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{
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"updated_at": "2022-09-04T15:40:41.855408Z",
"structure_string": "K4 Sb2\n1.0\n0.000000 7.736260 7.736260\n7.736260 0.000000 7.736260\n7.736260 7.736260 0.000000\nK Sb\n4 2\ndirect\n0.625000 0.625000 0.124999 K\n0.625000 0.124999 0.625000 K\n0.124999 0.625000 0.625000 K\n0.625000 0.625000 0.625000 K\n0.500000 0.500000 0.500000 Sb\n0.750000 0.750000 0.750000 Sb\n",
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{
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"structure_string": "Ca4 Sm2\n1.0\n5.734618 3.310884 9.364593\n-5.734618 3.310884 9.364593\n0.000000 -6.621767 9.364593\nCa Sm\n4 2\ndirect\n0.375000 0.375000 0.375000 Ca\n0.874999 0.375000 0.375000 Ca\n0.375000 0.874999 0.375000 Ca\n0.375000 0.375000 0.874999 Ca\n0.250000 0.250000 0.250000 Sm\n0.500000 0.500000 0.500000 Sm\n",
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{
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"structure_string": "Mg4 B8 H30\n1.0\n6.816215 0.322224 0.730066\n0.341086 7.868377 0.017903\n0.812636 0.020685 9.327356\nB H Mg\n8 30 4\ndirect\n0.963524 0.314721 0.108915 B\n0.039370 0.796983 0.120317 B\n0.408468 0.388683 0.260859 B\n0.960199 0.580556 0.493143 B\n0.381902 0.731164 0.608681 B\n0.359554 0.214314 0.638012 B\n0.676208 0.031852 0.881128 B\n0.192756 0.876150 0.968586 B\n0.645609 0.000161 0.012691 H\n0.138776 0.344809 0.078297 H\n0.977899 0.666382 0.081251 H\n0.846904 0.425458 0.175641 H\n0.386662 0.512609 0.181763 H\n0.884637 0.879425 0.184861 H\n0.954546 0.188538 0.187638 H\n0.492964 0.266288 0.191411 H\n0.140582 0.777001 0.215294 H\n0.246928 0.342596 0.326497 H\n0.510651 0.432098 0.347057 H\n0.879082 0.508085 0.406983 H\n0.110871 0.645873 0.428925 H\n0.449515 0.686074 0.482640 H\n0.254280 0.222429 0.546106 H\n0.851576 0.696993 0.554442 H\n0.000426 0.470665 0.580258 H\n0.498879 0.107049 0.594558 H\n0.276308 0.863970 0.604276 H\n0.435728 0.344659 0.659850 H\n0.528578 0.741393 0.664280 H\n0.278522 0.631810 0.684229 H\n0.250002 0.183730 0.753592 H\n0.680642 0.895078 0.818026 H\n0.834121 0.090876 0.830573 H\n0.111602 0.891823 0.860393 H\n0.544974 0.140878 0.865490 H\n0.341164 0.776601 0.935126 H\n0.246385 0.018605 0.990804 H\n0.909809 0.301354 0.992178 H\n0.914824 0.048546 0.024842 Mg\n0.085382 0.533448 0.229892 Mg\n0.295177 0.473256 0.517816 Mg\n0.407982 0.957017 0.769657 Mg\n",
"nsites": 42,
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"elements": [
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],
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"density": 0.7183419640071218,
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"volume": 494.563927838545,
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"formula_full": "Mg4 B8 H30",
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"spacegroup": 1
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{
"id": "oqmd-1238974",
"created_at": "2022-09-04T15:40:48.488105Z",
"updated_at": "2022-09-04T15:40:48.488126Z",
"structure_string": "Rb4 Tb2\n1.0\n6.456560 3.727696 10.543518\n-6.456560 3.727696 10.543518\n0.000000 -7.455393 10.543518\nRb Tb\n4 2\ndirect\n0.625000 0.625000 0.125001 Rb\n0.625000 0.125001 0.625000 Rb\n0.125001 0.625000 0.625000 Rb\n0.625000 0.625000 0.625000 Rb\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Tb\n",
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"elements": [
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{
"id": "oqmd-1239305",
"created_at": "2022-09-04T15:40:49.240933Z",
"updated_at": "2022-09-04T15:40:49.240972Z",
"structure_string": "K4 Se2\n1.0\n5.042050 2.911029 8.233633\n-5.042050 2.911029 8.233633\n0.000000 -5.822058 8.233633\nK Se\n4 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.125000 0.125000 0.125000 Se\n0.875000 0.875000 0.875000 Se\n",
"nsites": 6,
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"elements": [
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"Se"
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"volume": 725.0975464525075,
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{
"id": "oqmd-1236498",
"created_at": "2022-09-04T15:40:26.740302Z",
"updated_at": "2022-09-04T15:40:26.740332Z",
"structure_string": "Al4 Br2\n1.0\n0.000000 6.753307 6.753307\n6.753307 0.000000 6.753307\n6.753307 6.753307 0.000000\nAl Br\n4 2\ndirect\n0.125000 0.125000 0.125000 Al\n0.625001 0.125000 0.125000 Al\n0.125000 0.625001 0.125000 Al\n0.125000 0.125000 0.625001 Al\n0.000000 0.000000 0.000000 Br\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
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"elements": [
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"Br"
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"formula_full": "Al4 Br2",
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{
"id": "oqmd-1223094",
"created_at": "2022-09-04T15:39:19.148573Z",
"updated_at": "2022-09-04T15:39:19.148596Z",
"structure_string": "K1 Mg1\n1.0\n0.000000 4.174475 4.174475\n4.174475 0.000000 4.174475\n4.174475 4.174475 0.000000\nK Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Mg\n",
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"volume": 145.49081918536686,
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"formula_full": "K1 Mg1",
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"spacegroup": 216
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{
"id": "oqmd-1239265",
"created_at": "2022-09-04T15:40:48.175700Z",
"updated_at": "2022-09-04T15:40:48.175728Z",
"structure_string": "Li4 Ga2\n1.0\n4.077512 2.354153 6.658550\n-4.077512 2.354153 6.658550\n0.000000 -4.708306 6.658550\nGa Li\n2 4\ndirect\n0.500001 0.500001 0.500001 Ga\n0.750001 0.750001 0.750001 Ga\n0.625001 0.625001 0.124998 Li\n0.625001 0.124998 0.625001 Li\n0.124998 0.625001 0.625001 Li\n0.625001 0.625001 0.625001 Li\n",
"nsites": 6,
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"elements": [
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{
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"created_at": "2022-09-04T15:40:49.247404Z",
"updated_at": "2022-09-04T15:40:49.247432Z",
"structure_string": "K4 Tc2\n1.0\n5.221948 3.014893 8.527406\n-5.221948 3.014893 8.527406\n0.000000 -6.029787 8.527406\nK Tc\n4 2\ndirect\n0.625000 0.625000 0.125001 K\n0.625000 0.125001 0.625000 K\n0.125001 0.625000 0.625000 K\n0.625000 0.625000 0.625000 K\n0.500000 0.500000 0.500000 Tc\n0.750000 0.750000 0.750000 Tc\n",
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{
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"created_at": "2022-09-04T15:40:48.869609Z",
"updated_at": "2022-09-04T15:40:48.869630Z",
"structure_string": "Na2 Cl4\n1.0\n4.233152 2.444011 6.912708\n-4.233152 2.444011 6.912708\n0.000000 -4.888023 6.912708\nCl Na\n4 2\ndirect\n0.375000 0.375000 0.375000 Cl\n0.875000 0.375000 0.375000 Cl\n0.375000 0.875000 0.375000 Cl\n0.375000 0.375000 0.875000 Cl\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n",
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{
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"created_at": "2022-09-04T15:40:46.212013Z",
"updated_at": "2022-09-04T15:40:46.212026Z",
"structure_string": "Ca4 V2\n1.0\n4.730323 2.731053 7.724586\n-4.730323 2.731053 7.724586\n0.000000 -5.462107 7.724586\nCa V\n4 2\ndirect\n0.625000 0.625000 0.125001 Ca\n0.625000 0.125001 0.625000 Ca\n0.125001 0.625000 0.625000 Ca\n0.625000 0.625000 0.625000 Ca\n0.500001 0.500001 0.500001 V\n0.750000 0.750000 0.750000 V\n",
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{
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"created_at": "2022-09-04T15:17:24.515564Z",
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"structure_string": "Li4 B4 H16\n1.0\n8.383201 0.000000 0.000000\n0.000000 4.241844 0.000000\n0.000000 0.000000 5.571425\nB H Li\n4 16 4\ndirect\n0.863174 0.250000 0.154479 B\n0.363173 0.250000 0.345520 B\n0.636827 0.749999 0.654481 B\n0.136827 0.749999 0.845520 B\n0.087511 0.749999 0.052771 H\n0.779526 0.016061 0.184118 H\n0.779526 0.483938 0.184118 H\n0.470095 0.250000 0.196680 H\n0.970096 0.250000 0.303319 H\n0.279526 0.016061 0.315881 H\n0.279526 0.483938 0.315881 H\n0.587509 0.749999 0.447228 H\n0.412489 0.250000 0.552771 H\n0.720473 0.516063 0.684118 H\n0.720473 0.983938 0.684118 H\n0.029904 0.749999 0.696680 H\n0.529904 0.749999 0.803319 H\n0.220474 0.516063 0.815883 H\n0.220474 0.983938 0.815883 H\n0.912490 0.250000 0.947228 H\n0.143889 0.250000 0.079807 Li\n0.643889 0.250000 0.420192 Li\n0.356111 0.749999 0.579809 Li\n0.856112 0.749999 0.920192 Li\n",
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}