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{
"id": "jvasp-9145",
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"updated_at": "2022-09-04T14:38:18.754174Z",
"structure_string": "Al4 Zn2 O8\n1.0\n4.995830 0.000000 2.884344\n1.665276 4.710114 2.884344\n-0.000000 0.000000 5.768687\nAl Zn O\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000001 Al\n0.500000 0.500000 0.500000 Al\n0.875001 0.874999 0.874999 Zn\n0.125000 0.125000 0.125000 Zn\n0.735634 0.735632 0.735632 O\n0.264367 0.264367 0.706898 O\n0.264368 0.706897 0.264366 O\n0.706898 0.264367 0.264367 O\n0.735633 0.293102 0.735633 O\n0.293103 0.735632 0.735633 O\n0.264367 0.264367 0.264367 O\n0.735634 0.735632 0.293101 O\n",
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{
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"structure_string": "Al1 Zn1 Rh2\n1.0\n-0.000000 3.009527 3.009527\n3.009527 0.000000 3.009527\n3.009527 3.009527 -0.000000\nAl Zn Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Al\n0.750001 0.750001 0.750001 Zn\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
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{
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"structure_string": "Al2 Zn1 S4\n1.0\n3.760386 -3.760386 -0.000000\n3.760386 3.760386 -0.000000\n-3.760386 0.000000 5.194575\nAl Zn S\n2 1 4\ndirect\n0.500001 0.500001 0.000000 Al\n0.250000 0.750001 0.500000 Al\n0.000000 0.000000 0.000000 Zn\n0.615189 0.129650 0.738446 S\n0.123258 0.608796 0.738446 S\n0.870351 0.876743 0.261555 S\n0.391205 0.384812 0.261555 S\n",
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"volume": 146.9078053814298,
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"spacegroup": 82
},
{
"id": "jvasp-94964",
"created_at": "2022-09-04T14:36:32.369041Z",
"updated_at": "2022-09-04T14:36:32.369075Z",
"structure_string": "Al2 Zn1 S4\n1.0\n-1.842991 3.192155 0.000000\n-3.685982 -0.000000 -0.000000\n-1.842991 1.064051 12.151464\nAl Zn S\n2 1 4\ndirect\n0.236692 0.236692 0.289922 Al\n0.762163 0.762164 0.713506 Al\n0.999425 0.999426 0.001721 Zn\n0.122127 0.122127 0.633619 S\n0.876732 0.876733 0.369801 S\n0.702419 0.702421 0.892738 S\n0.296436 0.296436 0.110691 S\n",
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{
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"created_at": "2022-09-04T14:36:31.937518Z",
"updated_at": "2022-09-04T14:36:31.937542Z",
"structure_string": "Al2 Zn1 S4\n1.0\n-1.841947 -3.190343 -0.000002\n-1.841944 3.190341 0.000000\n-0.000007 -0.000004 -11.824402\nAl Zn S\n2 1 4\ndirect\n0.666642 0.333322 0.924412 Al\n0.333326 0.666664 0.615566 Al\n0.999973 0.999987 0.302025 Zn\n0.999974 0.999989 0.997309 S\n-0.000009 -0.000004 0.519196 S\n0.666653 0.333327 0.734078 S\n0.666640 0.333321 0.239412 S\n",
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"formula_full": "Al2 Zn1 S4",
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"spacegroup": 156
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{
"id": "jvasp-107367",
"created_at": "2022-09-04T14:36:58.382718Z",
"updated_at": "2022-09-04T14:36:58.382734Z",
"structure_string": "Al2 Zn1 S4\n1.0\n3.666488 -0.000000 0.000000\n0.000000 6.124577 0.040891\n-0.000000 0.006266 6.550943\nAl Zn S\n2 1 4\ndirect\n0.500000 0.519120 0.171351 Al\n0.500000 0.975393 0.850082 Al\n-0.000000 0.510905 0.651717 Zn\n-0.000000 0.892169 0.654280 S\n0.500000 0.876831 0.170530 S\n0.500000 0.363823 0.843508 S\n-0.000000 0.361763 0.325180 S\n",
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},
{
"id": "jvasp-9688",
"created_at": "2022-09-04T14:38:12.689258Z",
"updated_at": "2022-09-04T14:38:12.689279Z",
"structure_string": "Al4 Zn2 S8\n1.0\n6.169262 -0.000000 3.561825\n2.056421 5.816436 3.561825\n-0.000000 -0.000000 7.123650\nAl Zn S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.125000 0.125000 0.125000 Zn\n0.874999 0.875001 0.875001 Zn\n0.259548 0.259548 0.721355 S\n0.740452 0.740453 0.740453 S\n0.259548 0.259548 0.259548 S\n0.740452 0.740453 0.278646 S\n0.278645 0.740453 0.740453 S\n0.740452 0.278645 0.740453 S\n0.721355 0.259548 0.259549 S\n0.259548 0.721356 0.259549 S\n",
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"spacegroup": 227
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{
"id": "jvasp-94826",
"created_at": "2022-09-04T14:36:06.928052Z",
"updated_at": "2022-09-04T14:36:06.928072Z",
"structure_string": "Al2 Zn1 S4\n1.0\n-1.840295 -3.187484 0.000000\n1.840295 -3.187484 0.000000\n0.000000 -2.124990 11.857800\nAl Zn S\n2 1 4\ndirect\n0.000565 0.000565 0.998307 Al\n0.231038 0.231038 0.306885 Al\n0.771612 0.771612 0.685163 Zn\n0.125915 0.125915 0.622254 S\n0.873301 0.873301 0.380092 S\n0.699201 0.699201 0.902395 S\n0.294365 0.294365 0.116903 S\n",
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"formula_full": "Al2 Zn1 S4",
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"spacegroup": 160
},
{
"id": "jvasp-102804",
"created_at": "2022-09-04T14:37:06.415678Z",
"updated_at": "2022-09-04T14:37:06.415733Z",
"structure_string": "Al2 Zn1 Se4\n1.0\n3.861391 -0.000000 0.000000\n0.000000 6.469926 0.038431\n0.000000 0.001396 6.888171\nAl Zn Se\n2 1 4\ndirect\n0.500000 0.521040 0.171733 Al\n0.500000 0.972446 0.851125 Al\n-0.000000 0.512236 0.651715 Zn\n-0.000000 0.893232 0.646031 Se\n0.500000 0.882242 0.178129 Se\n0.500000 0.364611 0.841588 Se\n-0.000000 0.354197 0.326328 Se\n",
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"spacegroup": 6
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{
"id": "jvasp-2664",
"created_at": "2022-09-04T14:36:43.495280Z",
"updated_at": "2022-09-04T14:36:43.495309Z",
"structure_string": "Al2 Zn1 Se4\n1.0\n5.092089 -0.000000 -2.294917\n-1.034279 4.985944 -2.294917\n-0.021670 -0.026627 6.748681\nAl Zn Se\n2 1 4\ndirect\n0.250000 0.749999 0.499999 Al\n0.500000 0.500000 -0.000001 Al\n0.000000 0.000000 0.000000 Zn\n0.398579 0.378870 0.266233 Se\n0.112638 0.601420 0.733766 Se\n0.621129 0.132346 0.733766 Se\n0.867653 0.887361 0.266232 Se\n",
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{
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"created_at": "2022-09-04T14:36:35.226466Z",
"updated_at": "2022-09-04T14:36:35.226483Z",
"structure_string": "Al2 Zn1 Te4\n1.0\n5.537331 -0.000001 -2.440335\n-1.075469 5.431887 -2.440335\n-0.070261 -0.085535 7.343083\nAl Zn Te\n2 1 4\ndirect\n0.250000 0.750001 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.000000 0.000000 0.000000 Zn\n0.401171 0.371073 0.267546 Te\n0.103528 0.598830 0.732455 Te\n0.628927 0.133627 0.732455 Te\n0.866374 0.896473 0.267546 Te\n",
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{
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"structure_string": "As8 C8 F24\n1.0\n10.374939 -0.000000 -0.000000\n0.000000 10.374939 0.000000\n0.000000 -0.000000 6.207467\nAs C F\n8 8 24\ndirect\n0.340415 0.500000 0.926982 As\n0.659585 0.500000 0.926982 As\n0.000000 0.159585 0.426982 As\n0.000000 0.840415 0.426982 As\n0.840415 0.000000 0.573019 As\n0.159585 0.000000 0.573019 As\n0.500000 0.340415 0.073019 As\n0.500000 0.659585 0.073019 As\n0.500000 0.768795 0.798182 C\n0.500000 0.231205 0.798182 C\n0.731205 0.000000 0.298182 C\n0.268795 0.000000 0.298182 C\n0.000000 0.268795 0.701818 C\n0.768795 0.500000 0.201818 C\n0.231205 0.500000 0.201818 C\n0.000000 0.731205 0.701818 C\n0.653094 0.893970 0.294521 F\n0.153094 0.393970 0.205480 F\n0.846906 0.606030 0.205480 F\n0.606030 0.846906 0.794521 F\n0.393970 0.153094 0.794521 F\n0.653094 0.106030 0.294521 F\n0.346906 0.893970 0.294521 F\n0.393970 0.846906 0.794521 F\n0.606030 0.153094 0.794521 F\n0.346906 0.106030 0.294521 F\n0.893970 0.653094 0.705480 F\n0.000000 0.798851 0.890556 F\n0.846906 0.393970 0.205480 F\n0.153094 0.606030 0.205480 F\n0.500000 0.701149 0.609444 F\n0.500000 0.298851 0.609444 F\n0.201149 0.000000 0.109444 F\n0.798851 0.000000 0.109444 F\n0.893970 0.346906 0.705480 F\n0.000000 0.201149 0.890556 F\n0.701149 0.500000 0.390556 F\n0.298851 0.500000 0.390556 F\n0.106030 0.346906 0.705480 F\n0.106030 0.653094 0.705480 F\n",
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}