_string": "K4 Ga4 H16\n1.0\n5.524109 -0.000000 0.000000\n-0.000000 7.186636 0.000000\n0.000000 0.000000 8.886805\nK Ga H\n4 4 16\ndirect\n0.250000 0.333777 0.678365 K\n0.250000 0.166224 0.178365 K\n0.750000 0.666224 0.321635 K\n0.750000 0.833777 0.821635 K\n0.250000 0.690049 0.067831 Ga\n0.250000 0.809952 0.567831 Ga\n0.750000 0.309951 0.932168 Ga\n0.750000 0.190049 0.432168 Ga\n0.484264 0.678474 0.583556 H\n0.015737 0.821527 0.083557 H\n0.015737 0.678474 0.583556 H\n0.484264 0.821527 0.083557 H\n0.515737 0.321527 0.416443 H\n0.984264 0.178474 0.916443 H\n0.750000 0.045890 0.295212 H\n0.750000 0.091321 0.592503 H\n0.250000 0.954111 0.704788 H\n0.250000 0.545890 0.204788 H\n0.515737 0.178474 0.916443 H\n0.750000 0.408679 0.092503 H\n0.250000 0.908679 0.407497 H\n0.250000 0.591322 0.907497 H\n0.750000 0.454111 0.795212 H\n0.984264 0.321527 0.416443 H\n",
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{
"id": "jvasp-102358",
"created_at": "2022-09-04T14:37:01.661721Z",
"updated_at": "2022-09-04T14:37:01.661731Z",
"structure_string": "K3 Mo1 Br6\n1.0\n6.869054 -0.000000 3.965850\n2.289685 6.476206 3.965850\n-0.000000 -0.000000 7.931701\nK Mo Br\n3 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Mo\n0.769084 0.230915 0.230916 Br\n0.230915 0.230915 0.769085 Br\n0.230915 0.769085 0.769085 Br\n0.230915 0.769085 0.230915 Br\n0.769084 0.230915 0.769085 Br\n0.769084 0.769085 0.230916 Br\n",
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}
]
}