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{
"id": "jvasp-65647",
"created_at": "2022-09-04T14:36:14.366246Z",
"updated_at": "2022-09-04T14:36:14.366273Z",
"structure_string": "Ba1 Mg1 Cl2\n1.0\n4.148226 0.000000 0.000000\n0.000000 4.148226 0.000000\n0.000000 0.000000 6.573201\nBa Mg Cl\n1 1 2\ndirect\n0.500001 0.500001 0.793837 Ba\n0.000000 0.000000 0.398812 Mg\n0.000000 0.000000 0.010816 Cl\n0.500001 0.500001 0.296533 Cl\n",
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{
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{
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"structure_string": "Ba2 Li1 Cl1\n1.0\n0.000000 4.178290 4.178290\n4.178290 0.000000 4.178290\n4.178290 4.178290 0.000000\nBa Li Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-102871",
"created_at": "2022-09-04T14:36:34.813124Z",
"updated_at": "2022-09-04T14:36:34.813146Z",
"structure_string": "K2 Pr1 Ag1 Cl6\n1.0\n6.616996 -0.000000 3.820324\n2.205666 6.238563 3.820324\n0.000000 -0.000000 7.640648\nK Pr Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Pr\n0.000000 0.000000 0.000000 Ag\n0.752217 0.247784 0.247783 Cl\n0.247784 0.247784 0.752216 Cl\n0.247785 0.752216 0.752215 Cl\n0.247785 0.752216 0.247783 Cl\n0.752217 0.247784 0.752215 Cl\n0.752217 0.752216 0.247783 Cl\n",
"nsites": 10,
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"elements": [
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"formula_full": "K2 Pr1 Ag1 Cl6",
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{
"id": "jvasp-93157",
"created_at": "2022-09-04T14:36:20.893811Z",
"updated_at": "2022-09-04T14:36:20.893833Z",
"structure_string": "Li1 Mg6 Cd1\n1.0\n6.321184 -0.001778 0.000000\n-3.162132 5.476971 0.000000\n0.000000 0.000000 5.018201\nLi Mg Cd\n1 6 1\ndirect\n0.165081 0.332540 0.250000 Li\n0.668643 0.332083 0.250000 Mg\n0.668643 0.836559 0.250000 Mg\n0.328759 0.167468 0.750000 Mg\n0.328759 0.661292 0.750000 Mg\n0.837613 0.168806 0.750000 Mg\n0.833153 0.666577 0.750000 Mg\n0.169345 0.834672 0.250000 Cd\n",
"nsites": 8,
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"elements": [
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"density": 2.5349928925224003,
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"formula_full": "Li1 Mg6 Cd1",
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{
"id": "jvasp-66159",
"created_at": "2022-09-04T14:36:13.387492Z",
"updated_at": "2022-09-04T14:36:13.387508Z",
"structure_string": "Ba1 Tl1 Se1\n1.0\n-0.000000 3.871650 3.871650\n3.871650 0.000000 3.871650\n3.871650 3.871650 -0.000000\nBa Tl Se\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-99452",
"created_at": "2022-09-04T14:36:34.828546Z",
"updated_at": "2022-09-04T14:36:34.828572Z",
"structure_string": "Cd1 Hg1 Se2\n1.0\n4.390308 -0.000000 0.000000\n0.000000 4.390308 0.000000\n0.000000 0.000000 6.187720\nCd Hg Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.254013 Se\n0.500000 0.000000 0.745987 Se\n",
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{
"id": "jvasp-99590",
"created_at": "2022-09-04T14:36:34.832128Z",
"updated_at": "2022-09-04T14:36:34.832159Z",
"structure_string": "Na2 Li1 As1 F6\n1.0\n4.909423 -0.000000 2.834456\n1.636474 4.628648 2.834456\n-0.000000 -0.000000 5.668913\nNa Li As F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 As\n0.744930 0.255069 0.255070 F\n0.255069 0.255069 0.744931 F\n0.255068 0.744931 0.744932 F\n0.255068 0.744931 0.255070 F\n0.744930 0.255069 0.744932 F\n0.744930 0.744931 0.255070 F\n",
"nsites": 10,
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"density": 3.1173062270392977,
"density_atomic": 0.07762750008364577,
"volume": 128.82032770892692,
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"formula_full": "Na2 Li1 As1 F6",
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{
"id": "jvasp-94749",
"created_at": "2022-09-04T14:36:20.099034Z",
"updated_at": "2022-09-04T14:36:20.099047Z",
"structure_string": "Ba1 Mg6 Al1\n1.0\n6.689723 0.763047 0.000000\n-2.684044 6.174993 0.000000\n0.000000 0.000000 4.978525\nBa Mg Al\n1 6 1\ndirect\n0.382875 0.117126 0.749999 Ba\n0.099881 0.787805 0.250000 Mg\n0.712194 0.400119 0.250000 Mg\n0.631621 0.868379 0.250000 Mg\n0.290115 0.593189 0.749999 Mg\n0.906811 0.209886 0.749999 Mg\n0.807395 0.692605 0.749999 Mg\n0.169107 0.330893 0.250000 Al\n",
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{
"id": "jvasp-97402",
"created_at": "2022-09-04T14:36:20.145179Z",
"updated_at": "2022-09-04T14:36:20.145201Z",
"structure_string": "Cu4 Hg4 S4 I4\n1.0\n7.062357 0.000000 0.000000\n0.000000 7.182381 0.000000\n0.000000 0.000000 8.471726\nCu Hg S I\n4 4 4 4\ndirect\n0.293368 0.077102 0.357037 Cu\n0.793368 0.922898 0.642963 Cu\n0.793368 0.422898 0.857037 Cu\n0.293368 0.577102 0.142963 Cu\n0.189346 0.032831 0.946766 Hg\n0.689346 0.967169 0.053235 Hg\n0.689346 0.467169 0.446766 Hg\n0.189346 0.532831 0.553235 Hg\n0.875399 0.117521 0.841696 S\n0.375398 0.882479 0.158305 S\n0.375398 0.382479 0.341696 S\n0.875399 0.617521 0.658305 S\n0.408358 0.915633 0.624247 I\n0.908358 0.084367 0.375754 I\n0.908358 0.584367 0.124246 I\n0.408358 0.415633 0.875754 I\n",
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{
"id": "jvasp-68168",
"created_at": "2022-09-04T14:36:14.419393Z",
"updated_at": "2022-09-04T14:36:14.419413Z",
"structure_string": "Be1 Zn2 Sn1\n1.0\n-2.046464 2.046464 4.016121\n2.046464 -2.046464 4.016121\n2.046464 2.046464 -4.016121\nBe Zn Sn\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.250000 0.749999 0.499999 Zn\n0.749999 0.250000 0.499999 Sn\n",
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{
"id": "jvasp-99718",
"created_at": "2022-09-04T14:36:20.042809Z",
"updated_at": "2022-09-04T14:36:20.042833Z",
"structure_string": "Rb2 Al1 Au1 I6\n1.0\n7.055849 -0.000000 4.073697\n2.351950 6.652318 4.073697\n-0.000000 -0.000000 8.147393\nRb Al Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.756561 0.243439 0.243439 I\n0.243439 0.243439 0.756561 I\n0.243439 0.756561 0.756561 I\n0.243439 0.756561 0.243439 I\n0.756561 0.243439 0.756561 I\n0.756561 0.756561 0.243439 I\n",
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