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{
"id": "jvasp-86115",
"created_at": "2022-09-04T14:36:18.758796Z",
"updated_at": "2022-09-04T14:36:18.758806Z",
"structure_string": "Ba2 Cu4 P8\n1.0\n5.296653 -0.000000 1.517277\n2.648325 5.166917 0.758639\n0.016138 -0.000000 9.947325\nBa Cu P\n2 4 8\ndirect\n0.125001 0.750000 0.750000 Ba\n0.875000 0.250000 0.250000 Ba\n0.253076 0.250000 0.493848 Cu\n0.746925 0.750000 0.506153 Cu\n0.496924 0.250000 0.006152 Cu\n0.503076 0.750000 0.993848 Cu\n0.828321 0.370147 0.858543 P\n0.313137 0.129853 0.858543 P\n0.442992 0.870147 0.358543 P\n0.557009 0.129853 0.641458 P\n0.198468 0.629853 0.358543 P\n0.686863 0.870147 0.141458 P\n0.801533 0.370147 0.641458 P\n0.171680 0.629853 0.141458 P\n",
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{
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"structure_string": "Mn2 Cd2 F10\n1.0\n5.157321 0.000178 -1.962779\n-2.165105 5.027115 -0.694730\n-0.023230 0.006829 7.757547\nMn Cd F\n2 2 10\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.705761 0.455741 0.249932 Cd\n0.294240 0.544261 0.750069 Cd\n0.333899 0.083418 0.249670 F\n0.666102 0.916583 0.750331 F\n0.569501 0.735723 0.377390 F\n0.859072 0.191822 0.123437 F\n0.752265 0.677218 0.025436 F\n0.152206 0.726596 0.474392 F\n0.247736 0.322783 0.974565 F\n0.847796 0.273405 0.525609 F\n0.140930 0.808180 0.876564 F\n0.430500 0.264278 0.622611 F\n",
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{
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"created_at": "2022-09-04T14:36:33.651699Z",
"updated_at": "2022-09-04T14:36:33.651739Z",
"structure_string": "V4 S10\n1.0\n4.168906 0.088619 -0.000042\n0.112922 5.909132 0.000563\n0.000100 -0.000751 13.875304\nV S\n4 10\ndirect\n0.038418 0.075032 0.145285 V\n0.416575 0.912706 0.345489 V\n0.498757 0.924982 0.645282 V\n0.120575 0.087288 0.845491 V\n0.536779 0.908773 0.179699 S\n-0.060896 0.082554 0.327417 S\n0.000384 0.091211 0.679697 S\n0.598026 0.917448 0.827417 S\n0.162500 0.420626 0.874416 S\n0.486493 0.584961 0.628841 S\n0.374590 0.579369 0.374425 S\n0.506519 0.057771 0.498850 S\n0.030609 0.942231 -0.001145 S\n0.050662 0.415048 0.128833 S\n",
"nsites": 14,
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"density_atomic": 0.04097473809547793,
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{
"id": "jvasp-13102",
"created_at": "2022-09-04T14:36:33.891055Z",
"updated_at": "2022-09-04T14:36:33.891070Z",
"structure_string": "Sr4 Ge2 Se8\n1.0\n6.470753 0.012054 0.000000\n-2.179577 6.092638 0.000000\n0.000000 -0.000000 10.340679\nSr Ge Se\n4 2 8\ndirect\n0.747196 0.362456 0.250000 Sr\n0.362456 0.747197 0.750000 Sr\n0.001525 0.001525 0.500000 Sr\n0.001525 0.001525 0.000000 Sr\n0.759984 0.312354 0.750000 Ge\n0.312353 0.759984 0.250000 Ge\n0.264307 0.114348 0.250000 Se\n0.114348 0.264308 0.750000 Se\n0.702065 0.835747 0.250000 Se\n0.835747 0.702066 0.750000 Se\n0.137314 0.571830 0.441324 Se\n0.571830 0.137314 0.558676 Se\n0.137314 0.571830 0.058676 Se\n0.571830 0.137314 0.941324 Se\n",
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{
"id": "jvasp-9180",
"created_at": "2022-09-04T14:36:32.280793Z",
"updated_at": "2022-09-04T14:36:32.280810Z",
"structure_string": "Si6 N8\n1.0\n3.832956 -6.638874 0.000000\n3.832956 6.638874 0.000000\n0.000000 0.000000 2.931329\nSi N\n6 8\ndirect\n0.174711 0.768689 0.250000 Si\n0.768690 0.593980 0.750000 Si\n0.406021 0.174710 0.750000 Si\n0.593980 0.825291 0.250000 Si\n0.231312 0.406021 0.250000 Si\n0.825291 0.231312 0.750000 Si\n0.333334 0.666667 0.250000 N\n0.666667 0.333334 0.750000 N\n0.330221 0.030656 0.250000 N\n0.030656 0.700433 0.750000 N\n0.299567 0.330222 0.750000 N\n0.700434 0.669779 0.250000 N\n0.669780 0.969345 0.750000 N\n0.969345 0.299568 0.250000 N\n",
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"volume": 149.18419674756186,
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{
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"created_at": "2022-09-04T14:36:15.083782Z",
"updated_at": "2022-09-04T14:36:15.083810Z",
"structure_string": "Ce6 Al4 I4\n1.0\n4.140610 0.000062 0.806313\n1.490585 9.289071 3.378778\n0.027669 0.065459 10.895128\nCe Al I\n6 4 4\ndirect\n0.191383 0.040342 0.573240 Ce\n0.464988 0.373576 0.692773 Ce\n0.246360 0.316643 0.187003 Ce\n0.747912 0.684624 0.815884 Ce\n0.529843 0.626972 0.309708 Ce\n0.803322 0.961339 0.428389 Ce\n0.924229 0.614992 0.532892 Al\n0.070974 0.387040 0.467362 Al\n0.657775 0.280960 0.399873 Al\n0.337425 0.720308 0.601167 Al\n0.861658 0.330998 0.942038 I\n0.581137 0.020719 0.813345 I\n0.132478 0.669525 0.061861 I\n0.413520 0.980310 0.189030 I\n",
"nsites": 14,
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"spacegroup": 12
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{
"id": "jvasp-12629",
"created_at": "2022-09-04T14:36:34.522451Z",
"updated_at": "2022-09-04T14:36:34.522466Z",
"structure_string": "Ba1 Sr1 Fe4 O8\n1.0\n2.754992 -4.771786 -0.000000\n2.754992 4.771786 -0.000000\n0.000000 0.000000 8.106359\nBa Sr Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.769347 Fe\n0.666667 0.333333 0.230653 Fe\n0.333333 0.666667 0.230653 Fe\n0.333333 0.666667 0.769347 Fe\n0.334596 -0.000000 0.290550 O\n0.665403 0.665403 0.290550 O\n-0.000000 0.334596 0.290550 O\n0.665403 1.000000 0.709451 O\n1.000000 0.665403 0.709451 O\n0.334596 0.334596 0.709451 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
"id": "jvasp-11149",
"created_at": "2022-09-04T14:36:34.421481Z",
"updated_at": "2022-09-04T14:36:34.421514Z",
"structure_string": "Ge6 N8\n1.0\n4.064300 -7.039574 -0.000000\n4.064300 7.039574 0.000000\n-0.000000 0.000000 3.115712\nGe N\n6 8\ndirect\n0.593687 0.829921 0.749999 Ge\n0.763766 0.593687 0.250000 Ge\n0.829921 0.236234 0.250000 Ge\n0.170079 0.763766 0.749999 Ge\n0.236234 0.406313 0.749999 Ge\n0.406313 0.170079 0.250000 Ge\n0.333333 0.666667 0.749999 N\n0.666667 0.333333 0.250000 N\n0.696021 0.669395 0.749999 N\n0.026627 0.696021 0.250000 N\n0.669395 0.973373 0.250000 N\n0.330605 0.026627 0.749999 N\n0.303979 0.330605 0.250000 N\n0.973373 0.303979 0.749999 N\n",
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{
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"created_at": "2022-09-04T14:36:22.483160Z",
"updated_at": "2022-09-04T14:36:22.483186Z",
"structure_string": "Li2 Cr3 Ni1 O8\n1.0\n5.785689 0.004027 0.002848\n2.896333 5.008541 0.002848\n2.896333 1.672199 4.721148\nLi Cr Ni O\n2 3 1 8\ndirect\n0.121207 0.121207 0.121207 Li\n0.498899 0.498899 0.498900 Li\n0.007483 0.498321 0.498321 Cr\n0.498320 0.007484 0.498321 Cr\n0.498320 0.498321 0.007484 Cr\n0.879516 0.879517 0.879518 Ni\n0.259484 0.259485 0.259485 O\n0.249611 0.249612 0.712977 O\n0.249611 0.712977 0.249612 O\n0.712976 0.249612 0.249612 O\n0.283922 0.749107 0.749108 O\n0.749106 0.283924 0.749108 O\n0.749106 0.749107 0.283924 O\n0.742424 0.742426 0.742426 O\n",
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{
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"created_at": "2022-09-04T14:36:32.061159Z",
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"structure_string": "Zn2 Cr2 F10\n1.0\n4.874527 0.100969 -1.835433\n-1.959299 4.774063 -0.713781\n-0.054825 -0.059000 7.427398\nZn Cr F\n2 2 10\ndirect\n0.269460 0.519459 0.750001 Zn\n0.730541 0.480540 0.250001 Zn\n0.000000 0.000000 0.000000 Cr\n0.500001 0.000000 0.500001 Cr\n0.346884 0.096883 0.250000 F\n0.653118 0.903116 0.750001 F\n0.548732 0.692826 0.362443 F\n0.830384 0.186290 0.137559 F\n0.769959 0.664761 0.031773 F\n0.132989 0.738186 0.468228 F\n0.230043 0.335239 0.968228 F\n0.867013 0.261814 0.531773 F\n0.169617 0.813710 0.862443 F\n0.451269 0.307173 0.637559 F\n",
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{
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"structure_string": "Li2 V2 P2 O8\n1.0\n-2.781763 4.637982 0.000000\n2.781763 0.000000 5.694044\n2.781763 4.637982 0.000000\nLi V P O\n2 2 2 8\ndirect\n0.800613 0.250000 0.800613 Li\n0.550614 0.749999 0.550613 Li\n0.436179 0.250000 0.436179 V\n0.186179 0.749999 0.186179 V\n0.123123 0.250000 0.123123 P\n0.873123 0.749999 0.873122 P\n0.784344 0.104273 0.269910 O\n0.306549 0.098330 0.154281 O\n0.752610 0.598330 0.208219 O\n0.874183 0.604273 0.680071 O\n0.154281 0.401669 0.306549 O\n0.269910 0.395727 0.784343 O\n0.680071 0.895726 0.874182 O\n0.208219 0.901669 0.752609 O\n",
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{
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"created_at": "2022-09-04T14:36:11.533041Z",
"updated_at": "2022-09-04T14:36:11.533058Z",
"structure_string": "Bi4 Pd2 O8\n1.0\n5.011678 -0.000019 2.428398\n2.505837 6.402596 1.214152\n-0.286086 -0.000051 6.976015\nBi Pd O\n4 2 8\ndirect\n0.653572 0.500000 0.160106 Bi\n0.813676 0.839893 0.500001 Bi\n0.153571 0.160107 0.500000 Bi\n0.313676 0.500002 0.839892 Bi\n0.671671 -0.000001 -0.000002 Pd\n0.171671 -0.000002 -0.000001 Pd\n0.553025 0.907278 0.302163 O\n0.960304 0.092724 0.302163 O\n0.053024 0.302164 0.907277 O\n0.762465 0.092724 0.697836 O\n0.355188 0.907277 0.697838 O\n0.855188 0.697839 0.907276 O\n0.460304 0.302163 0.092724 O\n0.262465 0.697837 0.092724 O\n",
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}
]
}