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{
"id": "jvasp-102059",
"created_at": "2022-09-04T14:36:40.697052Z",
"updated_at": "2022-09-04T14:36:40.697070Z",
"structure_string": "K2 Li1 Ce1 Br6\n1.0\n6.751580 -0.000000 3.898027\n2.250527 6.365451 3.898027\n-0.000000 0.000000 7.796053\nK Li Ce Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.259525 0.259525 0.740475 Br\n0.259525 0.740475 0.740475 Br\n0.740476 0.740475 0.259525 Br\n0.259525 0.740475 0.259525 Br\n0.740475 0.259525 0.740475 Br\n0.740475 0.259525 0.259525 Br\n",
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{
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"updated_at": "2022-09-04T14:36:41.188715Z",
"structure_string": "Ac1 In1 Ag2\n1.0\n4.539260 -0.000000 2.620743\n1.513087 4.279656 2.620743\n-0.000000 -0.000000 5.241486\nAc In Ag\n1 1 2\ndirect\n0.500000 0.500001 0.499999 Ac\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750001 0.749999 Ag\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-82065",
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"updated_at": "2022-09-04T14:36:51.560998Z",
"structure_string": "Li1 Cd1 Hg2\n1.0\n-11.850093 2.648331 -2.516947\n-8.367555 1.565350 1.005845\n-7.420513 4.243989 -0.634479\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 -0.000000 Cd\n0.691947 0.040572 0.040572 Hg\n0.308055 0.959424 0.959428 Hg\n",
"nsites": 4,
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"elements": [
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"spacegroup": 12
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{
"id": "jvasp-107868",
"created_at": "2022-09-04T14:36:51.543820Z",
"updated_at": "2022-09-04T14:36:51.543837Z",
"structure_string": "Rb3 Sb1 I6\n1.0\n7.806917 -0.000000 4.507325\n2.602306 7.360432 4.507325\n-0.000000 -0.000000 9.014651\nRb Sb I\n3 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.763840 0.236160 0.236161 I\n0.236160 0.236160 0.763840 I\n0.236161 0.763840 0.763840 I\n0.236161 0.763840 0.236161 I\n0.763840 0.236160 0.763840 I\n0.763841 0.763840 0.236161 I\n",
"nsites": 10,
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"elements": [
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"density": 3.6531375616578297,
"density_atomic": 0.019304929292521707,
"volume": 518.0024152626021,
"volume_molar": 31.194834587313622,
"formula_full": "Rb3 Sb1 I6",
"formula_reduced": "Rb3SbI6",
"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-106454",
"created_at": "2022-09-04T14:36:47.146556Z",
"updated_at": "2022-09-04T14:36:47.146591Z",
"structure_string": "Rb2 In1 Ag1 F6\n1.0\n5.486894 -0.000000 3.167860\n1.828965 5.173093 3.167860\n-0.000000 -0.000000 6.335720\nRb In Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 In\n0.499999 0.500000 0.500001 Ag\n0.233863 0.233863 0.766137 F\n0.233862 0.766136 0.766138 F\n0.766136 0.766136 0.233864 F\n0.233862 0.766136 0.233864 F\n0.766136 0.233863 0.766137 F\n0.766136 0.233863 0.233864 F\n",
"nsites": 10,
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"formula_full": "Rb2 In1 Ag1 F6",
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{
"id": "jvasp-102590",
"created_at": "2022-09-04T14:36:40.684455Z",
"updated_at": "2022-09-04T14:36:40.684474Z",
"structure_string": "Yb6 Ho2\n1.0\n7.308091 -0.000000 0.000000\n-3.654045 6.328993 0.000000\n-0.000000 -0.000000 5.965778\nYb Ho\n6 2\ndirect\n0.170143 0.340287 0.250000 Yb\n0.659713 0.829857 0.250000 Yb\n0.170143 0.829857 0.250000 Yb\n0.829857 0.659713 0.750000 Yb\n0.340287 0.170143 0.750000 Yb\n0.829857 0.170143 0.750000 Yb\n0.333334 0.666666 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-85028",
"created_at": "2022-09-04T14:37:01.360364Z",
"updated_at": "2022-09-04T14:37:01.360391Z",
"structure_string": "K1 Ba1 Hg2\n1.0\n-14.379136 1.121874 1.348663\n-11.579171 0.957434 4.481646\n-9.362480 3.671412 2.642225\nK Ba Hg\n1 1 2\ndirect\n0.000001 -0.000001 0.999999 K\n0.500001 1.000001 0.999997 Ba\n0.753419 0.007865 0.977605 Hg\n0.246583 0.992136 0.022392 Hg\n",
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"volume": 142.22368188198695,
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"formula_full": "K1 Ba1 Hg2",
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"spacegroup": 47
},
{
"id": "jvasp-105178",
"created_at": "2022-09-04T14:37:01.362101Z",
"updated_at": "2022-09-04T14:37:01.362120Z",
"structure_string": "Hg6 Pb2\n1.0\n6.611053 0.000000 0.000000\n-3.305527 5.725340 0.000000\n-0.000000 -0.000000 5.753415\nHg Pb\n6 2\ndirect\n0.165173 0.330347 0.250000 Hg\n0.669652 0.834827 0.250000 Hg\n0.165173 0.834827 0.250000 Hg\n0.834826 0.669653 0.750001 Hg\n0.330347 0.165173 0.750001 Hg\n0.834827 0.165173 0.750001 Hg\n0.333333 0.666667 0.750001 Pb\n0.666666 0.333333 0.250000 Pb\n",
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"elements": [
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{
"id": "jvasp-103652",
"created_at": "2022-09-04T14:36:51.618903Z",
"updated_at": "2022-09-04T14:36:51.618918Z",
"structure_string": "Dy3 Cd3 Au3\n1.0\n7.790304 0.000000 0.000000\n-3.895152 6.746600 0.000000\n0.000000 -0.000000 3.878222\nDy Cd Au\n3 3 3\ndirect\n0.598505 -0.000000 -0.000000 Dy\n0.000000 0.598505 -0.000000 Dy\n0.401495 0.401495 -0.000000 Dy\n0.264695 -0.000000 0.500000 Cd\n0.000000 0.264695 0.500000 Cd\n0.735305 0.735305 0.500000 Cd\n0.333333 0.666667 0.500000 Au\n0.666666 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
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},
{
"id": "jvasp-101018",
"created_at": "2022-09-04T14:36:42.736308Z",
"updated_at": "2022-09-04T14:36:42.736327Z",
"structure_string": "Sr2 Mg1 In1\n1.0\n4.988917 -0.000000 2.880352\n1.662972 4.703596 2.880352\n-0.000000 -0.000000 5.760705\nSr Mg In\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Sr\n0.750000 0.750001 0.749998 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.499999 In\n",
"nsites": 4,
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{
"id": "jvasp-102875",
"created_at": "2022-09-04T14:36:47.522986Z",
"updated_at": "2022-09-04T14:36:47.523010Z",
"structure_string": "K2 Tl1 Cu1 Br6\n1.0\n6.621872 -0.000000 3.823140\n2.207291 6.243161 3.823140\n-0.000000 -0.000000 7.646279\nK Tl Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\n0.737230 0.262770 0.262770 Br\n0.262770 0.262770 0.737230 Br\n0.262770 0.737230 0.737230 Br\n0.262770 0.737230 0.262770 Br\n0.737230 0.262770 0.737230 Br\n0.737230 0.737230 0.262770 Br\n",
"nsites": 10,
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"formula_full": "K2 Tl1 Cu1 Br6",
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{
"id": "jvasp-102918",
"created_at": "2022-09-04T14:36:40.596351Z",
"updated_at": "2022-09-04T14:36:40.596371Z",
"structure_string": "Ba1 Na2 Sn1\n1.0\n4.824473 0.000000 2.785411\n1.608158 4.548557 2.785411\n-0.000000 0.000000 5.570822\nBa Na Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.749999 Na\n0.000000 0.000000 0.000000 Sn\n",
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