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{
"id": "jvasp-9360",
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"updated_at": "2022-09-04T14:37:16.791230Z",
"structure_string": "Ba1 Mg1 Cr4 O8\n1.0\n2.671049 -4.626393 -0.000000\n2.671049 4.626393 -0.000000\n0.000000 0.000000 7.183314\nBa Mg Cr O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.740083 Cr\n0.666667 0.333333 0.740083 Cr\n0.333333 0.666667 0.259917 Cr\n0.666667 0.333333 0.259917 Cr\n0.684278 0.000000 0.676965 O\n0.000000 0.684278 0.676965 O\n0.315721 0.315721 0.676965 O\n0.315721 0.000000 0.323034 O\n0.684279 0.684279 0.323034 O\n0.000000 0.315721 0.323034 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"structure_string": "Li6 Mn2 O4 F2\n1.0\n5.316865 0.070271 -0.007714\n0.630224 5.338915 -0.071864\n0.413627 2.506433 5.089652\nLi Mn O F\n6 2 4 2\ndirect\n0.888835 0.226605 0.388693 Li\n0.840463 0.823349 0.988083 Li\n0.589036 0.956884 0.310175 Li\n0.410963 0.043116 0.689826 Li\n0.159536 0.176651 0.011918 Li\n0.111164 0.773394 0.611308 Li\n0.648747 0.514417 0.703863 Mn\n0.351252 0.485583 0.296139 Mn\n0.747572 0.881647 0.649084 O\n0.701630 0.582453 0.311950 O\n0.298369 0.417547 0.688052 O\n0.252427 0.118353 0.350917 O\n0.801797 0.170521 0.042233 F\n0.198202 0.829479 0.957768 F\n",
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{
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"created_at": "2022-09-04T14:37:16.626182Z",
"updated_at": "2022-09-04T14:37:16.626217Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n3.199064 0.011789 0.087853\n-1.575329 6.605857 -0.126846\n-1.350047 -1.698483 9.174733\nMg Sn O\n2 4 8\ndirect\n0.541677 0.178294 0.779768 Mg\n0.493681 0.854772 0.242118 Mg\n0.285227 0.629766 0.886878 Sn\n0.193025 0.238373 0.442155 Sn\n0.842345 0.794691 0.579732 Sn\n0.750198 0.403296 0.135006 Sn\n0.360147 0.548182 0.249627 O\n0.362011 0.873891 0.788202 O\n0.673375 0.159170 0.233679 O\n0.675271 0.484882 0.772257 O\n0.876352 0.707413 0.050208 O\n0.957254 0.118915 0.642661 O\n0.159063 0.325652 0.971676 O\n0.078112 0.914151 0.379225 O\n",
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"formula_full": "Mg2 Sn4 O8",
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{
"id": "jvasp-9194",
"created_at": "2022-09-04T14:37:16.706261Z",
"updated_at": "2022-09-04T14:37:16.706282Z",
"structure_string": "Ba2 Y1 Ni3 O8\n1.0\n3.864880 -0.000000 0.000000\n0.000000 3.864880 0.000000\n-0.000000 0.000000 11.577656\nBa Y Ni O\n2 1 3 8\ndirect\n0.500000 0.500000 0.829904 Ba\n0.500000 0.500000 0.170105 Ba\n0.500000 0.500000 0.499997 Y\n0.000000 0.000000 0.655073 Ni\n0.000000 0.000000 0.000045 Ni\n0.000000 0.000000 0.344927 Ni\n0.500000 0.000000 0.620921 O\n0.000000 0.500000 0.620921 O\n0.000000 0.500000 -0.000006 O\n0.000000 0.000000 0.820376 O\n0.500000 0.000000 0.379072 O\n0.000000 0.500000 0.379072 O\n0.000000 0.000000 0.179599 O\n0.500000 0.000000 -0.000006 O\n",
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{
"id": "jvasp-52137",
"created_at": "2022-09-04T14:37:17.748551Z",
"updated_at": "2022-09-04T14:37:17.748579Z",
"structure_string": "Nd4 U2 Te8\n1.0\n8.197060 0.005710 -0.009890\n-2.726971 7.730167 0.009890\n-2.743120 -3.862228 6.689575\nNd U Te\n4 2 8\ndirect\n0.250000 0.622794 0.372794 Nd\n0.750000 0.877207 0.127207 Nd\n0.627207 0.377207 0.250000 Nd\n0.872794 0.122794 0.750001 Nd\n0.125000 0.750000 0.875001 U\n0.375000 0.250000 0.625000 U\n0.004346 0.851286 0.503551 Te\n0.003551 0.351286 0.504346 Te\n0.496450 0.000795 0.347735 Te\n0.153061 0.148714 0.152266 Te\n0.346940 0.499205 0.995655 Te\n0.495655 0.999205 0.846940 Te\n0.652266 0.648715 0.653061 Te\n0.847735 0.500796 0.996450 Te\n",
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{
"id": "jvasp-10933",
"created_at": "2022-09-04T14:37:17.751117Z",
"updated_at": "2022-09-04T14:37:17.751148Z",
"structure_string": "Ca2 Co4 O8\n1.0\n5.194647 -0.000075 2.999064\n1.731485 4.897584 2.999052\n-0.000018 -0.000027 5.998160\nCa Co O\n2 4 8\ndirect\n0.875008 0.875007 0.874994 Ca\n0.124992 0.124994 0.125005 Ca\n0.500000 0.000000 0.500000 Co\n0.000001 0.499999 0.500000 Co\n0.500001 0.500000 -0.000001 Co\n0.500001 0.500000 0.499999 Co\n0.728082 0.728080 0.728080 O\n0.271920 0.271921 0.684243 O\n0.271925 0.684239 0.271919 O\n0.684238 0.271925 0.271919 O\n0.728078 0.315760 0.728078 O\n0.315762 0.728076 0.728079 O\n0.271920 0.271919 0.271918 O\n0.728081 0.728079 0.315757 O\n",
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"formula_full": "Ca2 Co4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-59903",
"created_at": "2022-09-04T14:37:17.753048Z",
"updated_at": "2022-09-04T14:37:17.753069Z",
"structure_string": "Ca2 Mn4 S8\n1.0\n7.236290 -0.021433 -0.049386\n-3.544412 -6.431464 0.020542\n-3.562175 1.862870 -6.145669\nCa Mn S\n2 4 8\ndirect\n0.000019 0.000015 -0.000021 Ca\n0.500028 0.499977 0.500024 Ca\n-0.000055 0.499979 -0.000037 Mn\n0.500113 0.000021 0.000107 Mn\n0.499941 0.499955 -0.000019 Mn\n0.000099 0.500094 0.500022 Mn\n0.955185 0.698649 0.223021 S\n0.988553 0.270790 0.239794 S\n0.544664 0.276879 0.801334 S\n0.488527 0.739784 0.770773 S\n0.455219 0.723020 0.198652 S\n0.011485 0.729238 0.760203 S\n0.511495 0.260190 0.229257 S\n0.044684 0.301321 0.776889 S\n",
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{
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"created_at": "2022-09-04T14:37:17.760469Z",
"updated_at": "2022-09-04T14:37:17.760491Z",
"structure_string": "Mg4 Tc2 O8\n1.0\n6.068848 -0.029663 -0.005892\n3.008736 5.211283 0.000000\n3.021050 1.729984 4.971142\nMg Tc O\n4 2 8\ndirect\n0.011636 0.988365 0.011635 Mg\n0.238366 0.261634 0.238365 Mg\n0.625000 0.125000 0.625000 Mg\n0.625001 0.624999 0.625000 Mg\n0.125001 0.624999 0.625000 Tc\n0.625001 0.625000 0.125000 Tc\n0.378209 0.391729 0.378209 O\n0.374937 0.391788 0.841487 O\n0.378209 0.851852 0.378209 O\n0.841488 0.391788 0.374937 O\n0.408514 0.858210 0.875064 O\n0.875065 0.858211 0.408513 O\n0.871792 0.398147 0.871792 O\n0.871793 0.858270 0.871792 O\n",
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{
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"created_at": "2022-09-04T14:37:18.761110Z",
"updated_at": "2022-09-04T14:37:18.761129Z",
"structure_string": "Mg2 Fe4 O8\n1.0\n2.758631 -0.000069 0.565818\n1.168672 7.695544 1.309991\n-0.027254 1.104055 7.139453\nMg Fe O\n2 4 8\ndirect\n0.330031 0.144131 0.195904 Mg\n0.665419 0.832916 0.836336 Mg\n0.589875 0.199266 0.621088 Fe\n0.157661 0.477895 0.206898 Fe\n0.837816 0.499153 0.825329 Fe\n0.405599 0.777780 0.411144 Fe\n0.844440 0.701353 0.609932 O\n0.434270 0.378898 0.752658 O\n0.561206 0.598150 0.279568 O\n0.151031 0.275695 0.422300 O\n0.110277 0.021040 0.758520 O\n0.781699 0.343464 0.093232 O\n0.885186 0.956006 0.273709 O\n0.213770 0.633583 0.939000 O\n",
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{
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"updated_at": "2022-09-04T14:37:17.765267Z",
"structure_string": "Na4 Ti2 Cl8\n1.0\n3.714849 0.000000 0.000000\n0.000000 6.924404 -0.000000\n0.000000 -0.000000 12.040286\nNa Ti Cl\n4 2 8\ndirect\n0.000000 0.413498 0.320954 Na\n0.000000 0.586501 0.679046 Na\n0.000000 0.913498 0.179046 Na\n0.000000 0.086502 0.820955 Na\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.256091 0.042674 Cl\n0.500000 0.880668 0.698481 Cl\n0.500000 0.119332 0.301519 Cl\n0.500000 0.380668 0.801519 Cl\n0.500000 0.619331 0.198481 Cl\n0.000000 0.756091 0.457326 Cl\n0.000000 0.243908 0.542674 Cl\n0.000000 0.743908 0.957326 Cl\n",
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"structure_string": "Ba2 Al1 Sn3 O8\n1.0\n4.255709 -0.000000 -0.000000\n0.000000 4.255709 -0.000000\n-0.000000 0.000000 11.221257\nBa Al Sn O\n2 1 3 8\ndirect\n0.500000 0.500000 0.820318 Ba\n0.500000 0.500000 0.179682 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.626018 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.373982 Sn\n0.500000 0.000000 0.627474 O\n0.000000 0.500000 0.627474 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.813495 O\n0.500000 0.000000 0.372526 O\n0.000000 0.500000 0.372526 O\n0.000000 0.000000 0.186505 O\n0.500000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:16.818051Z",
"updated_at": "2022-09-04T14:37:16.818071Z",
"structure_string": "Li2 Co2 Ni2 O8\n1.0\n5.700810 0.000000 -0.000000\n2.850405 4.908301 -0.000263\n2.850405 1.635852 4.627678\nLi Co Ni O\n2 2 2 8\ndirect\n0.121159 0.128840 0.128841 Li\n0.878839 0.871159 0.871160 Li\n0.500000 -0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n-0.000001 0.499999 0.500001 Ni\n0.499999 0.499999 0.500001 Ni\n0.265327 0.263567 0.263567 O\n0.263564 0.263340 0.709528 O\n0.263564 0.709527 0.263341 O\n0.707538 0.263567 0.263567 O\n0.292460 0.736432 0.736434 O\n0.736434 0.736659 0.290473 O\n0.736434 0.290472 0.736660 O\n0.734671 0.736432 0.736434 O\n",
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]
}