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{
"id": "jvasp-58180",
"created_at": "2022-09-04T14:37:05.378375Z",
"updated_at": "2022-09-04T14:37:05.378407Z",
"structure_string": "Zn4 Co2 Ir2 O12\n1.0\n0.000000 5.105404 0.011847\n5.126065 0.000000 0.000000\n0.000000 -5.087490 -7.544217\nZn Co Ir O\n4 2 2 12\ndirect\n0.241795 0.032555 0.249758 Zn\n0.758204 0.532555 0.250241 Zn\n0.241795 0.467446 0.749759 Zn\n0.758204 0.967446 0.750242 Zn\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Ir\n0.499999 0.000000 -0.000000 Ir\n0.766287 0.183992 0.936326 O\n0.617797 0.671319 0.936349 O\n0.233712 0.683993 0.563674 O\n0.869693 0.915491 0.254276 O\n0.130306 0.084510 0.745724 O\n0.233712 0.816009 0.063674 O\n0.382202 0.328682 0.063651 O\n0.617797 0.828683 0.436348 O\n0.382202 0.171318 0.563652 O\n0.869693 0.584510 0.754277 O\n0.766287 0.316008 0.436326 O\n0.130306 0.415491 0.245723 O\n",
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{
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"structure_string": "Sc8 S12\n1.0\n6.261234 0.006332 -1.173503\n-2.350894 5.803136 -1.173503\n0.001975 0.002933 11.631551\nSc S\n8 12\ndirect\n0.127254 0.377254 0.754508 Sc\n0.872746 0.622746 0.245492 Sc\n0.377254 0.127254 0.254508 Sc\n0.791315 0.041316 0.082631 Sc\n0.958683 0.208684 0.417369 Sc\n0.208684 0.958684 0.917369 Sc\n0.041316 0.791316 0.582631 Sc\n0.622746 0.872746 0.745492 Sc\n0.540354 0.283626 0.087702 S\n0.195925 0.952653 0.412298 S\n0.882500 0.632501 0.750000 S\n0.459645 0.716374 0.912298 S\n0.804074 0.047347 0.587702 S\n0.283625 0.540354 0.587702 S\n0.952651 0.195924 0.912298 S\n0.632501 0.882501 0.250000 S\n0.117499 0.367499 0.250000 S\n0.367498 0.117498 0.750000 S\n0.047348 0.804076 0.087702 S\n0.716374 0.459646 0.412298 S\n",
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{
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"updated_at": "2022-09-04T14:37:03.170048Z",
"structure_string": "Na4 Zn4 F12\n1.0\n5.419848 -0.000000 0.000000\n0.000000 5.647832 0.000000\n0.000000 0.000000 7.808711\nNa Zn F\n4 4 12\ndirect\n0.017744 0.938298 0.750000 Na\n0.517744 0.561701 0.250000 Na\n0.482257 0.438298 0.750000 Na\n0.982257 0.061701 0.250000 Na\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.612300 0.042114 0.750000 F\n0.112300 0.457886 0.250000 F\n0.693385 0.301703 0.058507 F\n0.193384 0.198297 0.941493 F\n0.806616 0.801702 0.441493 F\n0.193384 0.198297 0.558507 F\n0.306616 0.698297 0.941493 F\n0.806616 0.801702 0.058507 F\n0.387700 0.957886 0.250000 F\n0.693385 0.301703 0.441493 F\n0.306616 0.698297 0.558507 F\n0.887700 0.542114 0.750000 F\n",
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{
"id": "jvasp-48591",
"created_at": "2022-09-04T14:37:03.122591Z",
"updated_at": "2022-09-04T14:37:03.122616Z",
"structure_string": "Li4 Ni4 O4 F8\n1.0\n0.000000 4.887302 0.008049\n4.845479 0.000000 0.000000\n0.000000 -4.636660 -8.204209\nLi Ni O F\n4 4 4 8\ndirect\n0.274503 0.969077 0.242251 Li\n0.725497 0.469077 0.257749 Li\n0.274503 0.530923 0.742251 Li\n0.725497 0.030923 0.757749 Li\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.935726 0.107180 0.037944 O\n0.064274 0.607180 0.462056 O\n0.935726 0.392820 0.537944 O\n0.064274 0.892820 0.962056 O\n0.638449 0.410694 0.741220 F\n0.733028 0.857970 0.587799 F\n0.266972 0.357970 0.912201 F\n0.361550 0.910694 0.758780 F\n0.638449 0.089306 0.241220 F\n0.733028 0.642031 0.087799 F\n0.266972 0.142031 0.412201 F\n0.361550 0.589306 0.258780 F\n",
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{
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"created_at": "2022-09-04T14:37:03.151187Z",
"updated_at": "2022-09-04T14:37:03.151217Z",
"structure_string": "Mn12 Si4 Ir4\n1.0\n6.350925 0.000000 0.000000\n0.000000 6.350925 0.000000\n-0.000000 -0.000000 6.350925\nMn Si Ir\n12 4 4\ndirect\n0.549415 0.630461 0.289289 Mn\n0.950586 0.369540 0.789289 Mn\n0.210711 0.450585 0.130461 Mn\n0.289289 0.549415 0.630461 Mn\n0.369540 0.789289 0.950586 Mn\n0.130461 0.210711 0.450585 Mn\n0.450585 0.130461 0.210711 Mn\n0.710712 0.049415 0.869540 Mn\n0.869540 0.710712 0.049415 Mn\n0.049415 0.869540 0.710712 Mn\n0.789289 0.950586 0.369540 Mn\n0.630461 0.289289 0.549415 Mn\n0.942471 0.557530 0.442471 Si\n0.557530 0.442471 0.942471 Si\n0.442471 0.942471 0.557530 Si\n0.057530 0.057530 0.057530 Si\n0.812463 0.312462 0.187538 Ir\n0.312462 0.187538 0.812463 Ir\n0.187538 0.812463 0.312462 Ir\n0.687539 0.687539 0.687539 Ir\n",
"nsites": 20,
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},
{
"id": "jvasp-21188",
"created_at": "2022-09-04T14:36:51.518363Z",
"updated_at": "2022-09-04T14:36:51.518390Z",
"structure_string": "Ca4 Fe2 Ir2 O12\n1.0\n0.000000 5.304436 0.000064\n5.498936 0.000000 0.000000\n0.000000 -5.299505 -7.577540\nCa Fe Ir O\n4 2 2 12\ndirect\n0.265262 0.060105 0.249626 Ca\n0.734740 0.560105 0.250375 Ca\n0.265262 0.439896 0.749626 Ca\n0.734740 0.939896 0.750375 Ca\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500001 0.500000 0.500000 Ir\n0.500001 0.000000 0.000000 Ir\n0.760447 0.208069 0.950982 O\n0.654943 0.694763 0.952775 O\n0.239556 0.708069 0.549018 O\n0.851789 0.975822 0.256917 O\n0.148214 0.024179 0.743084 O\n0.239555 0.791932 0.049018 O\n0.345060 0.305238 0.047226 O\n0.654942 0.805238 0.452775 O\n0.345060 0.194763 0.547226 O\n0.851789 0.524179 0.756917 O\n0.760446 0.291931 0.450982 O\n0.148213 0.475822 0.243084 O\n",
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"formula_full": "Ca4 Fe2 Ir2 O12",
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},
{
"id": "jvasp-29505",
"created_at": "2022-09-04T14:36:43.481133Z",
"updated_at": "2022-09-04T14:36:43.481155Z",
"structure_string": "Tl4 Sb4 O12\n1.0\n5.411174 0.000000 -0.000000\n-2.705587 4.686215 0.000000\n-0.000000 0.000000 14.143756\nTl Sb O\n4 4 12\ndirect\n0.666666 0.333333 0.062899 Tl\n0.666666 0.333333 0.437101 Tl\n0.333332 0.666666 0.562899 Tl\n0.333332 0.666666 0.937101 Tl\n0.333332 0.666666 0.250000 Sb\n0.000000 0.000000 0.250000 Sb\n0.666666 0.333333 0.750000 Sb\n0.000000 0.000000 0.750000 Sb\n0.283469 0.950151 0.170264 O\n0.716529 0.666683 0.829736 O\n0.716529 0.049848 0.670264 O\n0.333316 0.283470 0.670264 O\n0.049847 0.716529 0.329736 O\n0.950151 0.283470 0.829736 O\n0.666682 0.716529 0.170264 O\n0.950151 0.666683 0.670264 O\n0.283469 0.333316 0.329736 O\n0.333316 0.049848 0.829736 O\n0.049847 0.333316 0.170264 O\n0.666682 0.950151 0.329736 O\n",
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{
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"created_at": "2022-09-04T14:36:57.772409Z",
"updated_at": "2022-09-04T14:36:57.772428Z",
"structure_string": "Mg4 Co2 Ir2 O12\n1.0\n0.000000 5.009023 -0.012676\n5.221638 0.000000 0.000000\n0.000000 -4.975838 -7.375846\nMg Co Ir O\n4 2 2 12\ndirect\n0.235813 0.936769 0.247384 Mg\n0.764187 0.436769 0.252616 Mg\n0.235813 0.563231 0.747385 Mg\n0.764187 0.063231 0.752617 Mg\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500001 Ir\n0.500000 0.000000 0.000000 Ir\n0.104294 0.809430 0.931391 O\n0.244303 0.321013 0.929406 O\n0.895707 0.309429 0.568611 O\n0.621135 0.070121 0.255131 O\n0.378865 0.929879 0.744870 O\n0.895707 0.190571 0.068610 O\n0.755697 0.678987 0.070595 O\n0.244303 0.178987 0.429406 O\n0.755697 0.821013 0.570596 O\n0.621135 0.429879 0.755132 O\n0.104293 0.690571 0.431390 O\n0.378865 0.570121 0.244870 O\n",
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{
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"created_at": "2022-09-04T14:36:51.340393Z",
"updated_at": "2022-09-04T14:36:51.340409Z",
"structure_string": "Y8 S8 O4\n1.0\n0.000000 6.867673 0.016763\n6.898792 0.000000 0.000000\n0.000000 -1.362777 -8.157695\nY S O\n8 8 4\ndirect\n0.249499 0.054735 0.137591 Y\n0.250500 0.554734 0.862408 Y\n0.750500 0.945265 0.862409 Y\n0.749499 0.445265 0.137591 Y\n0.320756 0.144092 0.576139 Y\n0.179244 0.644091 0.423860 Y\n0.679243 0.855908 0.423861 Y\n0.820756 0.355908 0.576139 Y\n0.924100 0.133067 0.318897 S\n0.530374 0.777299 0.076328 S\n0.969625 0.277299 0.923672 S\n0.469625 0.222701 0.923672 S\n0.575899 0.633066 0.681103 S\n0.424100 0.366933 0.318896 S\n0.030374 0.722701 0.076328 S\n0.075899 0.866933 0.681103 S\n0.350343 0.912679 0.383185 O\n0.649656 0.087320 0.616814 O\n0.149656 0.412680 0.616814 O\n0.850343 0.587320 0.383186 O\n",
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{
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"created_at": "2022-09-04T14:36:53.437269Z",
"updated_at": "2022-09-04T14:36:53.437304Z",
"structure_string": "Nd1 Fe3 B4 O12\n1.0\n5.792410 -0.038878 -1.457876\n-1.861238 5.485373 -1.457876\n-0.028062 -0.038878 5.972991\nNd Fe B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n-0.000000 0.561135 0.438864 Fe\n0.438865 -0.000000 0.561135 Fe\n0.561135 0.438865 -0.000001 Fe\n0.063264 0.499999 0.936735 B\n0.500000 0.499999 0.499999 B\n0.936736 0.063264 0.499999 B\n0.500000 0.936735 0.063263 B\n0.774771 0.030361 0.624563 O\n0.624563 0.774770 0.030360 O\n0.030361 0.624563 0.774770 O\n0.352277 0.647722 0.499999 O\n0.647722 0.499999 0.352276 O\n0.085260 0.914739 0.499999 O\n0.500000 0.085260 0.914739 O\n0.914740 0.499999 0.085259 O\n0.969638 0.225229 0.375436 O\n0.375436 0.969638 0.225228 O\n0.225229 0.375436 0.969638 O\n0.500000 0.352277 0.647722 O\n",
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{
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"created_at": "2022-09-04T14:36:59.201632Z",
"updated_at": "2022-09-04T14:36:59.201648Z",
"structure_string": "K4 Si4 H12\n1.0\n5.322809 0.000000 0.000000\n-0.000000 6.802914 0.000000\n0.000000 0.000000 8.753094\nK Si H\n4 4 12\ndirect\n0.250000 0.346356 0.687110 K\n0.750000 0.653644 0.312889 K\n0.750000 0.846356 0.812889 K\n0.250000 0.153644 0.187111 K\n0.250000 0.846987 0.547229 Si\n0.750000 0.153013 0.452770 Si\n0.750000 0.346987 0.952770 Si\n0.250000 0.653013 0.047229 Si\n0.750000 0.303217 0.126651 H\n0.250000 0.696782 0.873349 H\n0.462436 0.805954 0.080452 H\n0.962436 0.194045 0.919547 H\n0.537564 0.305955 0.419547 H\n0.462436 0.694045 0.580452 H\n0.537564 0.194045 0.919547 H\n0.037564 0.805954 0.080452 H\n0.750000 0.196782 0.626651 H\n0.962436 0.305955 0.419547 H\n0.037564 0.694045 0.580452 H\n0.250000 0.803217 0.373349 H\n",
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{
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"created_at": "2022-09-04T14:36:51.489999Z",
"updated_at": "2022-09-04T14:36:51.490012Z",
"structure_string": "Sr4 P4 S12\n1.0\n0.000000 6.684582 0.008852\n7.579378 0.000000 0.000000\n0.000000 -6.387342 -9.434799\nSr P S\n4 4 12\ndirect\n0.708493 0.611762 0.749674 Sr\n0.291507 0.111761 0.750326 Sr\n0.291507 0.388239 0.250326 Sr\n0.708493 0.888239 0.249674 Sr\n0.370744 0.608818 0.933869 P\n0.629257 0.108818 0.566131 P\n0.629256 0.391182 0.066131 P\n0.370744 0.891182 0.433869 P\n0.782594 0.308222 0.963081 S\n0.217406 0.808222 0.536920 S\n0.137746 0.504111 0.738427 S\n0.862254 0.004111 0.761573 S\n0.862254 0.495889 0.261573 S\n0.405512 0.199643 0.057034 S\n0.594488 0.800357 0.942967 S\n0.405512 0.300357 0.557034 S\n0.782594 0.191778 0.463081 S\n0.594488 0.699643 0.442967 S\n0.137746 0.995889 0.238427 S\n0.217406 0.691778 0.036919 S\n",
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}
]
}