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{
"id": "jvasp-107795",
"created_at": "2022-09-04T14:36:38.332248Z",
"updated_at": "2022-09-04T14:36:38.332269Z",
"structure_string": "Na3 Tb1 Cl6\n1.0\n6.434189 -0.000000 3.714781\n2.144730 6.066212 3.714781\n-0.000000 -0.000000 7.429562\nTb Na Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.751053 0.248947 0.248946 Cl\n0.248947 0.248947 0.751053 Cl\n0.248947 0.751053 0.751053 Cl\n0.248947 0.751053 0.248947 Cl\n0.751053 0.248947 0.751053 Cl\n0.751054 0.751053 0.248946 Cl\n",
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{
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"structure_string": "K1 Rb2 In1 I6\n1.0\n7.551319 -0.000000 4.359756\n2.517106 7.119452 4.359756\n-0.000000 -0.000000 8.719512\nK Rb In I\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.763715 0.236286 0.236286 I\n0.236286 0.236286 0.763714 I\n0.236286 0.763714 0.763714 I\n0.236286 0.763714 0.236286 I\n0.763715 0.236286 0.763714 I\n0.763715 0.763714 0.236286 I\n",
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{
"id": "jvasp-14948",
"created_at": "2022-09-04T14:36:38.405464Z",
"updated_at": "2022-09-04T14:36:38.405474Z",
"structure_string": "Yb1 Hg1\n1.0\n3.683346 0.000000 0.000000\n0.000000 3.683346 0.000000\n-0.000000 -0.000000 3.683346\nYb Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
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"volume": 49.9720942493655,
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"formula_full": "Yb1 Hg1",
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"spacegroup": 221
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{
"id": "jvasp-65630",
"created_at": "2022-09-04T14:36:16.197886Z",
"updated_at": "2022-09-04T14:36:16.197913Z",
"structure_string": "Ba1 Sr1 Cd2\n1.0\n4.245541 0.000000 -0.000000\n0.000000 4.245541 0.000000\n-0.000000 0.000000 8.319920\nBa Sr Cd\n1 1 2\ndirect\n0.500000 0.500000 0.810914 Ba\n0.000000 0.000000 0.426321 Sr\n0.000000 0.000000 0.029884 Cd\n0.500000 0.500000 0.232883 Cd\n",
"nsites": 4,
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"volume": 149.96338297443532,
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"spacegroup": 99
},
{
"id": "jvasp-101608",
"created_at": "2022-09-04T14:36:38.453067Z",
"updated_at": "2022-09-04T14:36:38.453093Z",
"structure_string": "Sn2 Hg6\n1.0\n6.495440 0.000000 0.000000\n-3.247720 5.625216 0.000000\n-0.000000 0.000000 5.762851\nSn Hg\n2 6\ndirect\n0.333334 0.666667 0.750000 Sn\n0.666667 0.333334 0.250000 Sn\n0.166420 0.332841 0.250000 Hg\n0.667160 0.833581 0.250000 Hg\n0.166420 0.833581 0.250000 Hg\n0.833580 0.667160 0.750000 Hg\n0.332841 0.166420 0.750000 Hg\n0.833580 0.166420 0.750000 Hg\n",
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"density": 11.363597773320429,
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"volume": 210.56450792597627,
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"formula_full": "Sn2 Hg6",
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"spacegroup": 194
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{
"id": "jvasp-88222",
"created_at": "2022-09-04T14:36:16.184413Z",
"updated_at": "2022-09-04T14:36:16.184437Z",
"structure_string": "Rb8 Zn4 Cl16\n1.0\n7.138152 0.000000 0.000000\n0.000000 9.295348 0.000000\n0.000000 0.000000 12.560125\nRb Zn Cl\n8 4 16\ndirect\n0.750000 0.371958 0.588301 Rb\n0.750000 0.521405 0.173124 Rb\n0.750000 0.021405 0.326876 Rb\n0.750000 0.871958 0.911700 Rb\n0.250000 0.628042 0.411700 Rb\n0.250000 0.478595 0.826876 Rb\n0.250000 0.978595 0.673124 Rb\n0.250000 0.128042 0.088301 Rb\n0.750000 0.773246 0.576856 Zn\n0.250000 0.726754 0.076856 Zn\n0.250000 0.226754 0.423145 Zn\n0.750000 0.273246 0.923145 Zn\n0.007226 0.673883 0.654046 Cl\n0.750000 0.686338 0.406193 Cl\n0.992773 0.826117 0.154045 Cl\n0.492773 0.173883 0.845955 Cl\n0.507226 0.326117 0.345955 Cl\n0.750000 0.016685 0.592919 Cl\n0.492773 0.673883 0.654046 Cl\n0.507226 0.826117 0.154045 Cl\n0.007226 0.173883 0.845955 Cl\n0.750000 0.186338 0.093807 Cl\n0.250000 0.813663 0.906193 Cl\n0.250000 0.313662 0.593808 Cl\n0.750000 0.516685 0.907082 Cl\n0.250000 0.983315 0.407081 Cl\n0.250000 0.483315 0.092919 Cl\n0.992773 0.326117 0.345955 Cl\n",
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{
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"created_at": "2022-09-04T14:36:16.181200Z",
"updated_at": "2022-09-04T14:36:16.181221Z",
"structure_string": "Zn1 S1\n1.0\n3.326994 -0.000000 1.920841\n1.108998 3.136720 1.920841\n0.000000 0.000000 3.841682\nZn S\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 S\n",
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{
"id": "jvasp-92236",
"created_at": "2022-09-04T14:36:16.394705Z",
"updated_at": "2022-09-04T14:36:16.394718Z",
"structure_string": "Cu4 I4\n1.0\n3.503002 0.000000 2.477394\n-0.000314 8.580513 14.865305\n-0.000157 0.000000 7.432653\nCu I\n4 4\ndirect\n0.805091 0.000046 0.731586 Cu\n0.805092 0.249954 0.731769 Cu\n0.804374 0.499940 0.731980 Cu\n0.804374 0.750060 0.731738 Cu\n0.054887 -0.000022 0.981765 I\n0.054887 0.250022 0.981675 I\n0.054346 0.500022 0.981798 I\n0.054346 0.749977 0.981889 I\n",
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{
"id": "jvasp-74869",
"created_at": "2022-09-04T14:36:16.265040Z",
"updated_at": "2022-09-04T14:36:16.265057Z",
"structure_string": "Sr1 Be1 Hg2\n1.0\n-2.558543 2.558543 3.615486\n2.558543 -2.558543 3.615486\n2.558543 2.558543 -3.615486\nSr Be Hg\n1 1 2\ndirect\n0.250000 0.750000 0.499999 Sr\n0.750000 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.000000 Hg\n",
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{
"id": "jvasp-99656",
"created_at": "2022-09-04T14:36:09.471464Z",
"updated_at": "2022-09-04T14:36:09.471480Z",
"structure_string": "Mg6 Si1 Ge2\n1.0\n5.818660 0.003610 -5.206316\n-0.583581 4.278855 -6.504874\n0.001130 -0.003610 7.807851\nMg Si Ge\n6 1 2\ndirect\n0.750803 0.500000 0.250802 Mg\n0.415808 0.166224 0.249582 Mg\n0.083358 0.833775 0.249582 Mg\n0.249197 0.499999 0.749197 Mg\n0.916642 0.166224 0.750417 Mg\n0.584192 0.833775 0.750417 Mg\n0.000000 0.000000 0.000000 Si\n0.666676 0.666676 -0.000001 Ge\n0.333324 0.333323 -0.000000 Ge\n",
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{
"id": "jvasp-99694",
"created_at": "2022-09-04T14:36:39.621208Z",
"updated_at": "2022-09-04T14:36:39.621233Z",
"structure_string": "K2 Na1 Ir1 F6\n1.0\n5.165006 0.000000 2.982018\n1.721669 4.869614 2.982018\n0.000000 -0.000000 5.964036\nK Na Ir F\n2 1 1 6\ndirect\n0.750001 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Ir\n0.759546 0.240455 0.240455 F\n0.240455 0.240455 0.759546 F\n0.240456 0.759544 0.759546 F\n0.240456 0.759544 0.240456 F\n0.759546 0.240455 0.759546 F\n0.759546 0.759544 0.240456 F\n",
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{
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"structure_string": "Ba1 Mg6 Cr1\n1.0\n7.648166 0.813731 0.000000\n-3.119370 5.402907 0.000000\n0.000000 0.000000 5.031491\nBa Mg Cr\n1 6 1\ndirect\n0.085588 0.292794 0.250000 Ba\n0.621783 0.322449 0.250000 Mg\n0.621783 0.799332 0.250000 Mg\n0.356354 0.174247 0.750000 Mg\n0.356354 0.682108 0.750000 Mg\n0.740576 0.120288 0.750000 Mg\n0.937765 0.718882 0.750000 Mg\n0.279801 0.889901 0.250000 Cr\n",
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]
}