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{
"id": "jvasp-102066",
"created_at": "2022-09-04T14:37:05.970485Z",
"updated_at": "2022-09-04T14:37:05.970505Z",
"structure_string": "K2 Ta1 Ag1 Cl6\n1.0\n6.285832 0.000000 3.629127\n2.095277 5.926339 3.629127\n-0.000000 -0.000000 7.258253\nK Ta Ag Cl\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 Ta\n0.000000 0.000000 0.000000 Ag\n0.259423 0.259423 0.740576 Cl\n0.259424 0.740577 0.740576 Cl\n0.740577 0.740577 0.259424 Cl\n0.259424 0.740577 0.259424 Cl\n0.740576 0.259423 0.740577 Cl\n0.740576 0.259423 0.259424 Cl\n",
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{
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"structure_string": "Rb2 Sc1 Au1 Br6\n1.0\n6.687103 0.000000 3.860800\n2.229034 6.304661 3.860800\n-0.000000 -0.000000 7.721601\nRb Sc Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.757546 0.242454 0.242454 Br\n0.242454 0.242454 0.757546 Br\n0.242453 0.757546 0.757546 Br\n0.242453 0.757546 0.242454 Br\n0.757546 0.242454 0.757546 Br\n0.757545 0.757546 0.242454 Br\n",
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{
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"created_at": "2022-09-04T14:37:11.520246Z",
"updated_at": "2022-09-04T14:37:11.520267Z",
"structure_string": "Nd2 Cr2 S4 O2\n1.0\n3.699127 -0.000020 -0.000035\n-1.849497 5.750920 -0.008209\n-0.000200 -0.023281 7.922552\nNd Cr S O\n2 2 4 2\ndirect\n0.734714 0.469427 0.792160 Nd\n0.265293 0.530570 0.207841 Nd\n0.000004 0.999995 -0.000001 Cr\n0.499992 0.000008 0.500000 Cr\n0.864527 0.729069 0.470842 S\n0.544149 0.088297 0.198721 S\n0.455850 0.911695 0.801278 S\n0.135465 0.270953 0.529161 S\n0.165403 0.330797 0.939435 O\n0.834603 0.669192 0.060566 O\n",
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"formula_full": "Nd2 Cr2 S4 O2",
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"spacegroup": 12
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{
"id": "jvasp-10663",
"created_at": "2022-09-04T14:37:11.561562Z",
"updated_at": "2022-09-04T14:37:11.561578Z",
"structure_string": "Na4 Pt2 S4\n1.0\n3.585318 -0.000000 0.000000\n-1.792658 5.184248 -0.000000\n-0.000000 0.000000 10.827682\nNa Pt S\n4 2 4\ndirect\n0.170747 0.341492 0.093181 Na\n0.829254 0.658508 0.593181 Na\n0.432470 0.864941 0.876409 Na\n0.567530 0.135059 0.376409 Na\n0.863897 0.727793 0.254593 Pt\n0.136104 0.272207 0.754593 Pt\n0.551251 0.102502 0.635157 S\n0.448749 0.897499 0.135157 S\n0.720543 0.441085 0.874658 S\n0.279458 0.558915 0.374658 S\n",
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"volume": 201.25604909761606,
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{
"id": "jvasp-104773",
"created_at": "2022-09-04T14:37:11.857650Z",
"updated_at": "2022-09-04T14:37:11.857676Z",
"structure_string": "Rb3 Sb1 F6\n1.0\n6.854806 -0.283458 -2.005256\n-2.190147 6.610242 -1.603801\n0.075747 -0.314158 7.140822\nRb Sb F\n3 1 6\ndirect\n-0.000000 0.500000 -0.000000 Rb\n0.500000 -0.000000 -0.000000 Rb\n0.000000 -0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.056500 0.767712 0.767741 F\n0.943501 0.232287 0.232258 F\n0.767793 0.767756 0.056450 F\n0.232207 0.232243 0.943549 F\n0.767676 0.056483 0.767742 F\n0.232324 0.943516 0.232257 F\n",
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{
"id": "jvasp-10003",
"created_at": "2022-09-04T14:37:11.886176Z",
"updated_at": "2022-09-04T14:37:11.886215Z",
"structure_string": "Ba2 Na1 Re1 O6\n1.0\n5.122276 -0.000000 2.957347\n1.707426 4.829328 2.957347\n-0.000000 0.000000 5.914695\nBa Na Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.749999 Ba\n0.000000 0.000000 0.000000 Na\n0.500001 0.500000 0.500000 Re\n0.272459 0.727543 0.727542 O\n0.272459 0.727543 0.272457 O\n0.727543 0.272458 0.727542 O\n0.272458 0.272458 0.727542 O\n0.727543 0.272458 0.272458 O\n0.727543 0.727543 0.272457 O\n",
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"formula_full": "Ba2 Na1 Re1 O6",
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{
"id": "jvasp-12965",
"created_at": "2022-09-04T14:37:12.037642Z",
"updated_at": "2022-09-04T14:37:12.037666Z",
"structure_string": "Mn6 As4\n1.0\n3.364679 -0.000039 0.925135\n1.528059 6.379667 1.023564\n-0.040438 0.064427 6.729845\nMn As\n6 4\ndirect\n0.693791 0.934449 0.677988 Mn\n0.306208 0.065552 0.322012 Mn\n0.604510 0.699890 0.091102 Mn\n0.395490 0.300111 0.908899 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.938501 0.775713 0.347282 As\n0.061498 0.224288 0.652719 As\n0.750348 0.321375 0.177925 As\n0.249651 0.678625 0.822075 As\n",
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"volume": 144.56796393263696,
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"formula_full": "Mn6 As4",
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{
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"created_at": "2022-09-04T14:37:11.929311Z",
"updated_at": "2022-09-04T14:37:11.929328Z",
"structure_string": "Hf4 N4 O2\n1.0\n-3.430602 0.000109 0.008261\n-0.000073 -4.268427 -0.006816\n0.021128 1.540815 8.511460\nHf N O\n4 4 2\ndirect\n0.249569 0.709647 0.894288 Hf\n0.249318 0.875818 0.330048 Hf\n0.749409 0.122147 0.671536 Hf\n0.749364 0.288317 0.107294 Hf\n0.749707 0.667475 0.751410 N\n0.750042 0.783533 0.097581 N\n0.250203 0.214433 0.904000 N\n0.249613 0.330490 0.250176 N\n0.249435 0.186358 0.562058 O\n0.749382 0.811603 0.439526 O\n",
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{
"id": "jvasp-24596",
"created_at": "2022-09-04T14:37:11.969120Z",
"updated_at": "2022-09-04T14:37:11.969143Z",
"structure_string": "Rb2 Co2 Cl6\n1.0\n3.474822 -6.018569 -0.000000\n3.474822 6.018569 -0.000000\n0.000000 -0.000000 5.790188\nRb Co Cl\n2 2 6\ndirect\n0.333333 0.666667 0.250000 Rb\n0.666667 0.333333 0.750000 Rb\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.838409 0.161591 0.250000 Cl\n0.161591 0.323182 0.750000 Cl\n0.676817 0.838408 0.750000 Cl\n0.323182 0.161591 0.250000 Cl\n0.161591 0.838409 0.750000 Cl\n0.838408 0.676817 0.250000 Cl\n",
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{
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"created_at": "2022-09-04T14:37:11.982065Z",
"updated_at": "2022-09-04T14:37:11.982080Z",
"structure_string": "Ca2 C2 O6\n1.0\n3.728431 -0.000018 -0.000000\n-0.000025 5.166463 -1.464983\n0.000001 -0.298181 5.361827\nCa C O\n2 2 6\ndirect\n0.750005 0.805998 0.193995 Ca\n0.250000 0.193996 0.806003 Ca\n-0.000004 0.357714 0.357713 C\n0.499997 0.642287 0.642289 C\n0.749998 0.414699 0.585304 O\n0.250000 0.585302 0.414699 O\n0.668990 0.866852 0.650227 O\n0.331010 0.650225 0.866852 O\n0.168987 0.133150 0.349776 O\n0.831008 0.349774 0.133147 O\n",
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{
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"structure_string": "Mn2 F8\n1.0\n-5.343144 -0.129415 -0.036884\n0.101269 -4.462255 0.952351\n2.608482 1.118756 4.679772\nMn F\n2 8\ndirect\n0.500516 -0.000289 0.001249 Mn\n0.000520 0.499717 0.001257 Mn\n0.176582 0.748289 0.853668 F\n0.656861 0.803856 0.314718 F\n0.824447 0.251136 0.148830 F\n0.324094 0.251432 0.148855 F\n0.344171 0.195588 0.687796 F\n-0.156416 0.298014 0.686568 F\n0.676949 0.748020 0.853640 F\n0.157442 0.701412 0.315953 F\n",
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{
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"structure_string": "Fe1 As2 O7\n1.0\n4.994851 -0.146204 -0.808362\n1.062223 4.882786 0.808362\n-0.010341 0.013223 4.694705\nFe As O\n1 2 7\ndirect\n0.110755 0.110755 -0.000000 Fe\n0.686316 0.259941 0.402115 As\n0.259940 0.686317 0.597884 As\n0.836412 0.030659 0.727594 O\n0.854179 0.357676 0.120981 O\n0.396260 0.136667 0.298606 O\n0.030658 0.836412 0.272405 O\n0.357675 0.854180 0.879018 O\n0.136667 0.396261 0.701393 O\n0.578585 0.578586 0.499999 O\n",
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}