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{
"id": "jvasp-28582",
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"structure_string": "Mo4 Se4 S4\n1.0\n3.257884 0.000000 0.000000\n-1.628942 2.821338 0.000781\n0.000000 -0.000944 25.664819\nMo Se S\n4 4 4\ndirect\n0.333879 0.667758 0.005446 Mo\n0.332911 0.665822 0.496145 Mo\n0.667089 0.334180 0.255313 Mo\n0.666121 0.332244 0.746012 Mo\n0.332711 0.665425 0.812190 Se\n0.667290 0.334578 0.939268 Se\n0.667145 0.334293 0.071602 Se\n0.332855 0.665709 0.679856 Se\n0.333679 0.667360 0.315533 S\n0.666321 0.332642 0.435925 S\n0.666175 0.332349 0.556394 S\n0.333825 0.667652 0.195064 S\n",
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{
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{
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"structure_string": "Ba4 Nb1 Ge1\n1.0\n0.000000 4.904230 4.904230\n4.904230 -0.000000 4.904230\n4.904230 4.904230 -0.000000\nBa Nb Ge\n4 1 1\ndirect\n0.126873 0.624376 0.624376 Ba\n0.624376 0.624376 0.624376 Ba\n0.624376 0.126873 0.624376 Ba\n0.624376 0.624376 0.126873 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ge\n",
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"volume": 235.90790000263394,
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{
"id": "jvasp-112445",
"created_at": "2022-09-04T14:38:41.395289Z",
"updated_at": "2022-09-04T14:38:41.395317Z",
"structure_string": "Hf4 Cr4 O12\n1.0\n4.842573 -0.000000 0.000000\n0.000000 5.299980 0.000000\n-0.000000 -0.000000 9.191921\nHf Cr O\n4 4 12\ndirect\n0.046209 0.952762 0.750000 Hf\n0.453791 0.452762 0.750000 Hf\n0.546209 0.547238 0.250000 Hf\n0.953790 0.047238 0.250000 Hf\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n-0.000000 0.500000 -0.000000 Cr\n0.500000 0.000000 -0.000000 Cr\n0.710290 0.280233 0.399553 O\n0.710290 0.280233 0.100447 O\n0.289709 0.719767 0.899553 O\n0.289709 0.719767 0.600447 O\n0.210290 0.219767 0.899553 O\n0.316061 0.872079 0.250000 O\n0.816060 0.627921 0.750000 O\n0.683939 0.127922 0.750000 O\n0.789709 0.780233 0.100447 O\n0.183939 0.372078 0.250000 O\n0.210290 0.219767 0.600447 O\n0.789709 0.780233 0.399553 O\n",
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{
"id": "jvasp-28773",
"created_at": "2022-09-04T14:37:10.202841Z",
"updated_at": "2022-09-04T14:37:10.202862Z",
"structure_string": "Mo4 Se4 S4\n1.0\n3.257834 -0.000124 0.009504\n-1.628847 2.821421 -0.001843\n-0.075753 -0.025630 25.666487\nMo Se S\n4 4 4\ndirect\n0.333993 0.666991 0.005291 Mo\n0.332695 0.666399 0.496050 Mo\n0.667950 0.334058 0.246169 Mo\n0.665364 0.332556 0.755406 Mo\n0.332051 0.665863 0.821559 Se\n0.666031 0.333094 0.429897 Se\n0.666009 0.333035 0.562225 Se\n0.332019 0.665917 0.689232 Se\n0.334626 0.667373 0.306416 S\n0.667294 0.333664 -0.054957 S\n0.667342 0.333645 0.065509 S\n0.334621 0.667412 0.185951 S\n",
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{
"id": "jvasp-109093",
"created_at": "2022-09-04T14:38:18.058425Z",
"updated_at": "2022-09-04T14:38:18.058443Z",
"structure_string": "Yb6 Pb2\n1.0\n6.998076 -0.000000 0.000000\n-3.499038 6.060512 0.000000\n-0.000000 -0.000000 5.563048\nYb Pb\n6 2\ndirect\n0.171964 0.343927 0.250000 Yb\n0.656073 0.828036 0.250000 Yb\n0.171964 0.828036 0.250000 Yb\n0.828036 0.656073 0.750000 Yb\n0.343927 0.171964 0.750000 Yb\n0.828036 0.171964 0.750000 Yb\n0.333333 0.666666 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n",
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},
{
"id": "jvasp-50389",
"created_at": "2022-09-04T14:37:03.309864Z",
"updated_at": "2022-09-04T14:37:03.309884Z",
"structure_string": "Rb4 Zr2 O6\n1.0\n5.387121 3.700209 0.000000\n-5.387121 3.700209 0.000000\n0.000000 0.000000 5.918273\nRb Zr O\n4 2 6\ndirect\n0.480735 0.806630 0.249265 Rb\n0.193370 0.519265 0.749264 Rb\n0.519265 0.193370 0.749264 Rb\n0.806630 0.480735 0.249265 Rb\n0.911823 0.911823 0.738252 Zr\n0.088177 0.088177 0.238253 Zr\n0.131442 0.880676 0.492339 O\n0.119324 0.868559 0.992339 O\n0.652397 0.652397 0.718539 O\n0.347603 0.347603 0.218539 O\n0.868559 0.119324 0.992339 O\n0.880676 0.131442 0.492339 O\n",
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"volume": 235.9434773042987,
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"spacegroup": 36
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{
"id": "jvasp-21051",
"created_at": "2022-09-04T14:38:33.923786Z",
"updated_at": "2022-09-04T14:38:33.923805Z",
"structure_string": "Ag6 As2 O8\n1.0\n6.179263 -0.000000 -0.000000\n0.000000 6.179263 -0.000000\n-0.000000 -0.000000 6.179263\nAg As O\n6 2 8\ndirect\n0.000000 0.500000 0.250000 Ag\n0.000000 0.500000 0.750000 Ag\n0.750000 0.000000 0.500000 Ag\n0.500000 0.250000 0.000000 Ag\n0.250000 0.000000 0.500000 Ag\n0.500000 0.750000 0.000000 Ag\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 As\n0.837562 0.837562 0.837562 O\n0.662438 0.337562 0.662438 O\n0.337562 0.662438 0.662438 O\n0.662438 0.662438 0.337562 O\n0.337562 0.337562 0.337562 O\n0.162438 0.162438 0.837562 O\n0.162438 0.837562 0.162438 O\n0.837562 0.162438 0.162438 O\n",
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{
"id": "jvasp-55732",
"created_at": "2022-09-04T14:38:36.277967Z",
"updated_at": "2022-09-04T14:38:36.277987Z",
"structure_string": "K4 Li2 Al2 H12\n1.0\n5.504749 -0.000000 0.000000\n0.000000 5.504748 0.000000\n0.000000 0.000000 7.786821\nK Li Al H\n4 2 2 12\ndirect\n0.000000 0.500000 0.249986 K\n0.000000 0.500000 0.750014 K\n0.500000 0.000000 0.749986 K\n0.500000 0.000000 0.250014 K\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.270114 0.270153 0.500000 H\n0.729887 0.270153 0.500000 H\n0.729887 0.729848 0.500000 H\n0.270114 0.729848 0.500000 H\n0.000000 0.000000 0.770228 H\n0.229887 0.229848 0.000000 H\n0.770114 0.770153 0.000000 H\n0.229887 0.770153 0.000000 H\n0.500000 0.500000 0.729771 H\n0.770114 0.229848 0.000000 H\n0.000000 0.000000 0.229771 H\n0.500000 0.500000 0.270229 H\n",
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"volume": 235.95824374390568,
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{
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"created_at": "2022-09-04T14:38:35.655187Z",
"updated_at": "2022-09-04T14:38:35.655201Z",
"structure_string": "Zn4 Sn2 Sb2 O12\n1.0\n0.000000 5.414818 -0.009724\n8.043126 0.000000 0.000000\n0.000000 -0.001640 -5.417855\nZn Sn Sb O\n4 2 2 12\ndirect\n0.528429 0.750000 0.511090 Zn\n0.471572 0.250000 0.488908 Zn\n0.022781 0.750000 0.988575 Zn\n0.977219 0.250000 0.011423 Zn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.329248 0.572636 0.337893 O\n0.899773 0.750000 0.628047 O\n0.670753 0.072635 0.662106 O\n0.596390 0.250000 0.121018 O\n0.832307 0.927909 0.168157 O\n0.167693 0.072091 0.831842 O\n0.832307 0.572091 0.168157 O\n0.329248 0.927365 0.337893 O\n0.403610 0.750000 0.878980 O\n0.670753 0.427365 0.662106 O\n0.167693 0.427909 0.831842 O\n0.100227 0.250000 0.371951 O\n",
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{
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"created_at": "2022-09-04T14:38:15.427345Z",
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"structure_string": "K2 Zn3 Si1 As4\n1.0\n7.668713 0.057223 0.000000\n-5.528445 5.314954 0.000000\n0.000000 0.000000 5.744573\nK Zn Si As\n2 3 1 4\ndirect\n0.500000 -0.000000 0.255074 K\n0.000000 0.500000 0.744925 K\n0.500000 0.499999 0.500000 Zn\n0.500000 0.499999 -0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Si\n0.657218 0.874774 0.766357 As\n0.125225 0.342781 0.233642 As\n0.874774 0.657218 0.233642 As\n0.342781 0.125225 0.766357 As\n",
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{
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"created_at": "2022-09-04T14:35:54.235895Z",
"updated_at": "2022-09-04T14:35:54.235915Z",
"structure_string": "Li2 Si4 Bi2 O12\n1.0\n5.031878 4.610769 0.136345\n-5.031878 4.610769 -0.136345\n-1.539762 0.000000 5.044088\nLi Si Bi O\n2 4 2 12\ndirect\n0.088691 0.088690 0.750000 Li\n0.911310 0.911310 0.250000 Li\n0.189490 0.625021 0.726189 Si\n0.374979 0.810511 0.226189 Si\n0.625021 0.189489 0.773812 Si\n0.810511 0.374979 0.273812 Si\n0.722444 0.722444 0.750000 Bi\n0.277556 0.277556 0.250000 Bi\n0.887423 0.603914 0.179767 O\n0.684877 0.361110 0.519220 O\n0.396086 0.112577 0.679767 O\n0.638890 0.315124 0.019219 O\n0.361110 0.684876 0.980781 O\n0.208006 0.980613 0.142646 O\n0.315124 0.638890 0.480781 O\n0.112577 0.396086 0.820233 O\n0.791994 0.019387 0.857354 O\n0.019387 0.791994 0.642647 O\n0.603914 0.887423 0.320233 O\n0.980613 0.208006 0.357354 O\n",
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]
}