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{
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{
"id": "jvasp-102411",
"created_at": "2022-09-04T14:36:45.378037Z",
"updated_at": "2022-09-04T14:36:45.378055Z",
"structure_string": "Na2 In1 Hg1 Br6\n1.0\n6.843647 -0.000000 3.951181\n2.281216 6.452252 3.951181\n-0.000000 -0.000000 7.902363\nNa In Hg Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500001 0.500000 0.499999 Hg\n0.755818 0.244183 0.244182 Br\n0.244183 0.244183 0.755817 Br\n0.244184 0.755817 0.755816 Br\n0.244184 0.755817 0.244182 Br\n0.755818 0.244183 0.755816 Br\n0.755818 0.755817 0.244182 Br\n",
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{
"id": "jvasp-102158",
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"structure_string": "La2 Mg1 Nb1 O6\n1.0\n4.906872 -0.000000 2.832984\n1.635624 4.626244 2.832984\n0.000000 -0.000000 5.665968\nLa Mg Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 La\n0.749999 0.749999 0.750000 La\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 0.500000 Nb\n0.751570 0.248430 0.248429 O\n0.248429 0.751570 0.751570 O\n0.248429 0.751570 0.248430 O\n0.751570 0.248430 0.751570 O\n0.248429 0.248430 0.751570 O\n0.751569 0.751570 0.248429 O\n",
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},
{
"id": "jvasp-102269",
"created_at": "2022-09-04T14:36:45.620874Z",
"updated_at": "2022-09-04T14:36:45.620893Z",
"structure_string": "Rb2 Li1 Sm1 Cl6\n1.0\n6.362709 -0.000000 3.673512\n2.120903 5.998819 3.673512\n-0.000000 -0.000000 7.347023\nRb Li Sm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sm\n0.742653 0.257347 0.257347 Cl\n0.257347 0.257347 0.742652 Cl\n0.257347 0.742653 0.742652 Cl\n0.257347 0.742653 0.257347 Cl\n0.742653 0.257347 0.742652 Cl\n0.742653 0.742653 0.257347 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Li-Rb-Sm",
"density": 3.203248981600344,
"density_atomic": 0.03565995420538115,
"volume": 280.4266080210216,
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"formula_full": "Rb2 Li1 Sm1 Cl6",
"formula_reduced": "Rb2LiSmCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-51228",
"created_at": "2022-09-04T14:36:45.655462Z",
"updated_at": "2022-09-04T14:36:45.655475Z",
"structure_string": "Ir1 Os2 Br1\n1.0\n0.000000 3.165341 3.165341\n3.165341 0.000000 3.165341\n3.165341 3.165341 0.000000\nIr Os Br\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ir\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.06306210833906906,
"volume": 63.42953170060551,
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"formula_full": "Ir1 Os2 Br1",
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"spacegroup": 225
},
{
"id": "jvasp-102415",
"created_at": "2022-09-04T14:36:45.678191Z",
"updated_at": "2022-09-04T14:36:45.678199Z",
"structure_string": "Rb2 Na1 Mo1 I6\n1.0\n7.182704 -0.000000 4.146936\n2.394235 6.771918 4.146936\n-0.000000 -0.000000 8.293872\nRb Na Mo I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Mo\n0.760866 0.239133 0.239134 I\n0.239133 0.239133 0.760867 I\n0.239133 0.760867 0.760867 I\n0.239133 0.760867 0.239134 I\n0.760866 0.239133 0.760867 I\n0.760866 0.760867 0.239134 I\n",
"nsites": 10,
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"density_atomic": 0.02478808697293168,
"volume": 403.41959469965917,
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"formula_full": "Rb2 Na1 Mo1 I6",
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{
"id": "jvasp-8123",
"created_at": "2022-09-04T14:36:45.688406Z",
"updated_at": "2022-09-04T14:36:45.688432Z",
"structure_string": "Li1 Sn1 Pd2\n1.0\n3.884925 0.000000 2.242963\n1.294975 3.662743 2.242963\n0.000000 0.000000 4.485926\nLi Sn Pd\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Sn\n0.250001 0.250000 0.250000 Pd\n0.750002 0.749999 0.749999 Pd\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-4349",
"created_at": "2022-09-04T14:36:45.508825Z",
"updated_at": "2022-09-04T14:36:45.508851Z",
"structure_string": "Hg2 Te2\n1.0\n4.334767 0.212056 0.000000\n-0.215318 4.334606 -0.000000\n0.000000 -0.000000 6.135155\nHg Te\n2 2\ndirect\n0.250147 0.749854 0.250000 Hg\n0.749853 0.250148 0.749999 Hg\n0.750131 0.249871 0.250000 Te\n0.249870 0.750131 0.749999 Te\n",
"nsites": 4,
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"elements": [
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"density": 9.432122522628596,
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"volume": 115.55666605475307,
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"formula_full": "Hg2 Te2",
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"spacegroup": 225
},
{
"id": "jvasp-79902",
"created_at": "2022-09-04T14:36:45.511930Z",
"updated_at": "2022-09-04T14:36:45.511955Z",
"structure_string": "Li1 Sc2 Au1\n1.0\n0.000281 3.362927 3.362938\n3.362947 0.000292 3.362927\n3.362943 3.362912 0.000296\nLi Sc Au\n1 2 1\ndirect\n0.750001 0.750001 0.749999 Li\n0.999996 0.999996 0.999993 Sc\n0.500006 0.500006 0.500004 Sc\n0.249999 0.250001 0.250000 Au\n",
"nsites": 4,
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},
{
"id": "jvasp-104529",
"created_at": "2022-09-04T14:36:45.540492Z",
"updated_at": "2022-09-04T14:36:45.540517Z",
"structure_string": "Na2 Li1 Bi1 Cl6\n1.0\n6.320812 -0.000000 3.649322\n2.106937 5.959319 3.649322\n-0.000000 -0.000000 7.298645\nNa Li Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Bi\n0.740012 0.259988 0.259987 Cl\n0.259988 0.259988 0.740012 Cl\n0.259988 0.740013 0.740011 Cl\n0.259988 0.740013 0.259987 Cl\n0.740012 0.259988 0.740012 Cl\n0.740012 0.740013 0.259987 Cl\n",
"nsites": 10,
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{
"id": "jvasp-79961",
"created_at": "2022-09-04T14:36:45.560387Z",
"updated_at": "2022-09-04T14:36:45.560411Z",
"structure_string": "Ce1 Cd1 Ag2\n1.0\n-0.000002 3.543301 3.542158\n3.543310 0.000004 3.542152\n3.543310 3.543297 0.000004\nCe Cd Ag\n1 1 2\ndirect\n0.749998 0.750000 0.749999 Ce\n0.249999 0.249999 0.250000 Cd\n0.499999 0.499999 0.500000 Ag\n-0.000000 0.999999 1.000000 Ag\n",
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{
"id": "jvasp-34243",
"created_at": "2022-09-04T14:36:46.053455Z",
"updated_at": "2022-09-04T14:36:46.053476Z",
"structure_string": "Sc1 Ta1 Pb2 O6\n1.0\n5.008785 0.000073 2.891597\n1.669535 4.722259 2.891821\n-0.000146 0.000170 5.783449\nSc Ta Pb O\n1 1 2 6\ndirect\n0.500002 0.499998 0.500001 Sc\n0.000000 -0.000001 0.000000 Ta\n0.250012 0.249986 0.250015 Pb\n0.750014 0.749984 0.750014 Pb\n0.244174 0.755824 0.755818 O\n0.755821 0.244182 0.244175 O\n0.755808 0.244196 0.755802 O\n0.244191 0.755809 0.244193 O\n0.244174 0.244196 0.755807 O\n0.755809 0.755822 0.244175 O\n",
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{
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"structure_string": "Pb2 S2\n1.0\n4.245470 0.011778 -0.000000\n-0.012305 4.245469 0.000000\n-0.000000 -0.000000 5.934864\nPb S\n2 2\ndirect\n0.260472 0.760473 0.750057 Pb\n0.760473 0.260474 0.249943 Pb\n0.760527 0.260527 0.749939 S\n0.260526 0.760527 0.250060 S\n",
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}