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{
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{
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{
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{
"id": "mp-1211455",
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"structure_string": "K2 Gd2 Mo4 O16\n1.0\n5.260043 5.424421 0.000000\n-5.260043 5.424421 0.000000\n0.000000 5.175761 5.886931\nK Gd Mo O\n2 2 4 16\ndirect\n0.200196 0.799804 0.750000 K\n0.799804 0.200196 0.250000 K\n0.770622 0.229378 0.750000 Gd\n0.229378 0.770622 0.250000 Gd\n0.694254 0.697189 0.760753 Mo\n0.305746 0.302811 0.239247 Mo\n0.302811 0.305746 0.739247 Mo\n0.697189 0.694254 0.260753 Mo\n0.613706 0.767750 0.561885 O\n0.386294 0.232250 0.438115 O\n0.232250 0.386294 0.938115 O\n0.767750 0.613706 0.061885 O\n0.383413 0.069224 0.873226 O\n0.616587 0.930776 0.126774 O\n0.930776 0.616587 0.626774 O\n0.069224 0.383413 0.373226 O\n0.584172 0.367912 0.971964 O\n0.415828 0.632088 0.028036 O\n0.632088 0.415828 0.528036 O\n0.367912 0.584172 0.471964 O\n0.793724 0.951338 0.690650 O\n0.206276 0.048662 0.309350 O\n0.048662 0.206276 0.809350 O\n0.951338 0.793724 0.190650 O\n",
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{
"id": "mp-1040803",
"created_at": "2022-09-04T14:48:31.570437Z",
"structure_string": "La1 Cr1 Mo1 O6\n1.0\n5.500692 0.000000 0.000000\n-0.025006 5.504555 0.000000\n-2.733976 -2.754671 3.910759\nLa Cr Mo O\n1 1 1 6\ndirect\n0.745032 0.741032 0.018201 La\n0.998898 0.489785 0.511628 Cr\n0.501379 0.990849 0.511925 Mo\n0.187639 0.748108 0.571804 O\n0.714674 0.713013 0.509868 O\n0.297659 0.280807 0.484302 O\n0.728617 0.196920 0.018642 O\n0.275882 0.768917 0.003136 O\n0.790397 0.229159 0.472143 O\n",
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],
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{
"id": "mp-699451",
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"structure_string": "Ca4 B6 H26 O26\n1.0\n7.401328 0.000000 0.000000\n-0.654033 8.010066 0.000000\n-3.548594 -3.242420 8.666228\nCa B H O\n4 6 26 26\ndirect\n0.745651 0.922434 0.967400 Ca\n0.254349 0.077566 0.032600 Ca\n0.582537 0.884885 0.326949 Ca\n0.417463 0.115115 0.673051 Ca\n0.366931 0.716346 0.971573 B\n0.633069 0.283654 0.028427 B\n0.308312 0.762622 0.713612 B\n0.691688 0.237378 0.286388 B\n0.150386 0.470972 0.715455 B\n0.849614 0.529028 0.284545 B\n0.628269 0.632814 0.080274 H\n0.371731 0.367186 0.919726 H\n0.147372 0.747909 0.059527 H\n0.852628 0.252091 0.940473 H\n0.508699 0.747148 0.605044 H\n0.491301 0.252852 0.394956 H\n0.087560 0.906528 0.697924 H\n0.912440 0.093472 0.302076 H\n0.036757 0.228970 0.543606 H\n0.963243 0.771030 0.456394 H\n0.879073 0.494549 0.578005 H\n0.120927 0.505451 0.421995 H\n0.934685 0.805659 0.777184 H\n0.065315 0.194341 0.222816 H\n0.898082 0.573568 0.858562 H\n0.101918 0.426432 0.141438 H\n0.832243 0.565807 0.998122 H\n0.167757 0.434193 0.001878 H\n0.806920 0.996668 0.689874 H\n0.193080 0.003332 0.310126 H\n0.824649 0.149630 0.621141 H\n0.175351 0.850370 0.378859 H\n0.351446 0.569857 0.350034 H\n0.648554 0.430143 0.649966 H\n0.575661 0.544339 0.376697 H\n0.424339 0.455661 0.623303 H\n0.582510 0.743194 0.066608 O\n0.417490 0.256806 0.933392 O\n0.287981 0.799233 0.090833 O\n0.712019 0.200767 0.909167 O\n0.349216 0.830508 0.878036 O\n0.650784 0.169492 0.121964 O\n0.497802 0.819942 0.699549 O\n0.502198 0.180058 0.300451 O\n0.167904 0.866313 0.637802 O\n0.832096 0.133687 0.362198 O\n0.244082 0.568850 0.642840 O\n0.755918 0.431150 0.357160 O\n0.143748 0.278221 0.648892 O\n0.856252 0.721779 0.351108 O\n0.943081 0.504556 0.687395 O\n0.056919 0.495444 0.312605 O\n0.266856 0.530052 0.884045 O\n0.733144 0.469948 0.115955 O\n0.944452 0.934315 0.817304 O\n0.055548 0.065685 0.182696 O\n0.881875 0.645449 0.952855 O\n0.118125 0.354551 0.047145 O\n0.728378 0.047833 0.606334 O\n0.271622 0.952167 0.393666 O\n0.490047 0.633256 0.396492 O\n0.509953 0.366744 0.603508 O\n",
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"formula_full": "Ca4 B6 H26 O26",
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{
"id": "mp-1203025",
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"structure_string": "Np16 N24\n1.0\n-5.293061 5.293061 5.293061\n5.293061 -5.293061 5.293061\n5.293061 5.293061 -5.293061\nNp N\n16 24\ndirect\n0.500000 0.000000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n0.000000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.773814 0.250000 0.023814 Np\n0.726186 0.750000 0.476186 Np\n0.250000 0.023814 0.773814 Np\n0.750000 0.476186 0.726186 Np\n0.023814 0.773814 0.250000 Np\n0.476186 0.726186 0.750000 Np\n0.226186 0.750000 0.976186 Np\n0.273814 0.250000 0.523814 Np\n0.750000 0.976186 0.226186 Np\n0.250000 0.523814 0.273814 Np\n0.976186 0.226186 0.750000 Np\n0.523814 0.273814 0.250000 Np\n0.497196 0.233833 0.470473 N\n0.236640 0.266167 0.763363 N\n0.002804 0.473277 0.736637 N\n0.263360 0.026723 0.029527 N\n0.233833 0.470473 0.497196 N\n0.266167 0.763363 0.236640 N\n0.473277 0.736637 0.002804 N\n0.026723 0.029527 0.263360 N\n0.470473 0.497196 0.233833 N\n0.763363 0.236640 0.266167 N\n0.736637 0.002804 0.473277 N\n0.029527 0.263360 0.026723 N\n0.502804 0.766167 0.529527 N\n0.763360 0.733833 0.236637 N\n0.997196 0.526723 0.263363 N\n0.736640 0.973277 0.970473 N\n0.766167 0.529527 0.502804 N\n0.733833 0.236637 0.763360 N\n0.526723 0.263363 0.997196 N\n0.973277 0.970473 0.736640 N\n0.529527 0.502804 0.766167 N\n0.236637 0.763360 0.733833 N\n0.263363 0.997196 0.526723 N\n0.970473 0.736640 0.973277 N\n",
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{
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"created_at": "2022-09-04T14:48:29.534453Z",
"structure_string": "La4 Ti6 O18\n1.0\n7.920449 0.000000 0.000000\n-2.844533 8.551396 0.000000\n-0.126765 -1.992560 5.566774\nLa Ti O\n4 6 18\ndirect\n0.579765 0.806847 0.180805 La\n0.214879 0.128809 0.192732 La\n0.785121 0.871191 0.807268 La\n0.420235 0.193153 0.819195 La\n0.851061 0.426327 0.075664 Ti\n0.998378 0.766586 0.486439 Ti\n0.660908 0.338915 0.483943 Ti\n0.339092 0.661085 0.516057 Ti\n0.001622 0.233414 0.513561 Ti\n0.148939 0.573673 0.924336 Ti\n0.998416 0.716318 0.003156 O\n0.694325 0.118370 0.011450 O\n0.690179 0.579137 0.025048 O\n0.954741 0.989916 0.324658 O\n0.948659 0.459794 0.324571 O\n0.496630 0.184053 0.281041 O\n0.390343 0.612245 0.321312 O\n0.763034 0.656658 0.461323 O\n0.775425 0.121451 0.521387 O\n0.224575 0.878549 0.478613 O\n0.236966 0.343342 0.538677 O\n0.609657 0.387755 0.678688 O\n0.503370 0.815947 0.718959 O\n0.051341 0.540206 0.675429 O\n0.045259 0.010084 0.675342 O\n0.309821 0.420863 0.974952 O\n0.305675 0.881630 0.988550 O\n0.001584 0.283682 0.996844 O\n",
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{
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{
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"structure_string": "Mg6 Nb1 Sn1 O8\n1.0\n9.041703 0.000000 0.000000\n0.000000 4.502171 0.000000\n0.000000 0.000000 4.502171\nMg Nb Sn O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.254364 0.000000 0.500000 Mg\n0.745636 -0.000000 0.500000 Mg\n0.254364 0.500000 0.000000 Mg\n0.745636 0.500000 -0.000000 Mg\n0.500000 0.000000 0.000000 Nb\n0.000000 0.000000 0.000000 Sn\n0.259125 -0.000000 0.000000 O\n0.740875 0.000000 -0.000000 O\n0.249728 0.500000 0.500000 O\n0.750272 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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{
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"structure_string": "Y16 B4 Br24\n1.0\n5.654757 9.159224 0.000000\n-5.654757 9.159224 0.000000\n0.000000 1.417840 12.567282\nY B Br\n16 4 24\ndirect\n0.711200 0.470088 0.191578 Y\n0.529912 0.288800 0.308422 Y\n0.288800 0.529912 0.808422 Y\n0.470088 0.711200 0.691578 Y\n0.783761 0.543228 0.453517 Y\n0.456772 0.216239 0.046483 Y\n0.216239 0.456772 0.546483 Y\n0.543228 0.783761 0.953517 Y\n0.581008 0.359486 0.587672 Y\n0.640514 0.418992 0.912328 Y\n0.418992 0.640514 0.412328 Y\n0.359486 0.581008 0.087672 Y\n0.116622 0.811170 0.604589 Y\n0.188830 0.883378 0.895411 Y\n0.883378 0.188830 0.395411 Y\n0.811170 0.116622 0.104589 Y\n0.660403 0.412226 0.394350 B\n0.587774 0.339597 0.105650 B\n0.339597 0.587774 0.605650 B\n0.412226 0.660403 0.894350 B\n0.142981 0.379533 0.748255 Br\n0.620467 0.857019 0.751745 Br\n0.857019 0.620467 0.251745 Br\n0.379533 0.142981 0.248255 Br\n0.158695 0.913836 0.396583 Br\n0.086164 0.841305 0.103417 Br\n0.841305 0.086164 0.603417 Br\n0.913836 0.158695 0.896583 Br\n0.052765 0.308239 0.466380 Br\n0.691761 0.947235 0.033620 Br\n0.947235 0.691761 0.533620 Br\n0.308239 0.052765 0.966380 Br\n0.984060 0.225224 0.180893 Br\n0.774776 0.015940 0.319107 Br\n0.015940 0.774776 0.819107 Br\n0.225224 0.984060 0.680893 Br\n0.469355 0.747022 0.184749 Br\n0.252978 0.530645 0.315251 Br\n0.530645 0.252978 0.815251 Br\n0.747022 0.469355 0.684749 Br\n0.806090 0.546453 0.974354 Br\n0.453547 0.193910 0.525646 Br\n0.193910 0.453547 0.025646 Br\n0.546453 0.806090 0.474354 Br\n",
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}
]
}