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{
"id": "mp-1188550",
"created_at": "2022-09-04T14:39:42.500287Z",
"structure_string": "Ce4 Co14\n1.0\n-2.439339 -4.225059 0.000000\n-4.878678 0.000000 0.000000\n-2.439339 -1.408353 -12.378238\nCe Co\n4 14\ndirect\n0.948577 0.948577 0.154269 Ce\n0.051423 0.051423 0.845731 Ce\n0.852624 0.852624 0.442128 Ce\n0.147376 0.147376 0.557872 Ce\n0.500000 0.500000 0.500000 Co\n0.721800 0.721800 0.834600 Co\n0.278200 0.278200 0.165400 Co\n0.611781 0.611781 0.164657 Co\n0.388219 0.388219 0.835343 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.391099 0.391099 0.327519 Co\n0.890283 0.391099 0.327519 Co\n0.391099 0.890283 0.327519 Co\n0.608901 0.608901 0.672481 Co\n0.109717 0.608901 0.672481 Co\n0.608901 0.109717 0.672481 Co\n",
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{
"id": "mp-1234022",
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"structure_string": "Mg1 Ag6 Mo10 O33\n1.0\n7.552814 0.076041 -1.771553\n2.051107 -8.334272 -1.503963\n0.063737 -0.562969 -11.677373\nMg Ag Mo O\n1 6 10 33\ndirect\n0.859231 0.609207 0.307823 Mg\n0.348425 0.997826 0.249201 Ag\n0.659572 0.003870 0.748092 Ag\n0.240971 0.356045 0.203587 Ag\n0.801939 0.563508 0.812161 Ag\n0.448105 0.645847 0.290598 Ag\n0.496414 0.422367 0.744830 Ag\n0.451931 0.232030 0.474658 Mo\n0.558292 0.792265 0.532644 Mo\n0.951180 0.227203 0.482782 Mo\n0.059833 0.776556 0.527008 Mo\n0.842785 0.815042 0.041407 Mo\n0.137370 0.188093 0.950116 Mo\n0.701299 0.192404 0.009195 Mo\n0.307960 0.779274 0.980689 Mo\n0.817089 0.017651 0.321876 Mo\n0.192120 0.998211 0.678530 Mo\n0.955414 0.012227 0.997380 O\n0.097898 0.692393 0.027340 O\n0.887526 0.321288 0.955000 O\n0.635697 0.986210 0.090720 O\n0.331483 0.994379 0.916223 O\n0.505438 0.320134 0.075354 O\n0.491629 0.639156 0.920629 O\n0.770235 0.651864 0.149414 O\n0.251235 0.339072 0.872997 O\n0.167604 0.169916 0.097403 O\n0.792471 0.800163 0.905887 O\n0.346611 0.774893 0.124818 O\n0.656184 0.193235 0.867224 O\n0.791021 0.167985 0.196170 O\n0.213825 0.829087 0.793589 O\n0.895181 0.839390 0.251946 O\n0.114100 0.156361 0.762530 O\n0.425607 0.370819 0.342283 O\n0.590271 0.656736 0.666242 O\n0.988808 0.385599 0.339772 O\n0.023389 0.637317 0.657637 O\n0.035481 0.021516 0.373700 O\n0.975751 0.998091 0.620451 O\n0.556358 0.010075 0.382855 O\n0.454965 0.002168 0.623841 O\n0.153148 0.660762 0.413121 O\n0.834842 0.337245 0.593673 O\n0.622705 0.663452 0.411556 O\n0.419844 0.349842 0.583522 O\n0.719077 0.181953 0.447476 O\n0.286136 0.829072 0.542051 O\n0.814631 0.838876 0.496649 O\n0.212589 0.176322 0.506457 O\n",
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"formula_full": "Mg1 Ag6 Mo10 O33",
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{
"id": "mp-1239149",
"created_at": "2022-09-04T14:39:44.321300Z",
"structure_string": "Hf4 Cr4 Cu4 S16\n1.0\n6.466077 -0.031405 0.563589\n-0.089278 7.329578 1.131397\n-0.029509 -0.073197 12.395508\nHf Cr Cu S\n4 4 4 16\ndirect\n0.138783 0.701592 0.700433 Hf\n0.858704 0.291010 0.301383 Hf\n0.765329 0.111907 0.997860 Hf\n0.366535 0.563322 0.295973 Hf\n0.242285 0.881116 0.998964 Cr\n0.633487 0.438574 0.705440 Cr\n0.377403 0.044924 0.291855 Cr\n0.634732 0.959424 0.701975 Cr\n0.123824 0.198486 0.703996 Cu\n0.874379 0.804365 0.293551 Cu\n0.257239 0.371272 0.992572 Cu\n0.746548 0.632361 0.000128 Cu\n0.102776 0.654844 0.896358 S\n0.890623 0.355452 0.106538 S\n0.110883 0.146875 0.892515 S\n0.909389 0.843570 0.106518 S\n0.178246 0.791782 0.375187 S\n0.809102 0.219033 0.636323 S\n0.194780 0.274935 0.375873 S\n0.794255 0.714342 0.633588 S\n0.320157 0.981094 0.629922 S\n0.680945 0.015125 0.375847 S\n0.321848 0.453290 0.631544 S\n0.693973 0.542335 0.376251 S\n0.391898 0.095423 0.104458 S\n0.583375 0.898997 0.888611 S\n0.393317 0.607778 0.099268 S\n0.605184 0.406775 0.887069 S\n",
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"volume": 588.0953052696383,
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"formula_full": "Hf4 Cr4 Cu4 S16",
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{
"id": "mp-1096141",
"created_at": "2022-09-04T14:39:44.327040Z",
"structure_string": "Sr2 Li1 Ga1\n1.0\n-6.343284 6.716797 8.963921\n6.343284 -6.716797 8.963921\n6.343284 6.716797 -8.963921\nSr Li Ga\n2 1 1\ndirect\n0.265312 0.000000 0.265311 Sr\n0.734689 0.000000 0.734689 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Ga\n",
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"density": 0.2738102933860131,
"density_atomic": 0.002618337348954047,
"volume": 1527.6870268828761,
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"formula_full": "Sr2 Li1 Ga1",
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"formula_anonymous": "ABC2",
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{
"id": "mp-5172",
"created_at": "2022-09-04T14:39:44.324419Z",
"structure_string": "Zr2 Ni21 B6\n1.0\n0.000000 5.297696 5.297696\n5.297696 0.000000 5.297696\n5.297696 5.297696 0.000000\nZr Ni B\n2 21 6\ndirect\n0.750000 0.750000 0.750000 Zr\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Ni\n0.613777 0.613777 0.158669 Ni\n0.613777 0.158669 0.613777 Ni\n0.158669 0.613777 0.613777 Ni\n0.613777 0.613777 0.613777 Ni\n0.386223 0.386223 0.841331 Ni\n0.386223 0.841331 0.386223 Ni\n0.841331 0.386223 0.386223 Ni\n0.386223 0.386223 0.386223 Ni\n0.000000 0.000000 0.339210 Ni\n0.660790 0.000000 0.339210 Ni\n0.000000 0.660790 0.339210 Ni\n0.660790 0.339210 0.000000 Ni\n0.000000 0.339210 0.000000 Ni\n0.000000 0.339210 0.660790 Ni\n0.339210 0.660790 0.000000 Ni\n0.339210 0.000000 0.660790 Ni\n0.339210 0.000000 0.000000 Ni\n0.000000 0.000000 0.660790 Ni\n0.000000 0.660790 0.000000 Ni\n0.660790 0.000000 0.000000 Ni\n0.729890 0.729890 0.270110 B\n0.270110 0.729890 0.270110 B\n0.729890 0.270110 0.270110 B\n0.270110 0.270110 0.729890 B\n0.729890 0.270110 0.729890 B\n0.270110 0.729890 0.729890 B\n",
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"formula_full": "Zr2 Ni21 B6",
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{
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"created_at": "2022-09-04T14:39:41.937561Z",
"structure_string": "Zn2 Cr3 Fe1 O8\n1.0\n-4.251864 -4.251854 -0.008300\n-0.008298 4.251853 -4.251867\n4.251852 -0.008287 -4.251856\nZn Cr Fe O\n2 3 1 8\ndirect\n0.249414 0.750586 0.750587 Zn\n0.000587 0.999412 0.999414 Zn\n0.625002 0.875003 0.375002 Cr\n0.625004 0.375010 0.874998 Cr\n0.124989 0.374995 0.374994 Cr\n0.625001 0.374999 0.375001 Fe\n0.863128 0.136872 0.136874 O\n0.386873 0.613126 0.613127 O\n0.864849 0.591552 0.135153 O\n0.864849 0.135151 0.591554 O\n0.408449 0.135151 0.135153 O\n0.385152 0.158447 0.614849 O\n0.385152 0.614848 0.158447 O\n0.841553 0.614848 0.614848 O\n",
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"formula_full": "Zn2 Cr3 Fe1 O8",
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{
"id": "mp-1101799",
"created_at": "2022-09-04T14:39:44.334748Z",
"structure_string": "Rb8 P4\n1.0\n5.490430 0.000000 0.000000\n0.000000 8.420260 0.000000\n0.000000 0.000000 10.610284\nRb P\n8 4\ndirect\n0.250000 0.839569 0.927567 Rb\n0.250000 0.339569 0.572433 Rb\n0.750000 0.160431 0.072433 Rb\n0.750000 0.660431 0.427567 Rb\n0.250000 0.981257 0.326204 Rb\n0.250000 0.481257 0.173796 Rb\n0.750000 0.018743 0.673796 Rb\n0.750000 0.518743 0.826204 Rb\n0.250000 0.248213 0.884852 P\n0.250000 0.748213 0.615148 P\n0.750000 0.751787 0.115148 P\n0.750000 0.251787 0.384852 P\n",
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"density": 2.734051406063614,
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"volume": 490.5224280270618,
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"formula_full": "Rb8 P4",
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{
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"structure_string": "Pa2 Br8\n1.0\n-4.462045 4.462045 4.097930\n4.462045 -4.462045 4.097930\n4.462045 4.462045 -4.097930\nPa Br\n2 8\ndirect\n0.000000 0.000000 0.000000 Pa\n0.250000 0.750000 0.500000 Pa\n0.382809 0.071577 0.311232 Br\n0.321577 0.510345 0.188768 Br\n0.321577 0.132809 0.811232 Br\n0.760345 0.071577 0.688768 Br\n0.928423 0.617191 0.688768 Br\n0.489655 0.678423 0.811232 Br\n0.867191 0.678423 0.188768 Br\n0.928423 0.239655 0.311232 Br\n",
"nsites": 10,
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"elements": [
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"volume": 326.3566140237908,
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"formula_full": "Pa2 Br8",
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{
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"structure_string": "Li2 V4 F14\n1.0\n-3.562851 3.769138 5.375200\n3.562851 -3.769138 5.375200\n3.562851 3.769138 -5.375200\nLi V F\n2 4 14\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.049885 0.294363 0.244478 F\n0.181373 0.942633 0.366211 F\n0.576422 0.942633 0.761261 F\n0.549885 0.305407 0.755522 F\n0.250000 0.094536 0.844536 F\n0.681373 0.315161 0.238739 F\n0.076422 0.315161 0.633789 F\n0.923578 0.684839 0.366211 F\n0.318627 0.684839 0.761261 F\n0.750000 0.905464 0.155464 F\n0.450115 0.694593 0.244478 F\n0.423578 0.057367 0.238739 F\n0.818627 0.057367 0.633789 F\n0.950115 0.705637 0.755522 F\n",
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{
"id": "mp-19254",
"created_at": "2022-09-04T14:39:49.381325Z",
"structure_string": "Fe4 S4 O16\n1.0\n4.888603 0.000000 0.000000\n0.000000 6.908368 0.000000\n0.000000 0.000000 8.817877\nFe S O\n4 4 16\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.525672 0.750000 0.176821 S\n0.025672 0.250000 0.323179 S\n0.474328 0.250000 0.823179 S\n0.974328 0.750000 0.676821 S\n0.237768 0.750000 0.119765 O\n0.737768 0.250000 0.380235 O\n0.762232 0.250000 0.880235 O\n0.262232 0.750000 0.619765 O\n0.530891 0.750000 0.348171 O\n0.030891 0.250000 0.151829 O\n0.469109 0.250000 0.651829 O\n0.969109 0.750000 0.848171 O\n0.835614 0.928170 0.625568 O\n0.335614 0.071830 0.874432 O\n0.164386 0.428170 0.374432 O\n0.664386 0.571830 0.125568 O\n0.164386 0.071830 0.374432 O\n0.664386 0.928170 0.125568 O\n0.835614 0.571830 0.625568 O\n0.335614 0.428170 0.874432 O\n",
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},
{
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"structure_string": "V4 Cr5 S10\n1.0\n-5.872536 0.000000 0.000000\n-0.007697 -6.675287 0.000000\n2.929143 2.286199 7.303667\nV Cr S\n4 5 10\ndirect\n0.214103 0.403775 0.404732 V\n0.396007 0.778256 0.781874 V\n0.603993 0.221744 0.218126 V\n0.785897 0.596225 0.595268 V\n0.098548 0.714438 0.189205 Cr\n0.285167 0.098399 0.600781 Cr\n0.500000 0.500000 0.000000 Cr\n0.714833 0.901601 0.399219 Cr\n0.901452 0.285562 0.810795 Cr\n0.609376 0.144502 0.902355 S\n0.411647 0.754819 0.486353 S\n0.011963 0.943349 0.701643 S\n0.828898 0.559129 0.301387 S\n0.216297 0.361788 0.103455 S\n0.783703 0.638212 0.896545 S\n0.588353 0.245181 0.513647 S\n0.171102 0.440871 0.698613 S\n0.988037 0.056651 0.298357 S\n0.390624 0.855498 0.097645 S\n",
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"elements": [
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],
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{
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"structure_string": "Li15 Ni14 O28\n1.0\n1.468510 4.993436 0.000000\n-1.468510 4.993436 0.000000\n0.000000 2.840886 34.046283\nLi Ni O\n15 14 28\ndirect\n0.086890 0.086890 0.962198 Li\n0.049181 0.049181 0.900136 Li\n0.163304 0.163304 0.843565 Li\n0.717725 0.717725 0.781253 Li\n0.857205 0.857205 0.642647 Li\n0.286165 0.286165 0.712903 Li\n0.000165 0.000165 0.499698 Li\n0.428543 0.428543 0.571426 Li\n0.142718 0.142718 0.357478 Li\n0.571586 0.571586 0.428395 Li\n0.713952 0.713952 0.286211 Li\n0.284703 0.284703 0.215400 Li\n0.854349 0.854349 0.146326 Li\n0.521540 0.521540 0.022060 Li\n0.410644 0.410644 0.081342 Li\n0.310012 0.310012 0.965832 Ni\n0.834909 0.834909 0.891185 Ni\n0.425782 0.425782 0.818391 Ni\n0.000107 0.000107 0.747927 Ni\n0.571804 0.571804 0.677879 Ni\n0.143265 0.143265 0.607041 Ni\n0.714556 0.714556 0.535681 Ni\n0.285668 0.285668 0.464252 Ni\n0.857120 0.857120 0.392923 Ni\n0.428466 0.428466 0.321679 Ni\n0.999449 0.999449 0.250603 Ni\n0.569947 0.569947 0.179870 Ni\n0.140416 0.140416 0.109158 Ni\n0.729607 0.729607 0.039140 Ni\n0.673371 0.673371 0.987270 O\n0.219765 0.219765 0.912246 O\n0.922485 0.922485 0.943926 O\n0.791622 0.791622 0.834603 O\n0.481884 0.481884 0.869700 O\n0.369453 0.369453 0.766744 O\n0.058611 0.058611 0.798627 O\n0.940485 0.940485 0.697339 O\n0.632820 0.632820 0.728610 O\n0.511678 0.511678 0.626837 O\n0.203101 0.203101 0.658105 O\n0.083192 0.083192 0.555804 O\n0.774527 0.774527 0.587248 O\n0.654412 0.654412 0.484063 O\n0.345805 0.345805 0.515647 O\n0.225793 0.225793 0.412769 O\n0.916991 0.916991 0.444432 O\n0.797135 0.797135 0.341412 O\n0.488580 0.488580 0.373115 O\n0.368398 0.368398 0.270264 O\n0.059974 0.059974 0.301836 O\n0.938456 0.938456 0.199532 O\n0.630902 0.630902 0.230904 O\n0.508950 0.508950 0.128797 O\n0.200794 0.200794 0.160525 O\n0.086772 0.086772 0.056572 O\n0.774441 0.774441 0.091598 O\n0.346971 0.346971 0.024229 O\n",
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"elements": [
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],
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}
]
}