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"id": "jvasp-104142",
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"structure_string": "H14 C16 S2 N2\n1.0\n5.738730 0.142826 -0.098870\n3.242388 5.728443 -0.495043\n0.421540 0.286616 10.477452\nH C S N\n14 16 2 2\ndirect\n0.727713 0.687038 0.010094 H\n0.442421 0.028115 0.700425 H\n0.942424 0.028114 0.200425 H\n0.376320 0.384775 0.673072 H\n0.649712 0.500642 0.386292 H\n0.149713 0.500642 0.886292 H\n0.792649 0.205103 0.551518 H\n0.876321 0.384775 0.173073 H\n0.086270 0.777567 0.319392 H\n0.586270 0.777567 0.819391 H\n-0.006468 0.603156 0.233134 H\n0.493531 0.603157 0.733134 H\n0.227713 0.687038 0.510094 H\n0.292649 0.205101 0.051519 H\n0.096883 0.275620 0.622075 C\n0.210470 0.418072 0.612215 C\n0.710469 0.418075 0.112214 C\n0.127753 0.585170 0.520330 C\n0.627757 0.585169 0.020332 C\n0.924479 0.735063 0.314262 C\n0.424480 0.735062 0.814263 C\n0.596885 0.275617 0.122076 C\n0.303329 0.482158 0.951695 C\n0.432569 0.611863 0.934141 C\n0.882487 0.315091 0.545216 C\n0.382488 0.315095 0.045215 C\n0.803330 0.482161 0.451693 C\n0.669903 0.952067 0.271126 C\n0.169902 0.952068 0.771126 C\n0.932569 0.611861 0.434142 C\n0.354535 0.017255 0.305605 S\n0.854535 0.017255 0.805605 S\n0.741312 0.079166 0.198738 N\n0.241316 0.079164 0.698739 N\n",
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"structure_string": "Li2 Co3 Sn1 O8\n1.0\n5.760652 -0.042448 -0.030016\n2.843564 5.010095 -0.030016\n2.843564 1.641733 4.733569\nLi Co Sn O\n2 3 1 8\ndirect\n0.120499 0.120499 0.120499 Li\n0.494700 0.494699 0.494699 Li\n0.012831 0.498183 0.498183 Co\n0.498184 0.498183 0.012830 Co\n0.498183 0.012830 0.498183 Co\n0.888263 0.888262 0.888262 Sn\n0.265086 0.265086 0.265086 O\n0.247259 0.712656 0.247258 O\n0.247259 0.247258 0.712657 O\n0.712657 0.247259 0.247258 O\n0.301303 0.736727 0.736728 O\n0.736728 0.736728 0.301302 O\n0.736728 0.301303 0.736728 O\n0.740319 0.740318 0.740318 O\n",
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{
"id": "jvasp-99567",
"created_at": "2022-09-04T14:36:09.505492Z",
"updated_at": "2022-09-04T14:36:09.505526Z",
"structure_string": "K2 Cu1 Mo1 I6\n1.0\n6.919739 -0.000000 3.995113\n2.306580 6.523992 3.995113\n-0.000000 -0.000000 7.990226\nK Cu Mo I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Mo\n0.748982 0.748981 0.251018 I\n0.748982 0.251019 0.251018 I\n0.251019 0.251019 0.748982 I\n0.748982 0.251019 0.748981 I\n0.251019 0.748981 0.251018 I\n0.251019 0.748981 0.748981 I\n",
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{
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"created_at": "2022-09-04T14:36:19.089048Z",
"updated_at": "2022-09-04T14:36:19.089064Z",
"structure_string": "Li2 Cr1 Fe1 O4\n1.0\n-2.866577 0.000049 -0.000011\n1.433285 -0.812957 -4.762687\n0.000086 -4.926866 0.008777\nLi Cr Fe O\n2 1 1 4\ndirect\n0.502849 0.005699 0.493646 Li\n-0.002850 -0.005699 0.006354 Li\n0.749999 0.500000 0.750001 Cr\n0.249999 0.500000 0.250000 Fe\n0.863301 0.726603 0.375248 O\n0.636698 0.273396 0.124753 O\n0.364525 0.729051 0.879078 O\n0.135472 0.270949 0.620924 O\n",
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{
"id": "jvasp-48292",
"created_at": "2022-09-04T14:36:09.314662Z",
"updated_at": "2022-09-04T14:36:09.314687Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n4.965834 -0.007024 0.002323\n0.070436 5.398901 0.012325\n0.025109 0.074396 6.190866\nLi Fe Si O\n3 2 2 8\ndirect\n0.510738 0.663510 0.252156 Li\n0.507134 0.668138 0.751011 Li\n-0.000693 0.331340 0.749008 Li\n0.008802 0.826352 0.007432 Fe\n0.499697 0.175709 0.490759 Fe\n0.492150 0.167841 0.995359 Si\n0.004899 0.835713 0.505160 Si\n0.614625 0.877312 0.999387 O\n0.163360 0.148466 0.980020 O\n0.578539 0.317007 0.213216 O\n0.122035 0.706049 0.284778 O\n0.117024 0.119919 0.520953 O\n0.669929 0.838875 0.501382 O\n0.103305 0.676951 0.725420 O\n0.602539 0.315887 0.774425 O\n",
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{
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"created_at": "2022-09-04T14:36:38.029552Z",
"updated_at": "2022-09-04T14:36:38.029572Z",
"structure_string": "K2 Na1 Tm1 Cl6\n1.0\n6.406977 -0.000000 3.699070\n2.135659 6.040556 3.699070\n-0.000000 -0.000000 7.398140\nK Na Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tm\n0.754191 0.245809 0.245809 Cl\n0.245809 0.245809 0.754191 Cl\n0.245809 0.754191 0.754191 Cl\n0.245809 0.754191 0.245809 Cl\n0.754191 0.245809 0.754191 Cl\n0.754191 0.754191 0.245809 Cl\n",
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{
"id": "jvasp-99529",
"created_at": "2022-09-04T14:36:14.762450Z",
"updated_at": "2022-09-04T14:36:14.762474Z",
"structure_string": "Sr2 Cu1 S2 Cl2\n1.0\n4.405356 -0.004299 -7.377230\n-0.338915 4.392302 -7.377230\n0.003984 0.004299 8.592477\nSr Cu S Cl\n2 1 2 2\ndirect\n0.374283 0.374283 -0.000000 Sr\n0.625717 0.625717 -0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 S\n-0.000001 0.500000 0.499999 S\n0.189565 0.189565 -0.000000 Cl\n0.810435 0.810434 -0.000001 Cl\n",
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{
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"created_at": "2022-09-04T14:36:31.507652Z",
"updated_at": "2022-09-04T14:36:31.507683Z",
"structure_string": "Mn1 Ni1 Sn1 Pd1\n1.0\n3.829735 0.000000 2.211098\n1.276578 3.610709 2.211098\n0.000000 -0.000000 4.422196\nMn Ni Sn Pd\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.750000 0.750001 Ni\n0.500000 0.500000 0.500001 Sn\n0.250000 0.250000 0.250000 Pd\n",
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{
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"structure_string": "Ca2 Al2 B6 O14\n1.0\n3.997597 -5.896336 0.000000\n3.997597 5.896336 -0.000000\n0.000000 -0.000000 4.400076\nCa Al B O\n2 2 6 14\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.750001 0.750001 0.500001 B\n0.250000 0.250000 0.500001 B\n0.862908 0.137092 0.541852 B\n0.637093 0.362908 0.541852 B\n0.362908 0.637093 0.458149 B\n0.137092 0.862908 0.458149 B\n0.280358 0.426408 0.300527 O\n0.219643 0.073592 0.300527 O\n0.926408 0.780358 0.300527 O\n0.573593 0.719643 0.300527 O\n0.719643 0.573593 0.699474 O\n0.780358 0.926408 0.699474 O\n0.250000 0.750001 0.329316 O\n0.368317 0.631684 0.775885 O\n0.631684 0.368317 0.224116 O\n0.868317 0.131684 0.224116 O\n0.426408 0.280358 0.699474 O\n0.750001 0.250000 0.670685 O\n0.131684 0.868317 0.775885 O\n0.073592 0.219643 0.699474 O\n",
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{
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"structure_string": "Sr2 Fe1 W1 O6\n1.0\n4.774486 0.000000 2.756550\n1.591495 4.501428 2.756550\n0.000000 0.000000 5.513101\nSr Fe W O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 W\n0.249815 0.750184 0.249816 O\n0.750184 0.249816 0.750184 O\n0.249816 0.249816 0.750184 O\n0.750184 0.750184 0.249816 O\n0.249815 0.750184 0.750184 O\n0.750184 0.249816 0.249816 O\n",
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{
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"created_at": "2022-09-04T14:36:13.863080Z",
"updated_at": "2022-09-04T14:36:13.863113Z",
"structure_string": "Ba2 Cd1 B6 O12\n1.0\n6.095456 -3.607453 -0.043977\n6.095456 3.607453 -0.043977\n4.002946 0.000000 5.843513\nBa Cd B O\n2 1 6 12\ndirect\n0.789155 0.789155 0.789152 Ba\n0.210847 0.210847 0.210846 Ba\n0.000000 0.000000 0.000000 Cd\n0.634080 0.757531 0.367597 B\n0.367599 0.634079 0.757529 B\n0.757530 0.367599 0.634078 B\n0.365922 0.242471 0.632401 B\n0.632402 0.365922 0.242470 B\n0.242471 0.632402 0.365921 B\n0.576271 0.200913 0.456383 O\n0.799089 0.543617 0.423729 O\n0.543617 0.423731 0.799087 O\n0.423731 0.799089 0.543616 O\n0.085527 0.837500 0.336132 O\n0.162502 0.663868 0.914473 O\n0.336134 0.085526 0.837499 O\n0.914475 0.162502 0.663866 O\n0.456384 0.576271 0.200911 O\n0.663868 0.914475 0.162500 O\n0.837500 0.336134 0.085525 O\n0.200913 0.456384 0.576270 O\n",
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"created_at": "2022-09-04T14:36:32.511160Z",
"updated_at": "2022-09-04T14:36:32.511180Z",
"structure_string": "Zn2 Ga1 Cu1 Te4\n1.0\n5.594157 0.004401 -4.984575\n-1.121645 5.480559 -4.984575\n-0.003589 -0.004401 7.492701\nZn Ga Cu Te\n2 1 1 4\ndirect\n0.750000 0.250000 0.500001 Zn\n0.250001 0.750000 0.500001 Zn\n0.500001 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Cu\n0.367781 0.367780 0.489896 Te\n0.122115 0.632220 0.000001 Te\n0.877887 0.877885 0.510107 Te\n0.632220 0.122114 0.000001 Te\n",
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]
}