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{
"id": "jvasp-90854",
"created_at": "2022-09-04T14:35:43.386296Z",
"updated_at": "2022-09-04T14:35:43.386320Z",
"structure_string": "K1 Cd4 As3\n1.0\n-2.266297 -3.925342 0.000000\n2.266297 -3.925342 0.000000\n-0.000000 -2.616894 12.031292\nK Cd As\n1 4 3\ndirect\n0.500000 0.500000 0.500000 K\n0.089762 0.089762 0.730713 Cd\n0.910237 0.910237 0.269287 Cd\n0.301042 0.301042 0.096873 Cd\n0.698957 0.698957 0.903127 Cd\n0.226460 0.226460 0.320621 As\n0.773540 0.773540 0.679379 As\n0.000000 0.000000 0.000000 As\n",
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{
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"structure_string": "Rb2 Se1 Cl6\n1.0\n6.113069 0.000000 3.529382\n2.037690 5.763457 3.529382\n0.000000 0.000000 7.058764\nRb Se Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Se\n0.244263 0.755738 0.755736 Cl\n0.244263 0.755738 0.244262 Cl\n0.755737 0.244263 0.755736 Cl\n0.755737 0.244263 0.244262 Cl\n0.755737 0.755738 0.244262 Cl\n0.244263 0.244263 0.755737 Cl\n",
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{
"id": "jvasp-66244",
"created_at": "2022-09-04T14:35:42.679168Z",
"updated_at": "2022-09-04T14:35:42.679196Z",
"structure_string": "Ba1 Zn1 Bi1\n1.0\n0.000000 3.947518 3.947518\n3.947518 0.000000 3.947518\n3.947518 3.947518 0.000000\nBa Zn Bi\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
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"formula_full": "Ba1 Zn1 Bi1",
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{
"id": "jvasp-69088",
"created_at": "2022-09-04T14:35:59.359505Z",
"updated_at": "2022-09-04T14:35:59.359525Z",
"structure_string": "Ba1 Co1 Hg4\n1.0\n0.000000 4.309773 4.309773\n4.309773 0.000000 4.309773\n4.309773 4.309773 -0.000000\nBa Co Hg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Co\n0.122029 0.625990 0.625990 Hg\n0.625990 0.625990 0.625990 Hg\n0.625990 0.122029 0.625990 Hg\n0.625990 0.625990 0.122029 Hg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Co-Hg",
"density": 10.357531390187205,
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"volume": 160.10068268431652,
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{
"id": "jvasp-64129",
"created_at": "2022-09-04T14:35:42.097982Z",
"updated_at": "2022-09-04T14:35:42.098000Z",
"structure_string": "K1 Ba1 Zn1\n1.0\n-0.000000 4.073482 4.073482\n4.073482 0.000000 4.073482\n4.073482 4.073482 -0.000000\nK Ba Zn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.02219186768403066,
"volume": 135.18465605122591,
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"formula_full": "K1 Ba1 Zn1",
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{
"id": "jvasp-91188",
"created_at": "2022-09-04T14:35:51.350329Z",
"updated_at": "2022-09-04T14:35:51.350349Z",
"structure_string": "Ba2 Hg1 Bi1\n1.0\n-13.824297 4.969749 0.134269\n-9.771811 1.676278 3.089803\n-8.041537 6.570574 0.093328\nBa Hg Bi\n2 1 1\ndirect\n0.749468 0.000401 0.000403 Ba\n0.250528 -0.000397 -0.000399 Ba\n0.000010 -0.000008 -0.000008 Hg\n0.499994 0.000005 0.000005 Bi\n",
"nsites": 4,
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{
"id": "jvasp-65063",
"created_at": "2022-09-04T14:35:44.933393Z",
"updated_at": "2022-09-04T14:35:44.933430Z",
"structure_string": "K4 Sr1 Be1\n1.0\n0.000000 5.488627 5.488627\n5.488627 -0.000000 5.488627\n5.488627 5.488627 0.000000\nK Sr Be\n4 1 1\ndirect\n0.122149 0.625951 0.625951 K\n0.625951 0.625951 0.625951 K\n0.625951 0.122149 0.625951 K\n0.625951 0.625951 0.122149 K\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n",
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"volume": 330.69006594717274,
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"formula_full": "K4 Sr1 Be1",
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{
"id": "jvasp-93209",
"created_at": "2022-09-04T14:35:42.005075Z",
"updated_at": "2022-09-04T14:35:42.005102Z",
"structure_string": "K1 Na1 Mg6\n1.0\n7.386756 0.536134 0.000000\n-3.229073 5.592917 0.000000\n0.000000 0.000000 5.276143\nK Na Mg\n1 1 6\ndirect\n0.128688 0.314343 0.250000 K\n0.165836 0.832917 0.250000 Na\n0.649509 0.329561 0.250000 Mg\n0.649509 0.819946 0.250000 Mg\n0.389335 0.194703 0.750000 Mg\n0.389336 0.694633 0.750000 Mg\n0.787731 0.143866 0.750000 Mg\n0.840058 0.670029 0.750000 Mg\n",
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"volume": 227.11014576398685,
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"formula_full": "K1 Na1 Mg6",
"formula_reduced": "KNaMg6",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-86781",
"created_at": "2022-09-04T14:35:50.966264Z",
"updated_at": "2022-09-04T14:35:50.966279Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n7.109104 0.000000 -2.586618\n0.000000 8.012516 0.000000\n0.039306 0.000000 10.325033\nRb Fe I\n4 2 8\ndirect\n0.199243 0.743885 0.037459 Rb\n0.297364 0.743859 0.587660 Rb\n0.702636 0.243858 0.412339 Rb\n0.800757 0.243884 0.962541 Rb\n0.801823 0.744139 0.214131 Fe\n0.198177 0.244139 0.785868 Fe\n0.632258 0.744464 0.944896 I\n0.582323 0.744300 0.362297 I\n0.028471 0.487893 0.279584 I\n0.367742 0.244464 0.055103 I\n0.971115 0.500163 0.720285 I\n0.417677 0.244299 0.637703 I\n0.971529 0.987893 0.720416 I\n0.028885 0.000163 0.279715 I\n",
"nsites": 14,
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],
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"density": 4.141279156114396,
"density_atomic": 0.023771231401834316,
"volume": 588.9471926523623,
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"formula_full": "Rb4 Fe2 I8",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-105686",
"created_at": "2022-09-04T14:35:53.674833Z",
"updated_at": "2022-09-04T14:35:53.674850Z",
"structure_string": "Rb3 Er1 Cl6\n1.0\n6.885521 0.000000 3.975357\n2.295173 6.491732 3.975357\n-0.000000 0.000000 7.950715\nRb Er Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Er\n0.769535 0.230464 0.230465 Cl\n0.230464 0.230464 0.769535 Cl\n0.230464 0.769535 0.769536 Cl\n0.230464 0.769535 0.230465 Cl\n0.769535 0.230464 0.769536 Cl\n0.769535 0.769535 0.230465 Cl\n",
"nsites": 10,
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{
"id": "jvasp-65011",
"created_at": "2022-09-04T14:35:49.892344Z",
"updated_at": "2022-09-04T14:35:49.892370Z",
"structure_string": "Sr1 Mg4 Be1\n1.0\n0.000000 4.242342 4.242342\n4.242342 0.000000 4.242342\n4.242342 4.242342 -0.000000\nSr Mg Be\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.122625 0.625792 0.625792 Mg\n0.625792 0.625792 0.625792 Mg\n0.625792 0.122625 0.625792 Mg\n0.625792 0.625792 0.122625 Mg\n0.000000 0.000000 0.000000 Be\n",
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"volume": 152.7028087983757,
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{
"id": "jvasp-99477",
"created_at": "2022-09-04T14:36:11.413329Z",
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"structure_string": "K2 Pr1 Cu1 I6\n1.0\n7.264758 -0.000000 4.194310\n2.421586 6.849279 4.194310\n-0.000000 -0.000000 8.388620\nK Pr Cu I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.760810 0.239191 0.239191 I\n0.239191 0.239191 0.760809 I\n0.239191 0.760809 0.760809 I\n0.239191 0.760809 0.239191 I\n0.760810 0.239191 0.760809 I\n0.760810 0.760809 0.239190 I\n",
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