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{
"id": "jvasp-30715",
"created_at": "2022-09-04T14:38:14.033292Z",
"updated_at": "2022-09-04T14:38:14.033301Z",
"structure_string": "Sn1 W2 O8\n1.0\n4.330616 -0.126023 -2.472383\n-0.958346 5.818085 -2.073628\n-0.506634 0.035829 6.388453\nSn W O\n1 2 8\ndirect\n0.124695 0.223238 0.099691 Sn\n0.915405 0.426073 0.632890 W\n0.333992 0.020406 0.566497 W\n0.201155 0.683097 0.831354 O\n0.538016 0.492206 0.372862 O\n0.205754 0.193039 0.801500 O\n0.452430 0.055038 0.341840 O\n0.711378 0.954270 0.826522 O\n0.048236 0.763382 0.368031 O\n0.043639 0.253442 0.397885 O\n0.796965 0.391439 0.857543 O\n",
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{
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"structure_string": "Zr1 Be1 Mo1\n1.0\n1.414229 -2.449516 0.000000\n1.414229 2.449516 -0.000000\n-0.000000 0.000000 7.004335\nZr Be Mo\n1 1 1\ndirect\n0.333333 0.666668 0.682473 Zr\n0.000000 0.000000 0.016505 Be\n0.666668 0.333333 0.301021 Mo\n",
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"spacegroup": 156
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{
"id": "jvasp-42248",
"created_at": "2022-09-04T14:36:04.687279Z",
"updated_at": "2022-09-04T14:36:04.687310Z",
"structure_string": "Ta6 O15\n1.0\n7.040888 0.000276 -0.000081\n-0.000171 7.208322 -0.007948\n-3.520250 -3.359510 5.406229\nTa O\n6 15\ndirect\n0.240844 0.991827 0.009436 Ta\n0.298492 0.578212 0.596982 Ta\n0.768589 0.991824 0.009432 Ta\n0.233953 0.984744 0.467908 Ta\n0.779509 0.033412 0.559017 Ta\n0.730951 0.480388 0.461904 Ta\n0.419114 0.295737 0.228102 O\n0.153793 0.037098 0.709574 O\n0.953293 0.087870 0.906590 O\n0.823098 0.329248 0.646197 O\n0.049264 0.885846 0.098523 O\n0.182910 0.664310 0.365817 O\n0.269740 0.291694 0.539479 O\n0.862690 0.972608 0.308280 O\n0.808993 0.295737 0.228102 O\n0.704102 0.713774 0.408201 O\n0.462625 0.870264 0.925249 O\n0.445592 0.972608 0.308283 O\n0.083848 0.657233 0.705857 O\n0.622011 0.657230 0.705853 O\n0.555778 0.037098 0.709573 O\n",
"nsites": 21,
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"elements": [
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{
"id": "jvasp-96258",
"created_at": "2022-09-04T14:36:09.519007Z",
"updated_at": "2022-09-04T14:36:09.519023Z",
"structure_string": "K3 B12 H12 Br1\n1.0\n6.783660 -0.005350 -0.416018\n-0.441985 6.769248 -0.416018\n-0.005017 -0.005350 6.796402\nK B H Br\n3 12 12 1\ndirect\n0.500000 0.500000 -0.000000 K\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.873919 0.873918 0.164526 B\n0.873918 0.164527 0.873917 B\n0.835473 0.126082 0.126082 B\n0.126082 0.126082 0.835473 B\n0.126083 0.835473 0.126082 B\n0.062225 0.062225 0.241065 B\n0.164527 0.873918 0.873917 B\n0.241065 0.062225 0.062225 B\n0.758935 0.937775 0.937774 B\n0.937775 0.937775 0.758934 B\n0.937775 0.758935 0.937774 B\n0.062225 0.241065 0.062225 B\n0.278727 0.782033 0.782032 H\n0.721273 0.217967 0.217967 H\n0.217967 0.217967 0.721273 H\n0.217967 0.721273 0.217967 H\n0.892479 0.892479 0.588152 H\n0.411847 0.107521 0.107521 H\n0.588153 0.892479 0.892478 H\n0.107521 0.107521 0.411847 H\n0.107521 0.411847 0.107521 H\n0.782033 0.278727 0.782032 H\n0.892479 0.588153 0.892478 H\n0.782033 0.782033 0.278727 H\n0.500000 0.500000 0.500000 Br\n",
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"formula_full": "K3 B12 H12 Br1",
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{
"id": "jvasp-21582",
"created_at": "2022-09-04T14:36:51.558051Z",
"updated_at": "2022-09-04T14:36:51.558085Z",
"structure_string": "Mn2 Nb6 S12\n1.0\n2.921146 -5.059573 0.000000\n2.921146 5.059573 -0.000000\n-0.000000 0.000000 12.297703\nMn Nb S\n2 6 12\ndirect\n0.666668 0.333334 0.250000 Mn\n0.333334 0.666668 0.750000 Mn\n0.333334 0.666668 0.498786 Nb\n0.666668 0.333334 0.998786 Nb\n0.666668 0.333334 0.501214 Nb\n0.333334 0.666668 0.001214 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.330040 0.997367 0.128415 S\n0.332674 0.330040 0.628415 S\n0.669961 0.002635 0.628415 S\n0.330040 0.332674 0.371585 S\n0.667328 0.997367 0.371585 S\n0.669962 0.667328 0.871585 S\n0.002635 0.669961 0.371585 S\n0.997367 0.330040 0.871585 S\n0.002634 0.332673 0.128415 S\n0.332673 0.002634 0.871585 S\n0.667328 0.669962 0.128415 S\n0.997367 0.667328 0.628415 S\n",
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{
"id": "jvasp-8342",
"created_at": "2022-09-04T14:37:07.066892Z",
"updated_at": "2022-09-04T14:37:07.066914Z",
"structure_string": "Mn2 Zn1 N2\n1.0\n3.605723 0.000000 0.000000\n0.000000 3.605620 0.000000\n0.000000 0.000000 4.973881\nMn Zn N\n2 1 2\ndirect\n0.500000 0.500000 0.003484 Mn\n0.500000 0.500000 0.496520 Mn\n0.000000 0.000000 0.749995 Zn\n0.000000 0.500000 0.495587 N\n0.500000 0.000000 0.004414 N\n",
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},
{
"id": "jvasp-64914",
"created_at": "2022-09-04T14:38:16.988548Z",
"updated_at": "2022-09-04T14:38:16.988566Z",
"structure_string": "Mn4 Be1 Te1\n1.0\n0.000000 3.401820 3.401820\n3.401820 -0.000000 3.401820\n3.401820 3.401820 -0.000000\nMn Be Te\n4 1 1\ndirect\n0.373449 0.373449 0.373449 Mn\n0.373449 0.879655 0.373449 Mn\n0.373449 0.373449 0.879655 Mn\n0.879655 0.373449 0.373449 Mn\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Te\n",
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{
"id": "jvasp-114698",
"created_at": "2022-09-04T14:38:41.780645Z",
"updated_at": "2022-09-04T14:38:41.780681Z",
"structure_string": "Hf1 Sn1 C1\n1.0\n3.140579 1.486029 0.000000\n0.651926 6.736423 0.000000\n0.000000 0.000000 3.230053\nHf Sn C\n1 1 1\ndirect\n0.004011 -0.150009 0.000000 Hf\n-0.066625 0.420488 0.000000 Sn\n0.299589 0.054618 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:38:40.248886Z",
"updated_at": "2022-09-04T14:38:40.248902Z",
"structure_string": "V4 Pb8 N12\n1.0\n6.231629 -0.003978 0.000000\n9.834747 5.080385 0.000000\n-0.000000 -0.000000 12.632525\nV Pb N\n4 8 12\ndirect\n0.000000 0.254061 0.837529 V\n0.000001 0.745938 0.162471 V\n0.000000 0.245939 0.337529 V\n0.000001 0.754060 0.662471 V\n0.000001 0.364800 0.075542 Pb\n0.000002 0.864800 0.424457 Pb\n0.000000 0.135199 0.575542 Pb\n0.000001 0.635199 0.924457 Pb\n0.000000 0.062027 0.130508 Pb\n0.000001 0.562026 0.369492 Pb\n0.000001 0.437973 0.630508 Pb\n0.000002 0.937972 0.869491 Pb\n0.500001 0.519944 0.250000 N\n0.000000 0.148875 0.949902 N\n0.000002 0.851124 0.050098 N\n0.000001 0.351125 0.449902 N\n0.000001 0.648874 0.550097 N\n0.000001 0.407903 0.884935 N\n0.000001 0.592096 0.115064 N\n0.000000 0.092097 0.384935 N\n0.000002 0.907902 0.615064 N\n0.500001 0.480054 0.750000 N\n0.500000 0.019945 0.250000 N\n0.500002 0.980054 0.750000 N\n",
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{
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"updated_at": "2022-09-04T14:38:15.361619Z",
"structure_string": "Li3 Co1 N6 O12\n1.0\n6.219498 -0.240887 -0.187916\n1.772131 5.966552 -0.187916\n1.772131 1.269658 5.832925\nLi Co N O\n3 1 6 12\ndirect\n0.266852 0.266852 0.266852 Li\n0.500000 0.500000 0.500000 Li\n0.733149 0.733148 0.733148 Li\n0.000000 0.000000 0.000000 Co\n0.206229 0.206229 0.833210 N\n0.206229 0.833209 0.206229 N\n0.166790 0.793771 0.793771 N\n0.833210 0.206229 0.206229 N\n0.793771 0.166790 0.793771 N\n0.793771 0.793770 0.166790 N\n0.935275 0.296520 0.296519 O\n0.703480 0.064725 0.703480 O\n0.703481 0.703480 0.064724 O\n0.378176 0.750632 0.750632 O\n0.621824 0.249367 0.249367 O\n0.249367 0.249367 0.621824 O\n0.296520 0.935275 0.296519 O\n0.064725 0.703480 0.703480 O\n0.249368 0.621824 0.249367 O\n0.750633 0.750632 0.378176 O\n0.296520 0.296520 0.935275 O\n0.750633 0.378176 0.750632 O\n",
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"formula_full": "Li3 Co1 N6 O12",
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{
"id": "jvasp-98030",
"created_at": "2022-09-04T14:35:50.662741Z",
"updated_at": "2022-09-04T14:35:50.662771Z",
"structure_string": "Mo6 S6 Br2\n1.0\n6.527598 -0.001178 -0.506797\n-0.547578 6.504590 -0.506796\n-0.001083 -0.001178 6.547242\nMo S Br\n6 6 2\ndirect\n0.408253 0.548615 0.222373 Mo\n0.222374 0.408253 0.548615 Mo\n0.548616 0.222373 0.408253 Mo\n0.591747 0.451384 0.777626 Mo\n0.777627 0.591746 0.451384 Mo\n0.451385 0.777626 0.591746 Mo\n0.132482 0.719226 0.375900 S\n0.375901 0.132482 0.719226 S\n0.719226 0.375901 0.132482 S\n0.867518 0.280774 0.624098 S\n0.624099 0.867518 0.280773 S\n0.280774 0.624099 0.867517 S\n0.187049 0.187048 0.187048 Br\n0.812952 0.812951 0.812950 Br\n",
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}
]
}