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{
"id": "jvasp-11393",
"created_at": "2022-09-04T14:38:31.880254Z",
"updated_at": "2022-09-04T14:38:31.880279Z",
"structure_string": "K6 Au2 Se4\n1.0\n7.367167 0.020030 2.950928\n2.004017 7.089391 2.950928\n0.026403 0.020030 7.936147\nK Au Se\n6 2 4\ndirect\n0.958660 0.541340 0.250000 K\n0.250000 0.958659 0.541341 K\n0.541340 0.250000 0.958660 K\n0.041340 0.458659 0.750001 K\n0.750000 0.041340 0.458660 K\n0.458660 0.750000 0.041341 K\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.635149 0.635149 0.635150 Se\n0.864851 0.864851 0.864852 Se\n0.135149 0.135149 0.135149 Se\n0.364851 0.364851 0.364851 Se\n",
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{
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"structure_string": "Y2 Br6\n1.0\n3.543448 6.120477 -0.002073\n-3.543448 6.120477 0.002073\n-2.365625 0.000000 6.353374\nY Br\n2 6\ndirect\n0.166388 0.166388 0.000000 Y\n0.833612 0.833612 0.000000 Y\n0.070758 0.582850 0.752175 Br\n0.417150 0.929242 0.752175 Br\n0.232856 0.767144 0.254525 Br\n0.767144 0.232856 0.745475 Br\n0.582851 0.070758 0.247825 Br\n0.929243 0.417150 0.247825 Br\n",
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{
"id": "jvasp-108115",
"created_at": "2022-09-04T14:38:19.967339Z",
"updated_at": "2022-09-04T14:38:19.967363Z",
"structure_string": "K5 Br4 Cl1\n1.0\n7.855589 -0.003100 -1.331646\n-5.606136 5.502865 -1.331646\n0.001268 0.003100 7.967657\nK Br Cl\n5 4 1\ndirect\n0.597035 0.207973 0.805008 K\n0.402965 0.792028 0.194992 K\n0.792027 0.597035 0.389061 K\n0.000000 0.000000 0.000000 K\n0.207973 0.402966 0.610938 K\n0.902556 0.299992 0.202547 Br\n0.299992 0.097444 0.397437 Br\n0.700009 0.902556 0.602563 Br\n0.097445 0.700009 0.797453 Br\n0.500000 0.500000 -0.000000 Cl\n",
"nsites": 10,
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"elements": [
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"density": 2.65490338316783,
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"volume": 344.3542332173209,
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"formula_full": "K5 Br4 Cl1",
"formula_reduced": "K5Br4Cl",
"formula_anonymous": "AB4C5",
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"spacegroup": 87
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{
"id": "jvasp-106136",
"created_at": "2022-09-04T14:35:56.116566Z",
"updated_at": "2022-09-04T14:35:56.116591Z",
"structure_string": "Ba3 Sr1 Ag4\n1.0\n4.951587 0.000000 0.000000\n0.000000 6.529558 0.085964\n0.000000 0.004218 8.519610\nBa Sr Ag\n3 1 4\ndirect\n0.500000 0.367469 0.182619 Ba\n0.000000 0.867043 0.321440 Ba\n0.000000 0.634203 0.817686 Ba\n0.500000 0.134442 0.681177 Sr\n0.500000 0.621329 0.541064 Ag\n0.500000 0.883775 0.028991 Ag\n0.000000 0.365888 0.473117 Ag\n0.000000 0.125852 0.953902 Ag\n",
"nsites": 8,
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"density": 5.612910555546304,
"density_atomic": 0.02904322939854676,
"volume": 275.4514620333611,
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"formula_full": "Ba3 Sr1 Ag4",
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{
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"created_at": "2022-09-04T14:38:03.568900Z",
"updated_at": "2022-09-04T14:38:03.568927Z",
"structure_string": "Rb1 Mg3\n1.0\n8.585410 1.061515 0.000000\n-1.686702 2.921455 0.000000\n0.000000 0.000000 5.124227\nRb Mg\n1 3\ndirect\n0.134075 0.634074 0.250000 Rb\n0.658995 0.658993 0.250000 Mg\n0.436527 0.436525 0.750000 Mg\n0.770403 0.270402 0.750000 Mg\n",
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{
"id": "jvasp-102168",
"created_at": "2022-09-04T14:36:37.863578Z",
"updated_at": "2022-09-04T14:36:37.863603Z",
"structure_string": "Tm1 Bi1 Te3\n1.0\n4.238412 -0.022270 9.864053\n2.011531 3.730733 9.864053\n-0.037532 -0.022270 10.736026\nTm Bi Te\n1 1 3\ndirect\n0.398702 0.398701 0.398702 Tm\n0.600736 0.600736 0.600736 Bi\n0.005413 0.005413 0.005413 Te\n0.212322 0.212321 0.212322 Te\n0.782829 0.782828 0.782829 Te\n",
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{
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"created_at": "2022-09-04T14:35:50.087714Z",
"updated_at": "2022-09-04T14:35:50.087735Z",
"structure_string": "Nd1\n1.0\n3.162202 0.000000 1.825699\n1.054067 2.981353 1.825699\n-0.000000 -0.000000 3.651397\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n",
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{
"id": "jvasp-25146",
"created_at": "2022-09-04T14:37:50.405962Z",
"updated_at": "2022-09-04T14:37:50.405982Z",
"structure_string": "Nd1\n1.0\n3.162202 0.000000 1.825699\n1.054067 2.981353 1.825699\n-0.000000 -0.000000 3.651397\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n",
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{
"id": "jvasp-65801",
"created_at": "2022-09-04T14:36:03.533573Z",
"updated_at": "2022-09-04T14:36:03.533601Z",
"structure_string": "Ba1 Sr1 Cl2\n1.0\n4.160983 0.000000 0.000000\n0.000000 4.161285 0.000000\n0.000000 0.000000 7.952057\nBa Sr Cl\n1 1 2\ndirect\n0.500000 0.500001 0.845675 Ba\n0.000000 0.000000 0.385836 Sr\n0.000000 0.000000 0.002917 Cl\n0.500000 0.500001 0.265573 Cl\n",
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{
"id": "jvasp-39508",
"created_at": "2022-09-04T14:37:43.359918Z",
"updated_at": "2022-09-04T14:37:43.359941Z",
"structure_string": "K1 Y1 Sn1\n1.0\n4.560553 -0.000000 2.633037\n1.520185 4.299731 2.633037\n0.000000 0.000000 5.266074\nK Y Sn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Y\n0.499999 0.500000 0.500001 Sn\n",
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},
{
"id": "jvasp-85234",
"created_at": "2022-09-04T14:37:19.209742Z",
"updated_at": "2022-09-04T14:37:19.209753Z",
"structure_string": "Ba4 Ge2 Te4 Se4\n1.0\n7.242291 0.000000 0.000000\n0.000000 7.153801 -2.328902\n0.000000 -0.013177 9.304047\nBa Ge Te Se\n4 2 4 4\ndirect\n0.250000 0.225182 0.054753 Ba\n0.250000 0.224171 0.557403 Ba\n0.750000 0.775828 0.442598 Ba\n0.750000 0.774818 0.945247 Ba\n0.250000 0.783345 0.696350 Ge\n0.750000 0.216654 0.303650 Ge\n0.250000 0.609609 0.900643 Te\n0.250000 0.610495 0.405418 Te\n0.750000 0.389505 0.594583 Te\n0.750000 0.390390 0.099357 Te\n0.505260 -0.004064 0.751273 Se\n0.005260 0.004064 0.248727 Se\n0.494740 0.004064 0.248727 Se\n0.994740 -0.004064 0.751273 Se\n",
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{
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"created_at": "2022-09-04T14:38:18.209825Z",
"updated_at": "2022-09-04T14:38:18.209846Z",
"structure_string": "Rb2 Hg1 As1 Br6\n1.0\n6.812049 -0.000000 3.932939\n2.270683 6.422462 3.932939\n-0.000000 -0.000000 7.865877\nRb Hg As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Hg\n0.000000 0.000000 0.000000 As\n0.759870 0.240130 0.240130 Br\n0.240130 0.240130 0.759870 Br\n0.240130 0.759870 0.759871 Br\n0.240130 0.759870 0.240131 Br\n0.759870 0.240130 0.759870 Br\n0.759870 0.759870 0.240131 Br\n",
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