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{
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"results": [
{
"id": "jvasp-88067",
"created_at": "2022-09-04T14:35:49.564368Z",
"updated_at": "2022-09-04T14:35:49.564404Z",
"structure_string": "Ti4 S4 O20\n1.0\n5.276293 -0.000000 0.000000\n-0.000000 6.609215 0.000000\n0.000000 0.000000 11.168039\nTi S O\n4 4 20\ndirect\n0.250000 0.841737 0.056716 Ti\n0.750000 0.341737 0.443284 Ti\n0.250000 0.658262 0.556716 Ti\n0.750000 0.158262 0.943284 Ti\n0.250000 0.476804 0.844367 S\n0.750000 0.523194 0.155633 S\n0.750000 0.976805 0.655633 S\n0.250000 0.023196 0.344367 S\n0.750000 0.480279 0.285520 O\n0.750000 0.173896 0.592572 O\n0.519296 0.864568 0.626126 O\n0.500000 0.000000 0.000000 O\n0.980703 0.864568 0.626126 O\n0.480704 0.364569 0.873874 O\n0.000000 0.000000 0.000000 O\n0.019296 0.135431 0.373874 O\n0.750000 0.019720 0.785520 O\n0.480704 0.135431 0.373874 O\n0.750000 0.326104 0.092572 O\n0.980703 0.635431 0.126126 O\n0.000000 0.500000 0.500000 O\n0.019296 0.364569 0.873874 O\n0.250000 0.826104 0.407428 O\n0.250000 0.980279 0.214480 O\n0.500000 0.500000 0.500000 O\n0.250000 0.673895 0.907428 O\n0.519296 0.635431 0.126126 O\n0.250000 0.519720 0.714480 O\n",
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{
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"structure_string": "Si1 H1 O2\n1.0\n3.281430 0.000000 0.000000\n0.000000 3.281430 0.000000\n0.000000 -0.000000 3.454129\nSi H O\n1 1 2\ndirect\n0.500001 0.500001 0.537033 Si\n0.000000 0.000000 0.857542 H\n0.000000 0.000000 0.571809 O\n0.500001 0.500001 0.043617 O\n",
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{
"id": "jvasp-10541",
"created_at": "2022-09-04T14:37:07.053768Z",
"updated_at": "2022-09-04T14:37:07.053803Z",
"structure_string": "K4 Ni2 P4\n1.0\n5.597248 -0.000000 -0.000000\n0.000000 5.756614 -2.712121\n-0.000000 0.019025 7.505793\nK Ni P\n4 2 4\ndirect\n0.750000 0.412897 0.825795 K\n0.750000 0.787970 0.575941 K\n0.250000 0.587102 0.174205 K\n0.250000 0.212029 0.424058 K\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.750000 0.275844 0.205536 P\n0.250000 0.070307 0.794463 P\n0.250000 0.724155 0.794463 P\n0.750000 0.929691 0.205536 P\n",
"nsites": 10,
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],
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"density": 2.7272244429300385,
"density_atomic": 0.04129937135284628,
"volume": 242.13443624997979,
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"formula_full": "K4 Ni2 P4",
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"spacegroup": 63
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{
"id": "jvasp-65093",
"created_at": "2022-09-04T14:36:19.809743Z",
"updated_at": "2022-09-04T14:36:19.809767Z",
"structure_string": "Na4 Be1 Pd1\n1.0\n0.000000 3.981964 3.981964\n3.981964 0.000000 3.981964\n3.981964 3.981964 0.000000\nNa Be Pd\n4 1 1\ndirect\n0.126710 0.624430 0.624430 Na\n0.624430 0.624430 0.624430 Na\n0.624430 0.126710 0.624430 Na\n0.624430 0.624430 0.126710 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
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{
"id": "jvasp-24285",
"created_at": "2022-09-04T14:38:16.942440Z",
"updated_at": "2022-09-04T14:38:16.942457Z",
"structure_string": "Na8 Al6 Ge6 Cl2 O24\n1.0\n9.097475 -0.000000 0.000000\n0.000000 9.097475 0.000000\n0.000000 -0.000000 9.097475\nNa Al Ge Cl O\n8 6 6 2 24\ndirect\n0.171253 0.828746 0.828746 Na\n0.328747 0.671253 0.328747 Na\n0.671253 0.328747 0.328747 Na\n0.828746 0.171253 0.828746 Na\n0.328747 0.328747 0.671253 Na\n0.671253 0.671253 0.671253 Na\n0.171253 0.171253 0.171253 Na\n0.828746 0.828746 0.171253 Na\n0.250000 0.000000 0.500000 Al\n0.500000 0.250000 0.000000 Al\n0.750000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.750000 0.000000 Al\n0.000000 0.250000 0.500000 Ge\n0.000000 0.750000 0.500000 Ge\n0.250000 0.500000 0.000000 Ge\n0.750000 0.500000 0.000000 Ge\n0.500000 0.000000 0.250000 Ge\n0.500000 0.000000 0.750000 Ge\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.857354 0.422817 0.857275 O\n0.142724 0.142645 0.422817 O\n0.142645 0.577182 0.857275 O\n0.922817 0.642645 0.642724 O\n0.077183 0.357355 0.642724 O\n0.357276 0.077183 0.642645 O\n0.142645 0.422817 0.142724 O\n0.857275 0.142645 0.577182 O\n0.422817 0.142724 0.142645 O\n0.922817 0.357355 0.357276 O\n0.857354 0.577182 0.142724 O\n0.642724 0.922817 0.642645 O\n0.357276 0.922817 0.357355 O\n0.642645 0.642724 0.922817 O\n0.422817 0.857275 0.857354 O\n0.857275 0.857354 0.422817 O\n0.642724 0.077183 0.357355 O\n0.642645 0.357276 0.077183 O\n0.577182 0.857275 0.142645 O\n0.142724 0.857354 0.577182 O\n0.577182 0.142724 0.857354 O\n0.077183 0.642645 0.357276 O\n0.357355 0.642724 0.077183 O\n0.357355 0.357276 0.922817 O\n",
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"Ge",
"Cl",
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"density": 2.7270575208847525,
"density_atomic": 0.06109352996351931,
"volume": 752.9438882884639,
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"formula_full": "Na8 Al6 Ge6 Cl2 O24",
"formula_reduced": "Na4Al3Ge3ClO12",
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"spacegroup": 218
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{
"id": "jvasp-8194",
"created_at": "2022-09-04T14:37:50.392661Z",
"updated_at": "2022-09-04T14:37:50.392683Z",
"structure_string": "Ca2 P6\n1.0\n5.604255 -0.010142 0.001294\n1.478251 5.427305 -0.006113\n1.022475 1.720260 5.320786\nCa P\n2 6\ndirect\n0.676897 0.642805 0.645037 Ca\n0.323102 0.357196 0.354964 Ca\n0.597565 0.797266 0.100485 P\n0.402434 0.202735 0.899516 P\n0.002887 0.202197 0.997434 P\n0.997112 0.797804 0.002567 P\n0.129485 0.821178 0.603549 P\n0.870514 0.178824 0.396452 P\n",
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"volume": 161.9719120277629,
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},
{
"id": "jvasp-48258",
"created_at": "2022-09-04T14:35:41.010708Z",
"updated_at": "2022-09-04T14:35:41.010724Z",
"structure_string": "Li6 Mn1 O6\n1.0\n5.384483 0.056278 0.035721\n2.412460 4.814746 0.038352\n2.416231 1.506804 4.571111\nLi Mn O\n6 1 6\ndirect\n0.078317 0.716934 0.495368 Li\n0.504535 0.921762 0.283078 Li\n0.282998 0.504503 0.921664 Li\n0.717001 0.495498 0.078335 Li\n0.495464 0.078238 0.716921 Li\n0.921683 0.283067 0.504631 Li\n0.000000 0.000000 0.000000 Mn\n0.202021 0.904790 0.650934 O\n0.349107 0.798047 0.095151 O\n0.095111 0.349095 0.797985 O\n0.904889 0.650906 0.202014 O\n0.650892 0.201953 0.904848 O\n0.797979 0.095211 0.349065 O\n",
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"volume": 117.29340470578393,
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"formula_full": "Li6 Mn1 O6",
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{
"id": "jvasp-120314",
"created_at": "2022-09-04T14:38:51.621541Z",
"updated_at": "2022-09-04T14:38:51.621556Z",
"structure_string": "Mg1 Br2\n1.0\n3.662634 0.000000 0.000000\n0.000000 4.279996 0.000000\n0.000000 0.000000 7.154105\nMg Br\n1 2\ndirect\n0.466649 0.000000 0.000000 Mg\n-0.033324 0.000000 0.752112 Br\n-0.033324 0.000000 0.247889 Br\n",
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{
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"created_at": "2022-09-04T14:35:59.533151Z",
"updated_at": "2022-09-04T14:35:59.533177Z",
"structure_string": "Mg6 V1 Cr1\n1.0\n6.260565 -0.193622 0.000000\n-3.297964 5.324996 0.000000\n0.000000 0.000000 4.634460\nMg V Cr\n6 1 1\ndirect\n0.182709 0.840762 0.250000 Mg\n0.659238 0.317292 0.250000 Mg\n0.670875 0.829127 0.250000 Mg\n0.319007 0.658510 0.750000 Mg\n0.841490 0.180994 0.750000 Mg\n0.828081 0.671920 0.750000 Mg\n0.199536 0.300464 0.250000 V\n0.299067 0.200933 0.750000 Cr\n",
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{
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"created_at": "2022-09-04T14:38:48.088036Z",
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"structure_string": "Ge1 H2\n1.0\n6.728344 0.000000 0.000000\n0.000000 2.589188 0.000000\n0.000000 0.000000 2.610688\nGe H\n1 2\ndirect\n0.467169 0.000000 0.000000 Ge\n-0.033585 0.000000 0.857483 H\n-0.033585 0.000000 0.142517 H\n",
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{
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"structure_string": "Mg6 V1 Fe1\n1.0\n6.222214 -0.137456 0.000000\n-3.230147 5.319866 0.000000\n0.000000 0.000000 4.712712\nMg V Fe\n6 1 1\ndirect\n0.176901 0.842017 0.250000 Mg\n0.657982 0.323099 0.250000 Mg\n0.670924 0.829075 0.250000 Mg\n0.320207 0.661693 0.750000 Mg\n0.838306 0.179792 0.750000 Mg\n0.831740 0.668259 0.750000 Mg\n0.307388 0.192612 0.750000 V\n0.196548 0.303452 0.250000 Fe\n",
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{
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"created_at": "2022-09-04T14:36:11.066769Z",
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"structure_string": "Rb1 Mg6 Mo1\n1.0\n6.704745 -1.796482 0.000000\n-4.908172 8.501202 0.000000\n0.000000 0.000000 4.137920\nRb Mg Mo\n1 6 1\ndirect\n0.250091 0.375045 0.250000 Rb\n0.749924 0.374893 0.250000 Mg\n0.749924 0.875032 0.250000 Mg\n0.249955 0.079805 0.750000 Mg\n0.249955 0.670150 0.750000 Mg\n0.659640 0.079821 0.750000 Mg\n0.840426 0.670214 0.750000 Mg\n0.250083 0.875040 0.250000 Mo\n",
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"formula_full": "Rb1 Mg6 Mo1",
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}
]
}