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{
"id": "mp-1200968",
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"structure_string": "H38 C12 N6 Cl2 O4\n1.0\n8.113238 0.282766 1.539157\n0.510937 8.464038 3.099588\n-0.177796 -0.024721 8.986337\nH C N Cl O\n38 12 6 2 4\ndirect\n0.584955 0.348534 0.622762 H\n0.415045 0.651466 0.377238 H\n0.481076 0.691591 0.985858 H\n0.518924 0.308409 0.014142 H\n0.412298 0.644572 0.859652 H\n0.587702 0.355428 0.140348 H\n0.658720 0.392183 0.442423 H\n0.341280 0.607817 0.557577 H\n0.807231 0.595747 0.875960 H\n0.192769 0.404253 0.124040 H\n0.793096 0.499444 0.736468 H\n0.206904 0.500556 0.263532 H\n0.992036 0.532623 0.766828 H\n0.007964 0.467377 0.233172 H\n0.889450 0.849081 0.388567 H\n0.110550 0.150919 0.611433 H\n0.011170 0.665543 0.462127 H\n0.988830 0.334457 0.537873 H\n0.797939 0.668429 0.440917 H\n0.202061 0.331571 0.559083 H\n0.612668 0.025371 0.836674 H\n0.387332 0.974629 0.163326 H\n0.725691 0.937428 0.003640 H\n0.274309 0.062572 0.996360 H\n0.791050 0.109335 0.846329 H\n0.208950 0.890665 0.153671 H\n0.071839 0.766455 0.777588 H\n0.928161 0.233545 0.222412 H\n0.056025 0.912326 0.872732 H\n0.943975 0.087674 0.127268 H\n0.970327 0.729684 0.976583 H\n0.029673 0.270316 0.023417 H\n0.700148 0.103036 0.567432 H\n0.299852 0.896964 0.432568 H\n0.575734 0.830287 0.518898 H\n0.424266 0.169713 0.481102 H\n0.620180 0.000727 0.350765 H\n0.379820 0.999273 0.649235 H\n0.584366 0.958118 0.480596 C\n0.415634 0.041882 0.519404 C\n0.861899 0.581884 0.761316 C\n0.138101 0.418116 0.238684 C\n0.887166 0.728511 0.472370 C\n0.112834 0.271489 0.527630 C\n0.735968 0.997988 0.874233 C\n0.264032 0.002012 0.125767 C\n0.991853 0.820292 0.859070 C\n0.008147 0.179708 0.140930 C\n0.794872 0.871095 0.665868 C\n0.205127 0.128905 0.334132 C\n0.704123 0.987537 0.566859 N\n0.295877 0.012463 0.433141 N\n0.846202 0.734007 0.634809 N\n0.153798 0.265993 0.365191 N\n0.837036 0.892555 0.795672 N\n0.162964 0.107445 0.204328 N\n0.619508 0.571641 0.214727 Cl\n0.380492 0.428359 0.785273 Cl\n0.672985 0.313416 0.549004 O\n0.327015 0.686584 0.450996 O\n0.427200 0.737441 0.888413 O\n0.572801 0.262559 0.111587 O\n",
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"formula_full": "H38 C12 N6 Cl2 O4",
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"spacegroup": 2
},
{
"id": "mp-1203941",
"created_at": "2022-09-04T14:39:58.926951Z",
"structure_string": "La8 Cu6 Mo2 O24\n1.0\n6.930066 0.000000 0.000000\n0.000000 10.981500 0.000000\n-0.006535 0.000000 7.973766\nLa Cu Mo O\n8 6 2 24\ndirect\n0.747559 0.248254 0.881684 La\n0.747559 0.751746 0.881684 La\n0.756284 0.249480 0.371759 La\n0.756284 0.750520 0.371759 La\n0.233403 0.252455 0.634082 La\n0.233403 0.747545 0.634082 La\n0.244009 0.249949 0.123527 La\n0.244009 0.750051 0.123527 La\n0.453578 0.500000 0.876977 Cu\n0.882933 0.500000 0.659773 Cu\n0.888942 0.500000 0.097360 Cu\n0.541088 0.000000 0.140042 Cu\n0.106929 0.000000 0.912211 Cu\n0.104394 0.000000 0.348854 Cu\n0.412509 0.500000 0.378657 Mo\n0.572189 0.000000 0.624871 Mo\n0.736095 0.500000 0.880280 O\n0.680866 0.500000 0.378285 O\n0.277865 0.500000 0.578837 O\n0.276673 0.500000 0.179239 O\n0.577275 0.176099 0.623915 O\n0.577275 0.823901 0.623915 O\n0.579335 0.165567 0.126622 O\n0.579335 0.834433 0.126622 O\n0.080059 0.166679 0.881186 O\n0.080059 0.833321 0.881186 O\n0.077557 0.166234 0.378597 O\n0.077557 0.833766 0.378597 O\n0.911976 0.333389 0.125715 O\n0.911976 0.666611 0.125715 O\n0.413509 0.323881 0.378247 O\n0.413509 0.676119 0.378247 O\n0.412423 0.334951 0.877446 O\n0.412423 0.665049 0.877446 O\n0.912344 0.333237 0.630064 O\n0.912344 0.666763 0.630064 O\n0.256878 0.000000 0.133371 O\n0.306609 0.000000 0.644039 O\n0.687112 0.000000 0.413138 O\n0.713273 0.000000 0.820881 O\n",
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{
"id": "mp-28048",
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"structure_string": "K4 Tl4 Br16\n1.0\n8.149151 0.000000 0.000000\n0.000000 10.842266 0.000000\n0.000000 0.000000 10.890500\nK Tl Br\n4 4 16\ndirect\n0.180954 0.250000 0.750000 K\n0.319046 0.750000 0.750000 K\n0.819046 0.750000 0.250000 K\n0.680954 0.250000 0.250000 K\n0.750000 0.500000 0.676926 Tl\n0.750000 0.000000 0.823074 Tl\n0.250000 0.500000 0.323074 Tl\n0.250000 0.000000 0.176926 Tl\n0.350999 0.189701 0.047436 Br\n0.350999 0.310299 0.452564 Br\n0.149001 0.689701 0.452564 Br\n0.149001 0.810299 0.047436 Br\n0.649001 0.810299 0.952564 Br\n0.649001 0.689701 0.547436 Br\n0.850999 0.310299 0.547436 Br\n0.850999 0.189701 0.952564 Br\n0.993158 0.040784 0.318636 Br\n0.993158 0.459216 0.181364 Br\n0.506842 0.540784 0.181364 Br\n0.506842 0.959216 0.318636 Br\n0.006842 0.959216 0.681364 Br\n0.006842 0.540784 0.818636 Br\n0.493158 0.459216 0.818636 Br\n0.493158 0.040784 0.681364 Br\n",
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"formula_full": "K4 Tl4 Br16",
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{
"id": "mp-1092328",
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"structure_string": "Sc3 Ir1 C4\n1.0\n-1.735266 2.218665 6.122496\n1.735266 -2.218665 6.122496\n1.735266 2.218665 -6.122496\nSc Ir C\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Sc\n0.809539 0.309539 0.500000 Sc\n0.190461 0.690461 0.500000 Sc\n0.000000 0.000000 0.000000 Ir\n0.209130 0.872483 0.336647 C\n0.790870 0.127517 0.663353 C\n0.464164 0.127517 0.336647 C\n0.535836 0.872483 0.663353 C\n",
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{
"id": "mp-12041",
"created_at": "2022-09-04T14:39:47.036423Z",
"structure_string": "Dy2 Sb2 Pd2\n1.0\n2.302081 -3.987322 0.000000\n2.302081 3.987322 0.000000\n0.000000 0.000000 7.427888\nDy Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.495759 Dy\n0.000000 0.000000 0.995759 Dy\n0.333333 0.666667 0.722659 Sb\n0.666667 0.333333 0.222659 Sb\n0.666667 0.333333 0.830603 Pd\n0.333333 0.666667 0.330603 Pd\n",
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{
"id": "mp-1189852",
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"structure_string": "Sc7 Co1 Cl12\n1.0\n6.709574 3.873774 3.102718\n-6.709574 3.873774 3.102718\n0.000000 -7.747549 3.102718\nSc Co Cl\n7 1 12\ndirect\n0.977049 0.898678 0.690597 Sc\n0.898678 0.690597 0.977049 Sc\n0.690597 0.977049 0.898678 Sc\n0.022951 0.101322 0.309403 Sc\n0.101322 0.309403 0.022951 Sc\n0.309403 0.022951 0.101322 Sc\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Co\n0.829658 0.541446 0.615651 Cl\n0.541446 0.615651 0.829658 Cl\n0.615651 0.829658 0.541446 Cl\n0.170342 0.458554 0.384349 Cl\n0.458554 0.384349 0.170342 Cl\n0.384349 0.170342 0.458554 Cl\n0.069333 0.216100 0.678782 Cl\n0.216100 0.678782 0.069333 Cl\n0.678782 0.069333 0.216100 Cl\n0.930667 0.783900 0.321218 Cl\n0.783900 0.321218 0.930667 Cl\n0.321218 0.930667 0.783900 Cl\n",
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{
"id": "mp-707543",
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"structure_string": "H24 C4 N24 O16\n1.0\n8.493947 0.000000 0.000000\n-3.552983 -8.745507 0.000000\n-3.638992 0.501785 -9.326117\nH C N O\n24 4 24 16\ndirect\n0.643831 0.010825 0.420270 H\n0.356169 0.989175 0.579730 H\n0.075814 0.727375 0.886016 H\n0.924186 0.272625 0.113984 H\n0.296392 0.758722 0.115060 H\n0.703608 0.241278 0.884940 H\n0.102496 0.211704 0.642304 H\n0.897504 0.788296 0.357696 H\n0.604528 0.861534 0.535758 H\n0.395472 0.138466 0.464242 H\n0.946777 0.181433 0.467207 H\n0.053223 0.818567 0.532793 H\n0.846678 0.653516 0.863685 H\n0.153322 0.346484 0.136315 H\n0.919187 0.569043 0.229216 H\n0.080813 0.430957 0.770784 H\n0.811222 0.906032 0.776482 H\n0.188778 0.093968 0.223518 H\n0.756373 0.567954 0.064812 H\n0.243627 0.432046 0.935188 H\n0.233751 0.679349 0.261009 H\n0.766249 0.320651 0.738991 H\n0.033141 0.039299 0.813830 H\n0.966859 0.960701 0.186170 H\n0.857643 0.032850 0.608851 C\n0.142357 0.967150 0.391149 C\n0.021673 0.663473 0.070637 C\n0.978327 0.336527 0.929363 C\n0.560512 0.184712 0.034380 N\n0.439488 0.815288 0.965620 N\n0.303559 0.485745 0.635348 N\n0.696441 0.514255 0.364652 N\n0.604051 0.155524 0.177180 N\n0.395949 0.844476 0.822820 N\n0.482926 0.550621 0.722863 N\n0.517074 0.449379 0.277137 N\n0.379207 0.152396 0.953268 N\n0.620793 0.847604 0.046732 N\n0.257078 0.543267 0.501854 N\n0.742922 0.456733 0.498146 N\n0.978669 0.695713 0.931856 N\n0.021331 0.304287 0.068144 N\n0.907007 0.982387 0.740909 N\n0.092993 0.017613 0.259091 N\n0.196161 0.698584 0.154065 N\n0.803839 0.301416 0.845935 N\n0.691204 0.960637 0.512969 N\n0.308796 0.039363 0.487031 N\n0.890184 0.597641 0.125411 N\n0.109816 0.402359 0.874589 N\n0.974793 0.155141 0.571778 N\n0.025207 0.844859 0.428222 N\n0.508547 0.524501 0.852542 O\n0.491453 0.475499 0.147458 O\n0.353057 0.163160 0.822043 O\n0.646943 0.836840 0.177957 O\n0.107428 0.459263 0.415416 O\n0.892572 0.540737 0.584584 O\n0.493968 0.089369 0.238676 O\n0.506032 0.910631 0.761324 O\n0.610607 0.619444 0.678477 O\n0.389393 0.380556 0.321523 O\n0.773669 0.198811 0.241829 O\n0.226331 0.801189 0.758171 O\n0.254536 0.120622 0.001714 O\n0.745464 0.879378 0.998286 O\n0.346840 0.672818 0.470957 O\n0.653160 0.327182 0.529043 O\n",
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{
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"structure_string": "Ag1 P1 Pt5\n1.0\n3.963015 0.000000 0.000000\n0.000000 3.963015 0.000000\n0.000000 0.000000 7.118014\nAg P Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.702994 Pt\n0.000000 0.500000 0.702994 Pt\n0.500000 0.000000 0.297006 Pt\n0.000000 0.500000 0.297006 Pt\n",
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{
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