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{
"id": "mp-1079584",
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{
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{
"id": "mp-28821",
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"structure_string": "La4 Ni24 P10\n1.0\n3.687503 0.000000 0.000000\n0.000000 10.926315 0.000000\n0.000000 4.029431 12.519749\nLa Ni P\n4 24 10\ndirect\n0.250000 0.747386 0.187951 La\n0.750000 0.252614 0.812049 La\n0.250000 0.778941 0.683253 La\n0.750000 0.221059 0.316747 La\n0.250000 0.572059 0.014461 Ni\n0.250000 0.565718 0.448325 Ni\n0.750000 0.506316 0.341014 Ni\n0.250000 0.493684 0.658986 Ni\n0.750000 0.510795 0.150849 Ni\n0.250000 0.489205 0.849151 Ni\n0.750000 0.434282 0.551675 Ni\n0.250000 0.344098 0.135196 Ni\n0.750000 0.656660 0.561540 Ni\n0.250000 0.343340 0.438460 Ni\n0.750000 0.905465 0.304964 Ni\n0.250000 0.094535 0.695036 Ni\n0.750000 0.919063 0.990311 Ni\n0.250000 0.080937 0.009689 Ni\n0.750000 0.921605 0.490304 Ni\n0.250000 0.078395 0.509696 Ni\n0.750000 0.939439 0.796386 Ni\n0.250000 0.060561 0.203614 Ni\n0.250000 0.786732 0.438053 Ni\n0.750000 0.213268 0.561947 Ni\n0.250000 0.798613 0.918471 Ni\n0.750000 0.201387 0.081529 Ni\n0.750000 0.655902 0.864804 Ni\n0.750000 0.427941 0.985539 Ni\n0.250000 0.007391 0.871380 P\n0.750000 0.992609 0.128620 P\n0.250000 0.300061 0.983869 P\n0.750000 0.699939 0.016131 P\n0.250000 0.451675 0.259406 P\n0.750000 0.548325 0.740594 P\n0.250000 0.991891 0.378770 P\n0.750000 0.008109 0.621230 P\n0.250000 0.311327 0.611954 P\n0.750000 0.688673 0.388046 P\n",
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"formula_full": "La4 Ni24 P10",
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},
{
"id": "mp-1221721",
"created_at": "2022-09-04T14:48:14.414144Z",
"structure_string": "Mn1 Zn1 In4 S8\n1.0\n1.952445 12.629867 0.000000\n-1.952445 12.629867 0.000000\n0.000000 0.597492 6.750938\nMn Zn In S\n1 1 4 8\ndirect\n0.239347 0.239347 0.924945 Mn\n0.091190 0.091190 0.308848 Zn\n0.890745 0.890745 0.037262 In\n0.391736 0.391736 0.535503 In\n0.737538 0.737538 0.416199 In\n0.591107 0.591107 0.796998 In\n0.557286 0.557286 0.467104 S\n0.055438 0.055438 0.994559 S\n0.691431 0.691431 0.778620 S\n0.186749 0.186749 0.263763 S\n0.935198 0.935198 0.354448 S\n0.434770 0.434770 0.855341 S\n0.793769 0.793769 0.060059 S\n0.294693 0.294693 0.576018 S\n",
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"formula_full": "Mn1 Zn1 In4 S8",
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"spacegroup": 8
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{
"id": "mp-1228081",
"created_at": "2022-09-04T14:48:14.415529Z",
"structure_string": "Ba2 Hg2 Pb2\n1.0\n2.732786 6.162765 0.000000\n-2.732786 6.162765 0.000000\n0.000000 5.964972 6.187537\nBa Hg Pb\n2 2 2\ndirect\n0.464797 0.464797 0.286456 Ba\n0.535203 0.535203 0.713544 Ba\n0.839277 0.839277 0.711583 Hg\n0.160723 0.160723 0.288417 Hg\n0.164558 0.164558 0.893096 Pb\n0.835442 0.835442 0.106904 Pb\n",
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{
"id": "mp-6931",
"created_at": "2022-09-04T14:48:14.420615Z",
"structure_string": "Sr1 Al2 Si2\n1.0\n2.103165 -3.642789 0.000000\n2.103165 3.642789 0.000000\n0.000000 0.000000 7.447889\nSr Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.374221 Al\n0.333333 0.666667 0.625779 Al\n0.666667 0.333333 0.723698 Si\n0.333333 0.666667 0.276302 Si\n",
"nsites": 5,
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],
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},
{
"id": "mp-1517741",
"created_at": "2022-09-04T14:48:14.422553Z",
"structure_string": "Ba1 Dy1 Cr4 O12\n1.0\n5.473214 0.000000 0.000000\n0.000000 5.473214 -0.000000\n0.000000 -0.000000 7.442250\nBa Dy Cr O\n1 1 4 12\ndirect\n0.500000 0.500000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Dy\n-0.000000 0.500000 0.748466 Cr\n-0.000000 0.500000 0.251534 Cr\n0.500000 -0.000000 0.748466 Cr\n0.500000 0.000000 0.251534 Cr\n0.236330 0.236330 0.731017 O\n0.236330 0.236330 0.268983 O\n0.763670 0.763670 0.268983 O\n0.763670 0.763670 0.731017 O\n0.763670 0.236330 0.731017 O\n0.763670 0.236330 0.268983 O\n0.236330 0.763670 0.268983 O\n0.236330 0.763670 0.731017 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
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"structure_string": "Tl6 Te1 O12\n1.0\n4.300053 -4.924339 0.000000\n4.300053 4.924339 0.000000\n-1.339207 0.000000 6.398913\nTl Te O\n6 1 12\ndirect\n0.392467 0.695779 0.864312 Tl\n0.864312 0.392467 0.695779 Tl\n0.695779 0.864312 0.392467 Tl\n0.607533 0.304221 0.135688 Tl\n0.135688 0.607533 0.304221 Tl\n0.304221 0.135688 0.607533 Tl\n0.000000 0.000000 0.000000 Te\n0.174919 0.423003 0.601027 O\n0.601027 0.174919 0.423003 O\n0.423003 0.601027 0.174919 O\n0.825081 0.576997 0.398973 O\n0.398973 0.825081 0.576997 O\n0.576997 0.398973 0.825081 O\n0.928072 0.033881 0.705112 O\n0.966119 0.294888 0.071928 O\n0.294888 0.071928 0.966119 O\n0.071928 0.966119 0.294888 O\n0.033881 0.705112 0.928072 O\n0.705112 0.928072 0.033881 O\n",
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{
"id": "mp-1177599",
"created_at": "2022-09-04T14:48:14.411160Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.504272 0.000000 0.000000\n-0.124447 8.896229 0.000000\n-0.411839 -0.136256 12.269822\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.999097 0.998744 0.998735 Li\n0.986515 0.894798 0.251962 Li\n0.995841 0.998713 0.504532 Li\n0.004769 0.103803 0.745083 Li\n0.709385 0.192144 0.049673 Li\n0.714986 0.807960 0.547193 Li\n0.494866 0.495786 0.999072 Li\n0.496967 0.602301 0.251444 Li\n0.493654 0.504523 0.501908 Li\n0.496658 0.399443 0.754277 Li\n0.289029 0.194425 0.452116 Li\n0.283765 0.804654 0.942159 Li\n0.710510 0.009471 0.357476 Mn\n0.289057 0.996994 0.641473 Mn\n0.210762 0.495858 0.353413 Mn\n0.211301 0.502311 0.853413 Mn\n0.784814 0.499366 0.144273 V\n0.787125 0.501842 0.644102 V\n0.715463 0.994426 0.857484 V\n0.282324 0.000785 0.142015 V\n0.994985 0.198478 0.249220 P\n0.001263 0.803000 0.749362 P\n0.851959 0.642928 0.395362 P\n0.846213 0.355079 0.894507 P\n0.650246 0.851544 0.104217 P\n0.650333 0.148914 0.602162 P\n0.493938 0.296714 0.248719 P\n0.497723 0.704139 0.748257 P\n0.355529 0.855068 0.399048 P\n0.353318 0.142667 0.896103 P\n0.157095 0.643501 0.104732 P\n0.155289 0.358257 0.605437 P\n0.989597 0.584783 0.107741 O\n0.991854 0.423662 0.608002 O\n0.920494 0.091000 0.335851 O\n0.930527 0.914976 0.834171 O\n0.872745 0.294181 0.188117 O\n0.873560 0.705251 0.690431 O\n0.868389 0.816656 0.409756 O\n0.853387 0.180202 0.909237 O\n0.755814 0.594653 0.291402 O\n0.748328 0.937121 0.018664 O\n0.751616 0.589646 0.492004 O\n0.752397 0.403901 0.791788 O\n0.749715 0.059776 0.518341 O\n0.728634 0.901584 0.214743 O\n0.749103 0.409546 0.992634 O\n0.721491 0.098126 0.712505 O\n0.653743 0.678008 0.089443 O\n0.660570 0.321205 0.586849 O\n0.611447 0.207457 0.316441 O\n0.621369 0.799632 0.811081 O\n0.565965 0.404032 0.163215 O\n0.568111 0.591716 0.664614 O\n0.533291 0.898249 0.409818 O\n0.526257 0.092614 0.908579 O\n0.474498 0.892471 0.094942 O\n0.472099 0.113305 0.588577 O\n0.418058 0.405660 0.335069 O\n0.423497 0.602108 0.838840 O\n0.377398 0.195601 0.184952 O\n0.381421 0.799238 0.685102 O\n0.355297 0.683640 0.412616 O\n0.359975 0.314477 0.909570 O\n0.276884 0.907865 0.291348 O\n0.253163 0.587981 0.006000 O\n0.274753 0.092249 0.784660 O\n0.257946 0.942725 0.485667 O\n0.254023 0.599725 0.207747 O\n0.257986 0.411271 0.509864 O\n0.251281 0.057707 0.980249 O\n0.251725 0.402979 0.710997 O\n0.146108 0.818254 0.090090 O\n0.135925 0.184637 0.590582 O\n0.123394 0.285061 0.314397 O\n0.127332 0.717596 0.812868 O\n0.062319 0.085908 0.163738 O\n0.065748 0.910917 0.659848 O\n0.019185 0.581407 0.393676 O\n0.016807 0.410605 0.894243 O\n",
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"formula_full": "Li12 Mn4 V4 P12 O48",
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{
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"structure_string": "Mg2 Ni1 Ir1\n1.0\n0.000000 3.075086 3.075086\n3.075086 0.000000 3.075086\n3.075086 3.075086 0.000000\nMg Ni Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ir\n",
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{
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"formula_full": "Ba10 Co8 Pt2 Cl2 O26",
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{
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"structure_string": "K1 Mg14 B1 O15\n1.0\n4.493242 0.000000 0.000000\n0.000000 8.490239 0.000000\n0.000000 0.000000 8.623297\nK Mg B O\n1 14 1 15\ndirect\n0.000000 0.964708 0.000000 K\n0.000000 0.006368 0.500000 Mg\n0.000000 0.512393 0.000000 Mg\n0.500000 0.004147 0.250927 Mg\n0.500000 0.004147 0.749073 Mg\n0.500000 0.499417 0.269545 Mg\n0.500000 0.499417 0.730455 Mg\n0.500000 0.741616 0.000000 Mg\n0.500000 0.751282 0.500000 Mg\n0.500000 0.252157 0.000000 Mg\n0.500000 0.250925 0.500000 Mg\n0.000000 0.748533 0.278543 Mg\n0.000000 0.748533 0.721457 Mg\n0.000000 0.244938 0.242325 Mg\n0.000000 0.244938 0.757675 Mg\n0.000000 0.438545 0.500000 B\n0.000000 0.773610 0.500000 O\n0.000000 0.280643 0.000000 O\n0.000000 0.266924 0.500000 O\n0.500000 0.747589 0.252922 O\n0.500000 0.747589 0.747078 O\n0.500000 0.255492 0.249961 O\n0.500000 0.255492 0.750039 O\n0.500000 0.005103 0.000000 O\n0.500000 0.010591 0.500000 O\n0.500000 0.500155 0.000000 O\n0.500000 0.492008 0.500000 O\n0.000000 0.008645 0.272506 O\n0.000000 0.008645 0.727494 O\n0.000000 0.492725 0.337153 O\n0.000000 0.492725 0.662847 O\n",
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"formula_full": "K1 Mg14 B1 O15",
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}
]
}