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{
"id": "jvasp-92910",
"created_at": "2022-09-04T14:36:10.945624Z",
"updated_at": "2022-09-04T14:36:10.945645Z",
"structure_string": "Mg6 Mo1 C1\n1.0\n7.179166 1.578486 0.000000\n-2.222574 7.006582 0.000000\n0.000000 0.000000 3.200074\nMg Mo C\n6 1 1\ndirect\n0.233843 0.913207 0.250000 Mg\n0.586793 0.266158 0.250000 Mg\n0.656767 0.843233 0.250000 Mg\n0.385985 0.581976 0.749999 Mg\n0.918025 0.114016 0.749999 Mg\n0.904891 0.595111 0.749999 Mg\n0.207560 0.292440 0.250000 Mo\n0.106142 0.393858 0.749999 C\n",
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{
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"structure_string": "Cd1 H10 C7 O4\n1.0\n3.689188 -0.456763 0.648971\n-0.409665 4.278471 0.169833\n1.104005 -0.057279 11.968882\nCd H C O\n1 10 7 4\ndirect\n0.359469 0.015358 0.796530 Cd\n0.943801 0.717012 0.430782 H\n-0.034898 0.734455 0.209723 H\n0.459244 0.789815 0.177511 H\n0.375099 0.259069 0.289110 H\n0.884479 0.213956 0.323248 H\n0.933057 0.223659 0.110378 H\n0.421365 0.272058 0.079572 H\n0.813233 0.174474 0.535819 H\n0.289739 0.176958 0.498138 H\n0.433598 0.742913 0.399585 H\n0.138115 0.464889 0.630432 C\n0.091635 0.337847 0.517908 C\n0.159788 0.573629 0.413743 C\n0.151476 0.395774 0.305581 C\n0.194885 0.605989 0.196440 C\n0.197814 0.406042 0.093012 C\n0.241693 0.593167 0.980568 C\n0.078844 0.825315 0.982724 O\n-0.019371 0.269248 0.722670 O\n0.340781 0.736415 0.631567 O\n0.444680 0.525172 0.884842 O\n",
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{
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"created_at": "2022-09-04T14:36:12.310896Z",
"updated_at": "2022-09-04T14:36:12.310921Z",
"structure_string": "K2 Ti1 Cl6\n1.0\n5.954463 -0.000000 3.437811\n1.984821 5.613921 3.437811\n0.000000 0.000000 6.875621\nK Ti Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Ti\n0.241988 0.758012 0.758012 Cl\n0.241988 0.758012 0.241988 Cl\n0.758011 0.241988 0.758012 Cl\n0.758011 0.241988 0.241988 Cl\n0.758011 0.758012 0.241988 Cl\n0.241988 0.241988 0.758012 Cl\n",
"nsites": 9,
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"density": 2.4476430607488484,
"density_atomic": 0.039158106409688656,
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"formula_full": "K2 Ti1 Cl6",
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{
"id": "jvasp-51745",
"created_at": "2022-09-04T14:37:33.026650Z",
"updated_at": "2022-09-04T14:37:33.026666Z",
"structure_string": "Na3 V1 H6 O7\n1.0\n4.236970 2.446216 2.595575\n-4.236970 2.446216 2.595575\n-0.000000 -4.892430 2.595575\nNa V H O\n3 1 6 7\ndirect\n0.624145 0.429621 0.179598 Na\n0.429621 0.179598 0.624144 Na\n0.179599 0.624145 0.429620 Na\n0.997650 0.997650 0.997649 V\n0.608830 0.922759 0.254285 H\n0.922759 0.254286 0.608829 H\n0.254286 0.608830 0.922758 H\n0.511546 0.752743 0.880663 H\n0.880664 0.511546 0.752741 H\n0.752743 0.880665 0.511545 H\n0.396452 0.582710 0.837405 O\n0.218109 0.218109 0.218108 O\n0.998384 0.693698 0.046306 O\n0.693697 0.046307 0.998383 O\n0.046307 0.998384 0.693697 O\n0.837406 0.396452 0.582709 O\n0.582710 0.837406 0.396451 O\n",
"nsites": 17,
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"elements": [
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"formula_full": "Na3 V1 H6 O7",
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{
"id": "jvasp-90546",
"created_at": "2022-09-04T14:36:20.357431Z",
"updated_at": "2022-09-04T14:36:20.357456Z",
"structure_string": "Na1 Mg6 Nb1\n1.0\n6.065311 -1.624879 0.000000\n-4.439842 7.690032 0.000000\n0.000000 0.000000 4.502626\nNa Mg Nb\n1 6 1\ndirect\n0.250198 0.375099 0.250000 Na\n0.750017 0.374936 0.250000 Mg\n0.750017 0.875079 0.250000 Mg\n0.249950 0.108052 0.750001 Mg\n0.249950 0.641899 0.750001 Mg\n0.715934 0.107968 0.750001 Mg\n0.784024 0.642012 0.750001 Mg\n0.249910 0.874955 0.250000 Nb\n",
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"formula_full": "Na1 Mg6 Nb1",
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{
"id": "jvasp-93078",
"created_at": "2022-09-04T14:36:20.795319Z",
"updated_at": "2022-09-04T14:36:20.795332Z",
"structure_string": "Na1 Mg6 Nb1\n1.0\n6.064886 -1.625038 0.000000\n-4.439766 7.689901 0.000000\n0.000000 0.000000 4.502834\nNa Mg Nb\n1 6 1\ndirect\n0.250047 0.375023 0.250000 Na\n0.749977 0.374963 0.250000 Mg\n0.749977 0.875013 0.250000 Mg\n0.249983 0.108054 0.749999 Mg\n0.249983 0.641930 0.749999 Mg\n0.715994 0.107998 0.749999 Mg\n0.784027 0.642014 0.749999 Mg\n0.250013 0.875006 0.250000 Nb\n",
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{
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"created_at": "2022-09-04T14:37:05.402543Z",
"updated_at": "2022-09-04T14:37:05.402568Z",
"structure_string": "Cr1 F6\n1.0\n4.659804 -0.005652 2.961432\n1.623973 4.367668 2.961432\n-0.008141 -0.005652 5.521213\nCr F\n1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.312937 0.122080 0.784260 F\n0.122079 0.784261 0.312937 F\n0.215739 0.687063 0.877920 F\n0.877919 0.215740 0.687062 F\n0.687061 0.877921 0.215739 F\n0.784259 0.312938 0.122079 F\n",
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{
"id": "jvasp-64418",
"created_at": "2022-09-04T14:36:18.065598Z",
"updated_at": "2022-09-04T14:36:18.065624Z",
"structure_string": "K1 Ba1 Ti1\n1.0\n0.000000 4.236934 4.236934\n4.236934 -0.000000 4.236934\n4.236934 4.236934 -0.000000\nK Ba Ti\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Ti\n",
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{
"id": "jvasp-117920",
"created_at": "2022-09-04T14:38:29.675663Z",
"updated_at": "2022-09-04T14:38:29.675688Z",
"structure_string": "Si1 C1 N1\n1.0\n3.170849 -0.462272 0.000000\n-0.757738 4.038649 0.000000\n0.000000 0.000000 2.945883\nSi C N\n1 1 1\ndirect\n-0.052396 0.457960 0.000000 Si\n-0.437939 -0.282917 0.000000 C\n0.640200 0.042880 0.000000 N\n",
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{
"id": "jvasp-112113",
"created_at": "2022-09-04T14:38:41.636366Z",
"updated_at": "2022-09-04T14:38:41.636384Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.754920 0.138088 0.640458\n1.093805 4.366426 0.621918\n0.192280 0.259845 11.352759\nCd H C O\n1 10 7 4\ndirect\n0.945220 0.891851 0.202061 Cd\n0.422936 0.742709 0.548698 H\n0.534753 0.666236 0.778804 H\n0.077603 0.641098 0.822427 H\n0.217079 0.183845 0.707667 H\n0.671786 0.212531 0.657041 H\n0.782478 0.180184 0.902557 H\n0.386310 0.058057 0.910617 H\n0.098310 0.232389 0.508610 H\n0.929254 0.616630 0.440064 H\n-0.027617 0.741164 0.618057 H\n0.478331 0.392179 0.370194 C\n0.168385 0.450993 0.475600 C\n0.240920 0.589640 0.581533 C\n0.386435 0.350033 0.685190 C\n0.364709 0.501246 0.798380 C\n0.479031 0.267559 0.907143 C\n0.324738 0.387758 0.028941 C\n0.136589 0.669113 0.030869 O\n0.490092 0.614967 0.284391 O\n0.710007 0.126541 0.370025 O\n0.380391 0.196026 0.124983 O\n",
"nsites": 22,
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{
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"created_at": "2022-09-04T14:36:58.713874Z",
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"structure_string": "K3 Dy1 Cl6\n1.0\n6.744321 -0.000000 3.893835\n2.248107 6.358607 3.893835\n-0.000000 -0.000000 7.787671\nK Dy Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Dy\n0.762810 0.237190 0.237190 Cl\n0.237190 0.237190 0.762811 Cl\n0.237190 0.762811 0.762811 Cl\n0.237190 0.762811 0.237190 Cl\n0.762810 0.237190 0.762811 Cl\n0.762811 0.762811 0.237190 Cl\n",
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{
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"created_at": "2022-09-04T14:38:04.456736Z",
"updated_at": "2022-09-04T14:38:04.456752Z",
"structure_string": "Al2 H6 O6\n1.0\n5.067890 -0.034187 -1.057695\n-2.661492 4.303333 0.680767\n-0.948624 0.126294 5.072438\nAl H O\n2 6 6\ndirect\n0.284753 0.625995 0.002365 Al\n0.607413 0.306731 0.000360 Al\n0.516045 -0.004705 0.608929 H\n0.157339 0.345581 0.588082 H\n0.909922 0.831662 0.772611 H\n0.184460 0.893410 0.240433 H\n0.730732 0.579079 0.425666 H\n0.955641 0.097427 0.221883 H\n0.503808 -0.012985 0.796586 O\n0.230955 0.335089 0.797392 O\n0.876674 0.620517 0.785048 O\n0.392084 0.942773 0.230827 O\n0.672879 0.604991 0.216713 O\n0.013811 0.314639 0.226787 O\n",
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}
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}