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{
"id": "jvasp-49915",
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"updated_at": "2022-09-04T14:37:14.249349Z",
"structure_string": "Fe3 Sn2 S8\n1.0\n-5.039968 5.046403 -0.158549\n5.039968 -0.158549 5.046403\n5.039968 5.046403 -0.158549\nFe Sn S\n3 2 8\ndirect\n0.624046 0.254045 0.629999 Fe\n0.254613 0.500000 0.245387 Fe\n0.115955 0.745954 0.629999 Fe\n0.627366 0.262199 0.110434 Sn\n0.627365 0.737800 0.634834 Sn\n0.861486 0.256919 0.395433 S\n0.371230 0.224318 0.404450 S\n0.878562 0.293740 0.827696 S\n0.878562 0.706259 0.415179 S\n0.376928 0.230961 0.854035 S\n0.915003 0.769037 0.854035 S\n0.347647 0.743080 0.395433 S\n0.371229 0.775681 0.853089 S\n",
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{
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{
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"structure_string": "Y1 Mn6 Sn6\n1.0\n2.729882 -4.728294 0.000000\n2.729882 4.728294 -0.000000\n0.000000 0.000000 8.965869\nY Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.751593 Mn\n0.000000 0.500000 0.248407 Mn\n0.500000 0.000000 0.248407 Mn\n0.500000 0.500000 0.248407 Mn\n0.500000 0.500000 0.751593 Mn\n0.000000 0.500000 0.751593 Mn\n0.333333 0.666666 0.500000 Sn\n0.666666 0.333333 0.500000 Sn\n0.333333 0.666666 0.000000 Sn\n0.666666 0.333333 0.000000 Sn\n0.000000 0.000000 0.332849 Sn\n0.000000 0.000000 0.667151 Sn\n",
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"volume": 231.45721989182854,
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"formula_full": "Y1 Mn6 Sn6",
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"formula_anonymous": "AB6C6",
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{
"id": "jvasp-47502",
"created_at": "2022-09-04T14:37:09.469745Z",
"updated_at": "2022-09-04T14:37:09.469762Z",
"structure_string": "Co5 O8\n1.0\n-5.672134 -0.000000 0.000000\n-2.836067 4.912212 0.000000\n-2.836067 -1.637404 -4.631278\nCo O\n5 8\ndirect\n0.495650 0.497826 0.502175 Co\n0.495650 0.006525 0.502175 Co\n0.250000 0.875000 0.125000 Co\n0.004350 0.497826 0.502175 Co\n0.004350 0.497826 0.993476 Co\n0.977750 0.738875 0.261125 O\n0.977750 0.283375 0.261125 O\n0.522250 0.738875 0.716625 O\n0.522250 0.738875 0.261125 O\n0.469448 0.265277 0.734724 O\n0.469448 0.265277 0.295828 O\n0.030552 0.704172 0.734724 O\n0.030552 0.265277 0.734724 O\n",
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{
"id": "jvasp-10732",
"created_at": "2022-09-04T14:37:27.673246Z",
"updated_at": "2022-09-04T14:37:27.673268Z",
"structure_string": "Zn1 Ni4 O8\n1.0\n4.851795 -0.182926 3.380590\n1.666826 4.560160 3.380590\n-0.272414 -0.182926 5.907122\nZn Ni O\n1 4 8\ndirect\n0.500001 0.500000 0.499999 Zn\n0.500002 0.999998 0.500001 Ni\n0.999999 0.499999 0.500002 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.755916 0.284375 0.755916 O\n0.244084 0.244084 0.715623 O\n0.244084 0.715624 0.244084 O\n0.715622 0.244084 0.244085 O\n0.268129 0.268130 0.268129 O\n0.731872 0.731870 0.731871 O\n0.284379 0.755915 0.755915 O\n0.755917 0.755915 0.284377 O\n",
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{
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"created_at": "2022-09-04T14:37:32.952601Z",
"updated_at": "2022-09-04T14:37:32.952628Z",
"structure_string": "Sm9 Ga4\n1.0\n4.830731 0.000000 1.453592\n2.415365 8.385229 0.726797\n-0.000781 0.000000 8.756386\nSm Ga\n9 4\ndirect\n0.500000 -0.000000 -0.000000 Sm\n0.122468 0.283271 0.471793 Sm\n0.594261 0.528207 0.283271 Sm\n0.405738 0.471793 0.716730 Sm\n0.877531 0.716730 0.528208 Sm\n0.186367 0.922017 0.705248 Sm\n0.891614 0.294753 0.922017 Sm\n0.108385 0.705247 0.077984 Sm\n0.813632 0.077983 0.294753 Sm\n0.388385 0.880101 0.343129 Ga\n0.731513 0.656872 0.880101 Ga\n0.268486 0.343128 0.119899 Ga\n0.611614 0.119899 0.656872 Ga\n",
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"volume": 354.70257034289517,
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"formula_full": "Sm9 Ga4",
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{
"id": "jvasp-58187",
"created_at": "2022-09-04T14:37:28.301076Z",
"updated_at": "2022-09-04T14:37:28.301097Z",
"structure_string": "Ba1 Sn4 O8\n1.0\n3.017672 -5.226762 0.000000\n3.017672 5.226762 -0.000000\n-0.000000 -0.000000 7.269597\nBa Sn O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.274342 Sn\n0.666667 0.333333 0.274342 Sn\n0.333333 0.666667 0.725659 Sn\n0.666667 0.333333 0.725659 Sn\n0.670515 0.670515 0.298746 O\n-0.000000 0.329484 0.298746 O\n0.329484 -0.000000 0.298746 O\n0.329484 0.329484 0.701254 O\n0.670515 -0.000000 0.701254 O\n-0.000000 0.670515 0.701254 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"formula_full": "Ba1 Sn4 O8",
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{
"id": "jvasp-30635",
"created_at": "2022-09-04T14:37:27.490452Z",
"updated_at": "2022-09-04T14:37:27.490477Z",
"structure_string": "Mg2 Mn3 O8\n1.0\n4.635697 0.032605 -1.387365\n-0.838534 4.983718 -2.684730\n-0.011741 -0.139875 5.843021\nMg Mn O\n2 3 8\ndirect\n0.650239 0.722763 0.445525 Mg\n0.349762 0.277240 0.554477 Mg\n0.500001 1.000000 0.000001 Mn\n1.000000 0.739299 0.000002 Mn\n1.000000 0.260703 0.000002 Mn\n0.071627 0.392605 0.785209 O\n0.928375 0.607396 0.214793 O\n0.091095 0.894773 0.789542 O\n0.908907 0.105229 0.210459 O\n0.398670 0.340313 0.226844 O\n0.398671 0.886532 0.226844 O\n0.601332 0.113469 0.773158 O\n0.601333 0.659689 0.773158 O\n",
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"structure_string": "Mg1 Sb4 O8\n1.0\n3.178439 -0.349097 0.718256\n0.361981 6.960054 1.879686\n-0.144198 1.286133 8.741740\nMg Sb O\n1 4 8\ndirect\n0.267678 0.128562 0.013817 Mg\n0.369210 0.098856 0.688273 Sb\n0.140427 0.522149 0.283347 Sb\n0.861030 0.521448 0.817045 Sb\n0.582259 0.883156 0.397610 Sb\n0.984213 0.730533 0.580357 O\n0.386337 0.362941 0.758207 O\n0.582938 0.594385 0.395015 O\n0.034393 0.262407 0.488729 O\n0.839815 0.036396 0.872906 O\n0.750975 0.293115 0.039564 O\n0.162328 0.886166 0.230248 O\n0.335877 0.655982 0.865535 O\n",
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"structure_string": "Mg1 Sb4 O8\n1.0\n3.119821 0.113964 0.916304\n1.568630 6.368003 2.543857\n0.362201 1.293275 10.262687\nMg Sb O\n1 4 8\ndirect\n0.241865 0.144823 0.198442 Mg\n0.601024 0.266502 0.477640 Sb\n0.136636 0.719570 0.132625 Sb\n0.861824 0.371716 0.892745 Sb\n0.397546 0.773154 0.556964 Sb\n0.810112 0.675207 0.720711 O\n0.521076 0.281191 0.802491 O\n0.496703 0.755971 0.249840 O\n0.218888 0.376854 0.288704 O\n0.149600 0.049418 0.601273 O\n0.877173 0.103600 0.088081 O\n0.880507 0.010554 0.406661 O\n0.185212 0.462069 -0.007383 O\n",
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{
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"structure_string": "Ba3 As2 O8\n1.0\n5.427831 0.007704 5.759472\n2.291353 4.920479 5.759472\n0.012066 0.007704 7.914083\nBa As O\n3 2 8\ndirect\n0.794091 0.794089 0.794090 Ba\n0.205910 0.205909 0.205909 Ba\n0.000000 0.000000 0.000000 Ba\n0.592582 0.592580 0.592581 As\n0.407419 0.407418 0.407419 As\n0.672397 0.672396 0.672397 O\n0.327603 0.327603 0.327603 O\n0.726576 0.726575 0.243142 O\n0.726577 0.243141 0.726575 O\n0.243142 0.726575 0.726575 O\n0.273424 0.756858 0.273424 O\n0.273425 0.273423 0.756857 O\n0.756858 0.273423 0.273424 O\n",
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"structure_string": "V2 Pb3 O8\n1.0\n5.295461 -0.009032 5.329536\n2.191730 4.820613 5.329536\n-0.014055 -0.009032 7.513032\nV Pb O\n2 3 8\ndirect\n0.595078 0.595079 0.595080 V\n0.404921 0.404921 0.404922 V\n0.799405 0.799407 0.799408 Pb\n0.200593 0.200594 0.200594 Pb\n0.000000 0.000000 0.000000 Pb\n0.679522 0.679523 0.679524 O\n0.320477 0.320477 0.320478 O\n0.731779 0.731779 0.235953 O\n0.731778 0.235953 0.731780 O\n0.235952 0.731779 0.731780 O\n0.268221 0.764047 0.268222 O\n0.268220 0.268221 0.764048 O\n0.764047 0.268221 0.268222 O\n",
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}