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{
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{
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{
"id": "mp-761024",
"created_at": "2022-09-04T14:42:47.030999Z",
"structure_string": "Na4 Cd4 O6\n1.0\n5.943396 0.000000 0.000000\n0.000000 6.259014 0.000000\n0.000000 2.896697 5.931587\nNa Cd O\n4 4 6\ndirect\n0.313592 0.131185 0.130385 Na\n0.186408 0.631185 0.130385 Na\n0.813592 0.368815 0.869615 Na\n0.686408 0.868815 0.869615 Na\n0.648549 0.422692 0.336656 Cd\n0.148549 0.077308 0.663344 Cd\n0.851451 0.922692 0.336656 Cd\n0.351451 0.577308 0.663344 Cd\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.983682 0.275373 0.326114 O\n0.483682 0.224627 0.673886 O\n0.516318 0.775373 0.326114 O\n0.016318 0.724627 0.673886 O\n",
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"formula_full": "Na4 Cd4 O6",
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{
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"structure_string": "Li2 Sn8 P6 O24\n1.0\n4.847432 -8.395998 0.000000\n4.847432 8.395998 0.000000\n0.000000 0.000000 7.105627\nLi Sn P O\n2 8 6 24\ndirect\n0.666667 0.333333 0.536927 Li\n0.333333 0.666667 0.036927 Li\n0.259156 0.241669 0.246803 Sn\n0.740844 0.758331 0.746803 Sn\n0.333333 0.666667 0.470879 Sn\n0.017486 0.259156 0.746803 Sn\n0.666667 0.333333 0.970879 Sn\n0.241669 0.982514 0.746803 Sn\n0.982514 0.740844 0.246803 Sn\n0.758331 0.017486 0.246803 Sn\n0.385435 0.402441 0.750985 P\n0.982993 0.385435 0.250985 P\n0.614565 0.597559 0.250985 P\n0.597559 0.982993 0.750985 P\n0.017007 0.614565 0.750985 P\n0.402441 0.017007 0.250985 P\n0.507754 0.673868 0.236442 O\n0.344049 0.071830 0.424718 O\n0.271579 0.357433 0.576819 O\n0.655951 0.928170 0.924718 O\n0.728421 0.642567 0.076819 O\n0.509866 0.411420 0.261619 O\n0.928170 0.272219 0.424718 O\n0.085854 0.728421 0.576819 O\n0.914146 0.271579 0.076819 O\n0.166115 0.492246 0.236442 O\n0.326132 0.833885 0.236442 O\n0.588580 0.098446 0.261619 O\n0.901554 0.490134 0.261619 O\n0.071830 0.727781 0.924718 O\n0.727781 0.655951 0.424718 O\n0.833885 0.507754 0.736442 O\n0.357433 0.085854 0.076819 O\n0.490134 0.588580 0.761619 O\n0.673868 0.166115 0.736442 O\n0.098446 0.509866 0.761619 O\n0.492246 0.326132 0.736442 O\n0.642567 0.914146 0.576819 O\n0.411420 0.901554 0.761619 O\n0.272219 0.344049 0.924718 O\n",
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"formula_full": "Li2 Sn8 P6 O24",
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"spacegroup": 173
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{
"id": "mp-1080328",
"created_at": "2022-09-04T14:47:05.762119Z",
"structure_string": "Ce2 Se4\n1.0\n4.395481 0.000000 0.000000\n0.000000 6.469704 0.000000\n0.000000 0.000000 6.648810\nCe Se\n2 4\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.758232 0.143293 Se\n0.500000 0.241768 0.856707 Se\n0.000000 0.258232 0.356707 Se\n0.000000 0.741768 0.643293 Se\n",
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{
"id": "mp-1183804",
"created_at": "2022-09-04T14:47:10.189032Z",
"structure_string": "Dy1 Er1 Tl2\n1.0\n0.000000 3.795726 3.795726\n3.795726 0.000000 3.795726\n3.795726 3.795726 0.000000\nDy Er Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Er\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
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"formula_full": "Dy1 Er1 Tl2",
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{
"id": "mp-1275135",
"created_at": "2022-09-04T14:46:35.136398Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.186576 2.293034 4.024449\n-2.184248 6.881232 -4.024403\n-3.878739 0.000904 4.134470\nLi Mn O F\n8 4 8 4\ndirect\n0.978153 0.332107 0.088615 Li\n0.477808 0.832050 0.088557 Li\n0.991204 0.345276 0.588392 Li\n0.490593 0.844842 0.588735 Li\n0.508912 0.154816 0.411339 Li\n0.009353 0.655112 0.411312 Li\n0.521993 0.167917 0.911389 Li\n0.022015 0.667915 0.911208 Li\n0.999130 0.999519 0.750203 Mn\n0.501040 0.500585 0.249875 Mn\n0.499536 0.499239 0.750006 Mn\n0.000528 0.000588 0.250222 Mn\n0.731909 0.426771 0.422910 O\n0.231550 0.926644 0.423041 O\n0.725971 0.420841 0.922744 O\n0.225628 0.920780 0.923046 O\n0.774091 0.079241 0.077261 O\n0.274245 0.579146 0.077107 O\n0.768064 0.073259 0.577259 O\n0.268380 0.573356 0.576972 O\n0.249921 0.249963 0.749933 F\n0.749819 0.749961 0.750014 F\n0.250119 0.250036 0.249940 F\n0.750038 0.750036 0.249920 F\n",
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{
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"structure_string": "Fe2 Pt2 O4\n1.0\n-0.755741 1.348176 2.562012\n0.753213 -4.448394 2.566279\n5.651619 3.027506 0.072297\nFe Pt O\n2 2 4\ndirect\n0.500000 0.000000 0.500000 Fe\n0.999999 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.999848 0.110808 0.329010 O\n0.499848 0.610816 0.329012 O\n0.000153 0.889192 0.670990 O\n0.500153 0.389184 0.670988 O\n",
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{
"id": "mp-757781",
"created_at": "2022-09-04T14:41:35.699507Z",
"structure_string": "Li4 Si8 Bi12 O36\n1.0\n10.726271 0.000000 0.000000\n0.000000 7.647219 0.000000\n0.000000 0.081854 10.724962\nLi Si Bi O\n4 8 12 36\ndirect\n0.460279 0.125977 0.645679 Li\n0.039721 0.125977 0.145679 Li\n0.960279 0.874023 0.854321 Li\n0.539721 0.874023 0.354321 Li\n0.127752 0.175175 0.695700 Si\n0.372248 0.175175 0.195700 Si\n0.627808 0.395465 0.810443 Si\n0.872192 0.395465 0.310443 Si\n0.127808 0.604535 0.689557 Si\n0.372192 0.604535 0.189557 Si\n0.627752 0.824825 0.804300 Si\n0.872248 0.824825 0.304300 Si\n0.802351 0.118648 0.590720 Bi\n0.697649 0.118648 0.090720 Bi\n0.935886 0.335245 0.897875 Bi\n0.299434 0.365617 0.909301 Bi\n0.564114 0.335245 0.397875 Bi\n0.200566 0.365617 0.409301 Bi\n0.799434 0.634383 0.590699 Bi\n0.435886 0.664755 0.602125 Bi\n0.700566 0.634383 0.090699 Bi\n0.064114 0.664755 0.102125 Bi\n0.302351 0.881352 0.909280 Bi\n0.197649 0.881352 0.409280 Bi\n0.996750 0.110600 0.759406 O\n0.503250 0.110600 0.259406 O\n0.615657 0.123168 0.519966 O\n0.251261 0.104750 0.772000 O\n0.884343 0.123168 0.019966 O\n0.248739 0.104750 0.272000 O\n0.134952 0.149792 0.544096 O\n0.365048 0.149792 0.044096 O\n0.495808 0.313611 0.773707 O\n0.004192 0.313611 0.273707 O\n0.386463 0.357697 0.497927 O\n0.748709 0.328756 0.726674 O\n0.113537 0.357697 0.997927 O\n0.751291 0.328756 0.226674 O\n0.665023 0.384737 0.960193 O\n0.130730 0.389509 0.723716 O\n0.834977 0.384737 0.460193 O\n0.369270 0.389509 0.223716 O\n0.630730 0.610491 0.776284 O\n0.165023 0.615263 0.539807 O\n0.869270 0.610491 0.276284 O\n0.334977 0.615263 0.039807 O\n0.248709 0.671244 0.773326 O\n0.886463 0.642303 0.002073 O\n0.251291 0.671244 0.273326 O\n0.613537 0.642303 0.502073 O\n0.995808 0.686389 0.726293 O\n0.504192 0.686389 0.226293 O\n0.634952 0.850208 0.955904 O\n0.865048 0.850208 0.455904 O\n0.751261 0.895250 0.728000 O\n0.115657 0.876832 0.980034 O\n0.748739 0.895250 0.228000 O\n0.384343 0.876832 0.480034 O\n0.496750 0.889400 0.740594 O\n0.003250 0.889400 0.240594 O\n",
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{
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"structure_string": "Li16 Fe2 O8 F4\n1.0\n2.746522 -4.922301 -0.088559\n2.552021 1.629316 5.201217\n-5.556735 -3.222470 5.433493\nLi Fe O F\n16 2 8 4\ndirect\n0.353205 0.230954 0.116728 Li\n0.853136 0.730864 0.616835 Li\n0.646788 0.769067 0.883263 Li\n0.146919 0.269187 0.383142 Li\n0.163105 0.594609 0.049391 Li\n0.663051 0.094561 0.549396 Li\n0.836915 0.405399 0.950607 Li\n0.336961 0.905401 0.450572 Li\n0.696038 0.431934 0.207310 Li\n0.195940 0.931957 0.707449 Li\n0.303921 0.568097 0.792709 Li\n0.804065 0.068041 0.292543 Li\n0.449270 0.157941 0.862308 Li\n0.949227 0.658005 0.362264 Li\n0.550717 0.842042 0.137694 Li\n0.050765 0.341997 0.637712 Li\n0.500079 0.499972 0.500172 Fe\n0.999884 0.000004 0.999914 Fe\n0.156558 0.311341 0.928500 O\n0.656685 0.811314 0.428574 O\n0.843432 0.688653 0.071474 O\n0.343329 0.188635 0.571473 O\n0.668250 0.162567 0.083220 O\n0.168209 0.662548 0.583273 O\n0.331759 0.837442 0.916755 O\n0.831808 0.337442 0.416760 O\n0.350405 0.484197 0.235109 F\n0.849855 0.984522 0.735373 F\n0.649587 0.515808 0.764879 F\n0.150135 0.015493 0.264602 F\n",
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},
{
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"structure_string": "Na3 Mg1 P2 H1 O8\n1.0\n5.224445 0.000000 0.000000\n-2.448807 4.683330 0.000000\n-0.209587 -0.167641 6.890019\nNa Mg P H O\n3 1 2 1 8\ndirect\n0.663803 0.300030 0.791349 Na\n0.336197 0.699970 0.208651 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n0.661138 0.353350 0.244138 P\n0.338862 0.646650 0.755862 P\n0.000000 0.500000 0.500000 H\n0.787198 0.214974 0.104934 O\n0.212802 0.785026 0.895066 O\n0.787355 0.678246 0.208569 O\n0.212645 0.321754 0.791431 O\n0.755152 0.318904 0.459321 O\n0.244848 0.681096 0.540679 O\n0.672648 0.796120 0.774089 O\n0.327352 0.203880 0.225911 O\n",
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],
"chemical_system": "H-Mg-Na-O-P",
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"updated_at": "2021-11-28T01:35:16.883000Z",
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},
{
"id": "mp-1027954",
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"structure_string": "Mg14 Zn1 B1\n1.0\n6.202769 -0.055073 0.000000\n-3.149079 5.454364 0.000000\n0.000000 0.000000 10.034229\nMg Zn B\n14 1 1\ndirect\n0.173046 0.336522 0.625000 Mg\n0.170636 0.835317 0.625000 Mg\n0.726293 0.369829 0.125000 Mg\n0.661349 0.331431 0.625000 Mg\n0.726293 0.856463 0.125000 Mg\n0.661349 0.829917 0.625000 Mg\n0.317359 0.150707 0.342581 Mg\n0.317359 0.150707 0.907419 Mg\n0.317359 0.666653 0.342581 Mg\n0.317359 0.666653 0.907419 Mg\n0.831837 0.165919 0.377287 Mg\n0.831837 0.165919 0.872713 Mg\n0.831095 0.665548 0.373365 Mg\n0.831095 0.665548 0.876635 Mg\n0.170611 0.335305 0.125000 Zn\n0.115126 0.807563 0.125000 B\n",
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"updated_at": "2021-11-28T01:35:08.999000Z",
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}
]
}