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{
"id": "mp-542951",
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{
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"formula_full": "P12 N12 F24",
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{
"id": "mp-1223911",
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"structure_string": "In1 Ga1 Ag2 Se4\n1.0\n-3.064417 3.064417 5.831896\n3.064417 -3.064417 5.831896\n3.064417 3.064417 -5.831896\nIn Ga Ag Se\n1 1 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.104632 0.135380 0.502709 Se\n0.632671 0.601923 0.497291 Se\n0.398077 0.895368 0.030748 Se\n0.864620 0.367329 0.969252 Se\n",
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"formula_full": "In1 Ga1 Ag2 Se4",
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{
"id": "mp-1096886",
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"structure_string": "Cr4 N8\n1.0\n5.168434 0.000000 0.000000\n-1.666362 7.326860 0.000000\n-1.646958 -3.497295 6.502032\nCr N\n4 8\ndirect\n0.554796 0.471611 0.849665 Cr\n0.187505 0.371330 0.439779 Cr\n0.184060 0.714167 0.834675 Cr\n0.552048 0.227363 0.126339 Cr\n0.656075 0.353087 0.989964 N\n0.171007 0.615092 0.579072 N\n0.393935 0.637459 0.979096 N\n0.312882 0.982564 0.956092 N\n0.388460 0.362792 0.283116 N\n0.838396 0.215452 0.281243 N\n0.339838 0.280632 0.596378 N\n0.852208 0.623601 0.841640 N\n",
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{
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"created_at": "2022-09-04T14:42:07.800144Z",
"structure_string": "Mg2 Zn8 O10\n1.0\n1.644713 -2.848726 0.000000\n1.644713 2.848726 0.000000\n0.000000 0.000000 26.339625\nMg Zn O\n2 8 10\ndirect\n0.333333 0.666667 0.276729 Mg\n0.333333 0.666667 0.076761 Mg\n0.000000 0.000000 0.975854 Zn\n0.000000 0.000000 0.775999 Zn\n0.000000 0.000000 0.576003 Zn\n0.000000 0.000000 0.375465 Zn\n0.000000 0.000000 0.175318 Zn\n0.333333 0.666667 0.876009 Zn\n0.333333 0.666667 0.676003 Zn\n0.333333 0.666667 0.476007 Zn\n0.000000 0.000000 0.899759 O\n0.000000 0.000000 0.699783 O\n0.000000 0.000000 0.499777 O\n0.000000 0.000000 0.299052 O\n0.000000 0.000000 0.099037 O\n0.333333 0.666667 0.799796 O\n0.333333 0.666667 0.599790 O\n0.333333 0.666667 0.399707 O\n0.333333 0.666667 0.200462 O\n0.333333 0.666667 0.000547 O\n",
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"formula_full": "Mg2 Zn8 O10",
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{
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"structure_string": "H8 Pd1 S8 N2 O26\n1.0\n7.742657 0.000000 0.000000\n-2.460258 8.662604 0.000000\n-0.016728 -3.175971 9.097244\nH Pd S N O\n8 1 8 2 26\ndirect\n0.202254 0.256773 0.977207 H\n0.797746 0.743227 0.022793 H\n0.209149 0.242731 0.799227 H\n0.790851 0.757269 0.200773 H\n0.122785 0.382299 0.912802 H\n0.877215 0.617701 0.087198 H\n0.009686 0.182105 0.863917 H\n0.990314 0.817895 0.136083 H\n0.500000 0.500000 0.500000 Pd\n0.669042 0.356564 0.703851 S\n0.330958 0.643436 0.296149 S\n0.880458 0.193913 0.481231 S\n0.119542 0.806087 0.518769 S\n0.394407 0.158542 0.225354 S\n0.605593 0.841458 0.774646 S\n0.789594 0.228383 0.199215 S\n0.210406 0.771617 0.800785 S\n0.135627 0.266220 0.888584 N\n0.864373 0.733780 0.111416 N\n0.703993 0.186857 0.564314 O\n0.296007 0.813143 0.435686 O\n0.696454 0.481665 0.627949 O\n0.303546 0.518335 0.372051 O\n0.811426 0.405287 0.818959 O\n0.188574 0.594713 0.181041 O\n0.852953 0.303675 0.376823 O\n0.147047 0.696325 0.623177 O\n0.037208 0.295342 0.577751 O\n0.962792 0.704658 0.422249 O\n0.486673 0.285210 0.726393 O\n0.513327 0.714790 0.273607 O\n0.864357 0.030756 0.389252 O\n0.135643 0.969244 0.610748 O\n0.430366 0.255840 0.384620 O\n0.569634 0.744160 0.615380 O\n0.597549 0.104095 0.189170 O\n0.402451 0.895905 0.810830 O\n0.779648 0.368463 0.164473 O\n0.220352 0.631537 0.835527 O\n0.903183 0.131361 0.128821 O\n0.096817 0.868639 0.871179 O\n0.378329 0.245702 0.126407 O\n0.621671 0.754298 0.873593 O\n0.275241 0.998321 0.201875 O\n0.724759 0.001679 0.798125 O\n",
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{
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"structure_string": "Sr2 V4 P4 O20\n1.0\n0.000000 6.006192 8.111451\n3.676465 0.000000 8.111451\n3.676465 6.006192 0.000000\nSr V P O\n2 4 4 20\ndirect\n0.996894 0.003106 0.003106 Sr\n0.246894 0.253106 0.253106 Sr\n0.621973 0.638487 0.650799 V\n0.599201 0.161259 0.628027 V\n0.088741 0.650799 0.638487 V\n0.611513 0.628027 0.161259 V\n0.201295 0.217498 0.798111 P\n0.451889 0.466904 0.048705 P\n0.783096 0.798111 0.217498 P\n0.032502 0.048705 0.466904 P\n0.238887 0.563518 0.284194 O\n0.610578 0.855406 0.183484 O\n0.327921 0.978101 0.698990 O\n0.826543 0.844450 0.674957 O\n0.164239 0.366413 0.625084 O\n0.394594 0.639422 0.899467 O\n0.405550 0.423457 0.595950 O\n0.686482 0.011113 0.336600 O\n0.913400 0.284194 0.563518 O\n0.350533 0.183484 0.855406 O\n0.654050 0.674957 0.844450 O\n0.844263 0.625084 0.366413 O\n0.624916 0.405737 0.085761 O\n0.883587 0.085761 0.405737 O\n0.575043 0.595950 0.423457 O\n0.066516 0.899467 0.639422 O\n0.271899 0.922079 0.255013 O\n0.965806 0.336600 0.011113 O\n0.994987 0.698990 0.978101 O\n0.551010 0.255013 0.922079 O\n",
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{
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"structure_string": "Li5 Fe1 Si2 O8\n1.0\n3.739494 3.679939 0.000000\n-3.739494 3.679939 0.000000\n0.000000 0.035942 6.297187\nLi Fe Si O\n5 1 2 8\ndirect\n0.801740 0.827640 0.262739 Li\n0.329667 0.670333 0.500000 Li\n0.681439 0.318561 0.500000 Li\n0.697138 0.302862 0.000000 Li\n0.172360 0.198260 0.737261 Li\n0.323537 0.676463 0.000000 Fe\n0.818897 0.831819 0.743140 Si\n0.168181 0.181103 0.256860 Si\n0.685923 0.703211 0.965126 O\n0.699315 0.696458 0.535058 O\n0.860155 0.199204 0.249827 O\n0.224661 0.864141 0.240236 O\n0.800796 0.139845 0.750173 O\n0.135859 0.775339 0.759764 O\n0.303542 0.300685 0.464942 O\n0.296789 0.314077 0.034874 O\n",
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{
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"formula_full": "Cr4 Ni2 H40 N4 O28",
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"updated_at": "2021-11-28T01:35:40.823000Z",
"spacegroup": 14
},
{
"id": "mp-23120",
"created_at": "2022-09-04T14:42:08.098335Z",
"structure_string": "Cs2 Na1 Y1 Cl6\n1.0\n0.000000 5.456817 5.456817\n5.456817 0.000000 5.456817\n5.456817 5.456817 0.000000\nCs Na Y Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.757504 0.242496 0.242496 Cl\n0.242496 0.242496 0.757504 Cl\n0.242496 0.757504 0.757504 Cl\n0.242496 0.757504 0.242496 Cl\n0.757504 0.242496 0.757504 Cl\n0.757504 0.757504 0.242496 Cl\n",
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"formula_full": "Cs2 Na1 Y1 Cl6",
"formula_reduced": "Cs2NaYCl6",
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{
"id": "mp-1211049",
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"structure_string": "Na8 Cr8 H8 O28\n1.0\n10.510192 0.000000 0.000000\n0.000000 6.341794 0.000000\n0.000000 0.253309 13.520701\nNa Cr H O\n8 8 8 28\ndirect\n0.838141 0.351984 0.230326 Na\n0.338141 0.648016 0.769674 Na\n0.322102 0.321522 0.011319 Na\n0.822102 0.678478 0.988681 Na\n0.339400 0.931733 0.234510 Na\n0.839400 0.068267 0.765490 Na\n0.878713 0.832726 0.471815 Na\n0.378713 0.167274 0.528185 Na\n0.507421 0.436447 0.332847 Cr\n0.007421 0.563553 0.667153 Cr\n0.493069 0.847213 0.005422 Cr\n0.993069 0.152787 0.994578 Cr\n0.994062 0.856471 0.191370 Cr\n0.494062 0.143529 0.808630 Cr\n0.552399 0.661137 0.542163 Cr\n0.052399 0.338863 0.457837 Cr\n0.715297 0.972406 0.313531 H\n0.215297 0.027594 0.686469 H\n0.723160 0.675378 0.797191 H\n0.223160 0.324622 0.202809 H\n0.234678 0.844453 0.427818 H\n0.734678 0.155547 0.572182 H\n0.682816 0.334161 0.065963 H\n0.182816 0.665839 0.934037 H\n0.901911 0.668446 0.150060 O\n0.401911 0.331554 0.849940 O\n0.412979 0.614615 0.285442 O\n0.912979 0.385385 0.714558 O\n0.653848 0.479945 0.296273 O\n0.153848 0.520055 0.703727 O\n0.959318 0.098929 0.123223 O\n0.459318 0.901071 0.876777 O\n0.644462 0.876697 0.024417 O\n0.144462 0.123303 0.975583 O\n0.984363 0.376284 0.350428 O\n0.484363 0.623716 0.649572 O\n0.508225 0.883678 0.490487 O\n0.008225 0.116322 0.509513 O\n0.960298 0.799997 0.697018 O\n0.460298 0.200003 0.302982 O\n0.002388 0.552428 0.534685 O\n0.502388 0.447572 0.465315 O\n0.142569 0.797316 0.174332 O\n0.642569 0.202684 0.825668 O\n0.966054 0.895994 0.307596 O\n0.466054 0.104006 0.692404 O\n0.706927 0.659102 0.552547 O\n0.206927 0.340898 0.447453 O\n0.913244 0.986492 0.926535 O\n0.413244 0.013508 0.073465 O\n0.451157 0.605631 0.031465 O\n0.951157 0.394369 0.968535 O\n",
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]
}