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{
"id": "jvasp-117078",
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"structure_string": "Li1 Mn5 O7 F1\n1.0\n5.216659 -0.005037 2.874534\n1.695799 4.933338 2.874534\n-0.007064 -0.005037 5.956210\nLi Mn O F\n1 5 7 1\ndirect\n0.763449 0.763447 0.763446 Li\n0.377223 0.377222 0.377222 Mn\n0.986494 0.986492 0.986491 Mn\n0.367361 0.876097 0.367360 Mn\n0.367362 0.367360 0.876096 Mn\n0.876098 0.367360 0.367360 Mn\n0.175208 0.617592 0.617591 O\n0.617593 0.617592 0.175207 O\n0.133938 0.133937 0.576845 O\n0.121165 0.121165 0.121165 O\n0.576845 0.133937 0.133937 O\n0.133938 0.576845 0.133937 O\n0.617593 0.175207 0.617592 O\n0.635744 0.635743 0.635742 F\n",
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{
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"structure_string": "Co4 Hg2 O8\n1.0\n-4.249543 4.249543 0.000000\n4.249543 -0.000000 4.249543\n4.249543 4.249543 -0.000000\nCo Hg O\n4 2 8\ndirect\n0.625000 0.250000 0.125000 Co\n0.625000 0.250000 0.625000 Co\n0.625000 0.749999 0.625000 Co\n0.125000 0.749999 0.625000 Co\n0.000000 0.000000 0.000000 Hg\n0.250000 0.500000 0.250000 Hg\n0.803917 0.202612 0.398694 O\n0.851305 0.297388 0.851305 O\n0.851305 0.702611 0.446082 O\n0.398694 0.202612 0.398694 O\n0.398694 0.797388 0.398694 O\n0.446082 0.297388 0.851305 O\n0.851305 0.702611 0.851305 O\n0.398694 0.797388 0.803917 O\n",
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"formula_full": "Co4 Hg2 O8",
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{
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"updated_at": "2022-09-04T14:36:47.035917Z",
"structure_string": "Li2 Co4 O2 F6\n1.0\n0.000000 4.176676 4.176676\n4.256615 0.021204 4.155470\n4.374775 4.280300 -0.103625\nLi Co O F\n2 4 2 6\ndirect\n0.625001 0.125000 0.624999 Li\n0.625000 0.625001 0.125000 Li\n0.985832 0.962394 0.065942 Co\n0.264168 0.287608 0.184058 Co\n0.125000 0.625001 0.624999 Co\n0.625001 0.625001 0.624999 Co\n0.386425 0.410327 0.816825 O\n0.863576 0.839675 0.433174 O\n0.388540 0.377956 0.371916 F\n0.861590 0.377956 0.371916 F\n0.391327 0.871794 0.345554 F\n0.858674 0.378208 0.904445 F\n0.388411 0.872046 0.878083 F\n0.861461 0.872046 0.878083 F\n",
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{
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"created_at": "2022-09-04T14:38:49.944826Z",
"updated_at": "2022-09-04T14:38:49.944853Z",
"structure_string": "Al4 Fe2 N6\n1.0\n5.496204 0.002916 0.000000\n-2.749039 4.757478 0.000000\n-0.000000 -0.000000 5.029572\nAl Fe N\n4 2 6\ndirect\n0.335679 0.331469 0.492186 Al\n0.664320 0.995790 0.492186 Al\n0.664320 0.668532 0.992186 Al\n0.335679 0.004211 0.992186 Al\n0.000000 0.667242 0.483959 Fe\n0.000000 0.332759 0.983959 Fe\n0.346224 0.335480 0.870016 N\n0.653776 0.989256 0.870016 N\n0.653776 0.664522 0.370017 N\n0.346224 0.010745 0.370017 N\n0.000000 0.683650 0.879633 N\n0.000000 0.316350 0.379634 N\n",
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{
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"created_at": "2022-09-04T14:35:45.521889Z",
"updated_at": "2022-09-04T14:35:45.521920Z",
"structure_string": "Na3 Mg1 P2 H1 O8\n1.0\n4.640182 0.000239 -2.395549\n-0.159184 6.833922 -0.186110\n0.022154 -0.001581 5.174204\nNa Mg P H O\n3 1 2 1 8\ndirect\n0.295007 0.785545 0.661641 Na\n0.704992 0.214455 0.338358 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Mg\n0.355243 0.242700 0.660455 P\n0.644757 0.757300 0.339543 P\n0.500000 0.500000 -0.000000 H\n0.217454 0.097851 0.784073 O\n0.782546 0.902149 0.215926 O\n0.683143 0.211565 0.787427 O\n0.316856 0.788435 0.212571 O\n0.313081 0.456541 0.758365 O\n0.686919 0.543459 0.241634 O\n0.791309 0.772090 0.674316 O\n0.208691 0.227910 0.325683 O\n",
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{
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"created_at": "2022-09-04T14:37:02.047804Z",
"updated_at": "2022-09-04T14:37:02.047828Z",
"structure_string": "Yb4 Ti4 O12\n1.0\n5.307086 0.000000 0.000000\n0.000000 5.454641 0.000000\n0.000000 0.000000 7.573853\nYb Ti O\n4 4 12\ndirect\n0.987226 0.447073 0.750000 Yb\n0.512775 0.947073 0.750000 Yb\n0.487226 0.052927 0.250000 Yb\n0.012774 0.552927 0.250000 Yb\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.795881 0.705309 0.546174 O\n0.704120 0.205309 0.546174 O\n0.704120 0.205309 0.953826 O\n0.587867 0.476232 0.250000 O\n0.412134 0.523767 0.750000 O\n0.204120 0.294691 0.046174 O\n0.295880 0.794691 0.453826 O\n0.204120 0.294691 0.453826 O\n0.795881 0.705309 0.953826 O\n0.087866 0.023767 0.750000 O\n0.295880 0.794691 0.046174 O\n0.912135 0.976232 0.250000 O\n",
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{
"id": "jvasp-42997",
"created_at": "2022-09-04T14:38:10.617996Z",
"updated_at": "2022-09-04T14:38:10.618012Z",
"structure_string": "Fe2 Ni2 P4 O16\n1.0\n0.000000 4.732915 -0.021332\n5.735550 0.000000 0.000000\n0.000000 0.010993 -9.692121\nFe Ni P O\n2 2 4 16\ndirect\n0.061780 0.750000 0.271287 Fe\n0.938219 0.250000 0.728713 Fe\n0.567523 0.250000 0.224003 Ni\n0.432476 0.750000 0.775996 Ni\n0.615676 0.750000 0.085208 P\n0.107827 0.250000 0.406090 P\n0.892171 0.750000 0.593909 P\n0.384322 0.250000 0.914792 P\n0.232780 0.040760 0.839452 O\n0.232780 0.459240 0.839452 O\n0.738366 0.539587 0.666841 O\n0.738366 0.960413 0.666841 O\n0.212125 0.750000 0.614389 O\n0.162615 0.250000 0.561967 O\n0.837383 0.750000 0.438032 O\n0.767218 0.540761 0.160548 O\n0.261633 0.460413 0.333158 O\n0.261633 0.039587 0.333158 O\n0.702272 0.250000 0.887607 O\n0.767218 0.959240 0.160548 O\n0.297726 0.750000 0.112393 O\n0.322004 0.250000 0.069458 O\n0.787873 0.250000 0.385610 O\n0.677995 0.750000 0.930541 O\n",
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},
{
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"created_at": "2022-09-04T14:38:43.051610Z",
"updated_at": "2022-09-04T14:38:43.051635Z",
"structure_string": "Na2 Tm2 Ti4 O12\n1.0\n5.266078 -0.000000 0.000000\n0.000000 5.505642 0.000000\n-0.000000 -0.000000 7.562058\nNa Tm Ti O\n2 2 4 12\ndirect\n0.493964 0.712817 0.500000 Na\n0.993964 0.287182 -0.000000 Na\n0.018460 0.174672 0.500000 Tm\n0.518460 0.825328 -0.000000 Tm\n0.511443 0.265312 0.752371 Ti\n0.011443 0.734688 0.252371 Ti\n0.511443 0.265312 0.247629 Ti\n0.011443 0.734688 0.747629 Ti\n0.609625 0.278749 0.500000 O\n0.917687 0.777104 0.500000 O\n0.282665 0.961430 0.706597 O\n0.186025 0.440265 0.306013 O\n0.686025 0.559735 0.193987 O\n0.282665 0.961430 0.293404 O\n0.686025 0.559735 0.806013 O\n0.782665 0.038569 0.206597 O\n0.109625 0.721251 -0.000000 O\n0.186025 0.440265 0.693987 O\n0.782665 0.038569 0.793404 O\n0.417687 0.222895 -0.000000 O\n",
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"formula_full": "Na2 Tm2 Ti4 O12",
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{
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"created_at": "2022-09-04T14:36:53.403454Z",
"updated_at": "2022-09-04T14:36:53.403485Z",
"structure_string": "Sr1 Ca1 Cr2 O6\n1.0\n3.803405 -0.000000 0.000000\n0.000000 3.803405 0.000000\n-0.000000 -0.000000 7.577759\nSr Ca Cr O\n1 1 2 6\ndirect\n0.499999 0.499999 -0.000000 Sr\n0.499999 0.499999 0.500000 Ca\n0.000000 0.000000 0.253389 Cr\n0.000000 0.000000 0.746611 Cr\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.499999 0.000000 0.743336 O\n0.499999 0.000000 0.256664 O\n-0.000000 0.499999 0.256664 O\n-0.000000 0.499999 0.743336 O\n",
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"volume": 109.6190250641293,
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"spacegroup": 123
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{
"id": "jvasp-67791",
"created_at": "2022-09-04T14:36:07.148642Z",
"updated_at": "2022-09-04T14:36:07.148657Z",
"structure_string": "Mn1 Be1 V1\n1.0\n-1.229206 1.229206 5.440942\n1.229206 -1.229206 5.440942\n1.229206 1.229206 -5.440942\nMn Be V\n1 1 1\ndirect\n0.349190 0.349190 0.000000 Mn\n0.993520 0.993520 0.000000 Be\n0.657288 0.657288 0.000000 V\n",
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{
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"created_at": "2022-09-04T14:37:00.310560Z",
"updated_at": "2022-09-04T14:37:00.310585Z",
"structure_string": "Li2 As2 H4 O2 F12\n1.0\n-3.718174 5.299984 3.059206\n3.718174 -5.299984 3.059206\n3.718174 5.299984 -3.059206\nLi As H O F\n2 2 4 2 12\ndirect\n-0.000001 -0.000001 0.500000 Li\n0.000001 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 As\n0.000000 0.000000 0.000000 As\n0.194521 0.518596 0.675924 H\n0.805479 0.481404 0.324075 H\n0.657329 0.481404 0.175925 H\n0.342671 0.518596 0.824074 H\n0.171772 0.421771 0.749999 O\n0.828229 0.578229 0.250000 O\n0.084872 0.136543 0.285851 F\n0.915128 0.200980 0.051671 F\n0.350693 0.799021 0.214148 F\n0.649308 0.863457 0.448328 F\n0.915128 0.863457 0.714148 F\n0.243068 0.715622 0.527445 F\n0.688178 0.715622 0.972554 F\n0.311823 0.284378 0.027446 F\n0.756932 0.284378 0.472554 F\n0.350692 0.136543 0.551671 F\n0.084872 0.799020 0.948328 F\n0.649307 0.200979 0.785851 F\n",
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{
"id": "jvasp-43808",
"created_at": "2022-09-04T14:36:18.361901Z",
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"structure_string": "Li4 Fe2 F8\n1.0\n2.789145 4.435555 -0.000000\n-2.789145 4.435555 -0.000000\n0.000000 -0.000000 6.201869\nLi Fe F\n4 2 8\ndirect\n0.157468 0.157468 0.250000 Li\n0.499999 0.499999 0.000000 Li\n0.499999 0.499999 0.500000 Li\n0.842530 0.842530 0.750000 Li\n0.159901 0.159901 0.750000 Fe\n0.840098 0.840098 0.250000 Fe\n0.234391 0.750342 0.750000 F\n0.249657 0.765608 0.250000 F\n0.277440 0.277440 0.012477 F\n0.277440 0.277440 0.487523 F\n0.722559 0.722559 0.987523 F\n0.722559 0.722559 0.512477 F\n0.750342 0.234391 0.750000 F\n0.765608 0.249657 0.250000 F\n",
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]
}