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"results": [
{
"id": "jvasp-19337",
"created_at": "2022-09-04T14:38:36.454129Z",
"updated_at": "2022-09-04T14:38:36.454141Z",
"structure_string": "Mg4 Mo4 F20\n1.0\n0.000000 5.059353 0.029718\n10.200054 0.000000 0.000000\n0.000000 -2.403694 -7.226537\nMg Mo F\n4 4 20\ndirect\n0.526197 0.008358 0.219892 Mg\n0.473803 0.508358 0.280108 Mg\n0.473803 0.991642 0.780108 Mg\n0.526198 0.491642 0.719892 Mg\n0.105745 0.759034 0.369514 Mo\n0.894255 0.259034 0.130486 Mo\n0.894256 0.240965 0.630486 Mo\n0.105745 0.740965 0.869514 Mo\n0.128172 0.085938 0.748415 F\n0.237520 0.140402 0.174058 F\n0.762480 0.640402 0.325942 F\n0.850421 0.164512 0.366677 F\n0.237521 0.359597 0.674058 F\n0.149578 0.664511 0.133323 F\n0.871828 0.585937 0.751585 F\n0.762480 0.859597 0.825942 F\n0.871828 0.914062 0.251585 F\n0.645451 0.101417 0.007621 F\n0.354549 0.898583 0.992379 F\n0.645452 0.398583 0.507621 F\n0.850422 0.335488 0.866677 F\n0.354548 0.601416 0.492379 F\n0.432437 0.614864 0.889403 F\n0.567564 0.114864 0.610597 F\n0.567564 0.385136 0.110597 F\n0.432436 0.885135 0.389403 F\n0.128172 0.414062 0.248415 F\n0.149579 0.835488 0.633323 F\n",
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{
"id": "jvasp-59867",
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"structure_string": "Ti4 Zn2 S8\n1.0\n7.051031 -0.024921 -0.003800\n-0.110139 7.050314 -0.000768\n-3.512181 -3.468476 5.035844\nTi Zn S\n4 2 8\ndirect\n-0.000000 0.500000 -0.000000 Ti\n-0.000000 0.499999 0.499999 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000000 0.500000 Zn\n0.240776 0.249131 0.991639 S\n0.249295 0.743887 0.994563 S\n0.757480 0.249146 0.508370 S\n0.750682 0.745247 0.494560 S\n0.242519 0.750852 0.491629 S\n0.750704 0.256111 0.005436 S\n0.249317 0.254752 0.505439 S\n0.759223 0.750868 0.008360 S\n",
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"formula_full": "Ti4 Zn2 S8",
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"spacegroup": 74
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{
"id": "jvasp-42969",
"created_at": "2022-09-04T14:37:27.457875Z",
"updated_at": "2022-09-04T14:37:27.457903Z",
"structure_string": "Li2 Sb2 P4 O16\n1.0\n0.000000 4.836965 0.017339\n5.784516 0.000000 0.000000\n0.000000 -0.155246 -9.846560\nLi Sb P O\n2 2 4 16\ndirect\n0.601540 0.250000 0.221010 Li\n0.398460 0.750001 0.778990 Li\n0.062851 0.750001 0.276546 Sb\n0.937150 0.250000 0.723454 Sb\n0.635776 0.750001 0.086203 P\n0.111581 0.250000 0.413193 P\n0.888419 0.750001 0.586807 P\n0.364224 0.250000 0.913797 P\n0.203225 0.045792 0.835804 O\n0.203225 0.454208 0.835804 O\n0.737519 0.534564 0.653017 O\n0.737519 0.965437 0.653017 O\n0.192822 0.750001 0.607179 O\n0.199004 0.250000 0.568363 O\n0.800996 0.750001 0.431637 O\n0.796775 0.545792 0.164196 O\n0.262482 0.465437 0.346983 O\n0.262482 0.034564 0.346983 O\n0.675385 0.250000 0.873569 O\n0.796775 0.954209 0.164196 O\n0.324615 0.750001 0.126431 O\n0.348583 0.250000 0.063766 O\n0.807178 0.250000 0.392821 O\n0.651417 0.750001 0.936234 O\n",
"nsites": 24,
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"elements": [
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"formula_full": "Li2 Sb2 P4 O16",
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"formula_anonymous": "ABC2D8",
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{
"id": "jvasp-52194",
"created_at": "2022-09-04T14:38:35.473444Z",
"updated_at": "2022-09-04T14:38:35.473476Z",
"structure_string": "Li3 Ti4 O8\n1.0\n5.901984 0.001968 0.000288\n2.949337 5.112168 0.000370\n2.950263 1.704386 4.876418\nLi Ti O\n3 4 8\ndirect\n-0.000000 0.000000 0.500000 Li\n0.499999 0.500001 0.500000 Li\n-0.000000 0.500001 0.500000 Li\n0.500000 0.500000 0.000000 Ti\n0.499999 0.000000 0.500000 Ti\n0.499999 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.262088 0.223611 0.752205 O\n0.254722 0.754734 0.235824 O\n0.737893 0.237906 0.247814 O\n0.723608 0.762089 0.752194 O\n0.276390 0.237912 0.247807 O\n0.262105 0.762095 0.752187 O\n0.745276 0.245267 0.764177 O\n0.737911 0.776390 0.247796 O\n",
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],
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"volume": 147.09604087949685,
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"formula_full": "Li3 Ti4 O8",
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{
"id": "jvasp-86213",
"created_at": "2022-09-04T14:36:09.017945Z",
"updated_at": "2022-09-04T14:36:09.017971Z",
"structure_string": "Li8 Zn4 Ge4\n1.0\n4.301343 0.000000 0.000000\n-2.150671 3.725073 -0.000000\n0.000000 -0.000000 16.395416\nLi Zn Ge\n8 4 4\ndirect\n0.333333 0.666667 0.209121 Li\n0.333333 0.666667 0.040804 Li\n0.666667 0.333333 0.790879 Li\n0.666667 0.333333 0.459154 Li\n0.666667 0.333333 0.290834 Li\n0.333333 0.666667 0.709166 Li\n0.666667 0.333333 0.959197 Li\n0.333333 0.666667 0.540846 Li\n0.000000 0.000000 0.124827 Zn\n0.000000 0.000000 0.624991 Zn\n0.000000 0.000000 0.375010 Zn\n0.000000 0.000000 0.875173 Zn\n0.666667 0.333333 0.625026 Ge\n0.666667 0.333333 0.125003 Ge\n0.333333 0.666667 0.874997 Ge\n0.333333 0.666667 0.374974 Ge\n",
"nsites": 16,
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"density_atomic": 0.06090580370971799,
"volume": 262.7007448462104,
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"formula_full": "Li8 Zn4 Ge4",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-86815",
"created_at": "2022-09-04T14:36:08.053688Z",
"updated_at": "2022-09-04T14:36:08.053718Z",
"structure_string": "Li8 Zn4 Ge4\n1.0\n4.301202 0.000000 0.000000\n-2.150601 3.724951 0.000000\n-0.000000 -0.000000 16.393713\nLi Zn Ge\n8 4 4\ndirect\n0.333333 0.666667 0.209146 Li\n0.333333 0.666667 0.040825 Li\n0.666667 0.333333 0.790854 Li\n0.666667 0.333333 0.459147 Li\n0.666667 0.333333 0.290856 Li\n0.333333 0.666667 0.709144 Li\n0.666667 0.333333 0.959174 Li\n0.333333 0.666667 0.540852 Li\n0.000000 0.000000 0.124838 Zn\n0.000000 0.000000 0.625004 Zn\n0.000000 0.000000 0.374996 Zn\n0.000000 0.000000 0.875162 Zn\n0.666667 0.333333 0.625003 Ge\n0.666667 0.333333 0.125018 Ge\n0.333333 0.666667 0.874982 Ge\n0.333333 0.666667 0.374997 Ge\n",
"nsites": 16,
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{
"id": "jvasp-45761",
"created_at": "2022-09-04T14:37:59.723807Z",
"updated_at": "2022-09-04T14:37:59.723825Z",
"structure_string": "Na4 Lu2 P2 C2 O14\n1.0\n0.000000 5.120378 0.020282\n6.863245 0.000000 0.000000\n0.000000 -0.132196 -9.246463\nNa Lu P C O\n4 2 2 2 14\ndirect\n0.236865 0.007745 0.213643 Na\n0.236865 0.492255 0.213643 Na\n0.763135 0.507746 0.786357 Na\n0.763135 0.992255 0.786357 Na\n0.782652 0.750001 0.367734 Lu\n0.217347 0.250000 0.632266 Lu\n0.698830 0.250000 0.417881 P\n0.301170 0.750001 0.582118 P\n0.727458 0.750001 0.079021 C\n0.272542 0.250000 0.920979 C\n0.467641 0.250000 0.828995 O\n0.196950 0.934764 0.655685 O\n0.196950 0.565237 0.655685 O\n0.788199 0.250000 0.581011 O\n0.606207 0.750001 0.585088 O\n0.393793 0.250000 0.414912 O\n0.959024 0.750001 0.141930 O\n0.803050 0.434764 0.344315 O\n0.803050 0.065236 0.344315 O\n0.532359 0.750001 0.171005 O\n0.040976 0.250000 0.858070 O\n0.308968 0.250000 0.055845 O\n0.211801 0.750001 0.418988 O\n0.691032 0.750001 0.944155 O\n",
"nsites": 24,
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"elements": [
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],
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"volume": 324.92458010904966,
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"formula_full": "Na4 Lu2 P2 C2 O14",
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{
"id": "jvasp-85931",
"created_at": "2022-09-04T14:36:10.777224Z",
"updated_at": "2022-09-04T14:36:10.777249Z",
"structure_string": "Nb1 Fe1 F6\n1.0\n4.704279 0.077541 3.144273\n1.720506 4.379054 3.144273\n0.111786 0.077541 5.657226\nNb Fe F\n1 1 6\ndirect\n0.500001 0.499999 0.499999 Nb\n0.000000 0.000000 0.000000 Fe\n0.373317 0.130317 0.748747 F\n0.748748 0.373316 0.130316 F\n0.130318 0.748746 0.373316 F\n0.626685 0.869682 0.251252 F\n0.251255 0.626683 0.869683 F\n0.869684 0.251252 0.626683 F\n",
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{
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"created_at": "2022-09-04T14:36:18.152376Z",
"updated_at": "2022-09-04T14:36:18.152406Z",
"structure_string": "Ti8 O16\n1.0\n3.023061 -0.000962 -0.004386\n0.003765 9.744306 0.000079\n0.013361 0.000224 9.373368\nTi O\n8 16\ndirect\n0.250133 -0.025219 0.152136 Ti\n0.750101 0.201217 0.401296 Ti\n0.250131 0.298111 0.901292 Ti\n0.750122 0.524548 0.652136 Ti\n0.250137 0.474782 0.345488 Ti\n0.750109 0.701220 0.096325 Ti\n0.250145 0.798112 0.596326 Ti\n0.750126 0.024551 0.845481 Ti\n0.250150 0.801381 0.220932 O\n0.750116 0.859648 0.503906 O\n0.250136 0.639693 0.003900 O\n0.750113 0.697947 0.720929 O\n0.750120 0.559425 0.251721 O\n0.250122 0.603953 0.521605 O\n0.750135 0.395378 0.476018 O\n0.250134 0.139679 0.493715 O\n0.250150 0.301385 0.276695 O\n0.750111 0.359637 -0.006279 O\n0.250137 0.939908 0.751720 O\n0.750115 0.197953 0.776685 O\n0.750120 0.059425 0.245898 O\n0.250119 0.103949 0.976007 O\n0.250136 0.439908 0.745901 O\n0.750137 0.895383 0.021612 O\n",
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{
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"created_at": "2022-09-04T14:37:48.321718Z",
"updated_at": "2022-09-04T14:37:48.321738Z",
"structure_string": "Li2 Nd1 Al1\n1.0\n0.000000 3.419822 3.419822\n3.419822 -0.000000 3.419822\n3.419822 3.419822 0.000000\nLi Nd Al\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.749999 0.749999 0.749999 Nd\n0.250000 0.250000 0.250000 Al\n",
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],
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{
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"created_at": "2022-09-04T14:36:53.053473Z",
"updated_at": "2022-09-04T14:36:53.053490Z",
"structure_string": "Sr1 Ca3 Br2 N2\n1.0\n3.753548 0.000000 0.000000\n-0.000000 6.214011 1.921543\n-0.000000 0.011609 7.333546\nSr Ca Br N\n1 3 2 2\ndirect\n0.500000 0.270969 0.688360 Sr\n0.000000 0.775716 0.666245 Ca\n0.500000 0.725781 0.321076 Ca\n0.000000 0.226593 0.321273 Ca\n0.000000 0.990341 0.012396 Br\n0.500000 0.506135 0.003921 Br\n0.000000 0.508249 0.492159 N\n0.500000 0.996217 0.494570 N\n",
"nsites": 8,
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"formula_anonymous": "AB2C2D3",
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{
"id": "jvasp-115834",
"created_at": "2022-09-04T14:38:40.040042Z",
"updated_at": "2022-09-04T14:38:40.040060Z",
"structure_string": "Rb1 Ag1 S2\n1.0\n3.649442 -0.000000 0.000000\n-0.000000 4.589481 0.000000\n0.000000 0.000000 6.642033\nRb Ag S\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Rb\n0.499999 0.000000 0.000000 Ag\n0.000000 0.000000 0.235573 S\n0.000000 0.000000 0.764427 S\n",
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]
}