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{
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{
"id": "mp-763215",
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"structure_string": "Ni6 O2 F10\n1.0\n4.689698 0.000000 0.000000\n-0.000100 5.622893 0.000000\n-0.000653 -0.508174 7.745475\nNi O F\n6 2 10\ndirect\n0.496674 0.492235 0.000309 Ni\n0.503761 0.834943 0.330695 Ni\n0.482043 0.171702 0.669585 Ni\n0.006073 0.331175 0.340447 Ni\n0.005833 0.661319 0.664802 Ni\n0.008738 0.006013 0.995432 Ni\n0.194586 0.369839 0.567174 O\n0.303125 0.203931 0.898293 O\n0.195822 0.034173 0.232540 F\n0.197554 0.701554 0.898753 F\n0.302613 0.536184 0.232436 F\n0.303399 0.868509 0.564138 F\n0.693106 0.132773 0.438014 F\n0.699446 0.464334 0.768112 F\n0.698071 0.797794 0.096121 F\n0.802065 0.964406 0.764010 F\n0.806305 0.297709 0.105671 F\n0.800789 0.631406 0.433470 F\n",
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{
"id": "mp-1095433",
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"structure_string": "Tm2 Ga8 Ni2\n1.0\n2.053435 -7.574130 0.000000\n2.053435 7.574130 0.000000\n0.000000 0.000000 6.593655\nTm Ga Ni\n2 8 2\ndirect\n0.880206 0.119794 0.750000 Tm\n0.119794 0.880206 0.250000 Tm\n0.500000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.070675 0.929325 0.750000 Ga\n0.929325 0.070675 0.250000 Ga\n0.684780 0.315220 0.948953 Ga\n0.315220 0.684780 0.051047 Ga\n0.684780 0.315220 0.551047 Ga\n0.315220 0.684780 0.448953 Ga\n0.225590 0.774410 0.750000 Ni\n0.774410 0.225590 0.250000 Ni\n",
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"density": 8.201729209516719,
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"volume": 205.10201664011217,
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{
"id": "mp-634900",
"created_at": "2022-09-04T14:45:53.864117Z",
"structure_string": "Sr1 U1 O4\n1.0\n1.792989 4.076584 0.000000\n-1.792989 4.076584 0.000000\n0.000000 3.550221 5.285585\nSr U O\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 U\n0.229459 0.229459 0.661776 O\n0.770541 0.770541 0.338224 O\n0.413722 0.413722 0.883709 O\n0.586278 0.586278 0.116291 O\n",
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{
"id": "mp-1203967",
"created_at": "2022-09-04T14:45:53.867485Z",
"structure_string": "K2 Mo4 C8 Cl2 O16\n1.0\n0.054413 -0.001659 -7.196493\n-8.214262 -0.083292 3.024685\n0.769989 11.424613 0.089862\nK Mo C Cl O\n2 4 8 2 16\ndirect\n0.790257 0.119593 0.600256 K\n0.209743 0.880407 0.399744 K\n0.409179 0.366929 0.565279 Mo\n0.590821 0.633071 0.434721 Mo\n0.087474 0.014667 0.873623 Mo\n0.912526 0.985333 0.126377 Mo\n0.145395 0.454184 0.390284 C\n0.854605 0.545816 0.609716 C\n0.422904 0.703154 0.666789 C\n0.577096 0.296846 0.333211 C\n0.256152 0.852043 0.066076 C\n0.743848 0.147957 0.933924 C\n0.268210 0.295090 0.071222 C\n0.731790 0.704910 0.928778 C\n0.232028 0.080285 0.651737 Cl\n0.767972 0.919715 0.348263 Cl\n0.137898 0.350240 0.463166 O\n0.862102 0.649760 0.536834 O\n0.363976 0.556714 0.689101 O\n0.636024 0.443286 0.310899 O\n0.713813 0.422905 0.640415 O\n0.286187 0.577095 0.359585 O\n0.489438 0.220765 0.418533 O\n0.510562 0.779235 0.581467 O\n0.267734 0.884531 0.961965 O\n0.732266 0.115469 0.038035 O\n0.283277 0.256915 0.965995 O\n0.716723 0.743085 0.034005 O\n0.846226 0.129731 0.849341 O\n0.153774 0.870269 0.150659 O\n0.837679 0.768587 0.846707 O\n0.162321 0.231413 0.153293 O\n",
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{
"id": "mp-1202495",
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"structure_string": "Tb8 Ni88 C12\n1.0\n-5.638241 -7.471811 -0.000000\n-5.638241 7.471811 0.000000\n0.000000 0.000000 -14.566190\nTb Ni C\n8 88 12\ndirect\n0.814815 0.685185 0.250000 Tb\n0.685185 0.814815 0.750000 Tb\n0.185185 0.314815 0.750000 Tb\n0.314815 0.185185 0.250000 Tb\n0.707029 0.292971 0.528002 Tb\n0.292971 0.707029 0.471998 Tb\n0.792971 0.207029 0.028002 Tb\n0.207029 0.792971 0.971998 Tb\n0.928450 0.430463 0.181735 Ni\n0.430463 0.928450 0.818265 Ni\n0.930463 0.428450 0.681735 Ni\n0.428450 0.930463 0.318265 Ni\n0.071550 0.569537 0.818265 Ni\n0.569537 0.071550 0.181735 Ni\n0.069537 0.571550 0.318265 Ni\n0.571550 0.069537 0.681735 Ni\n0.560723 0.439277 0.341960 Ni\n0.439277 0.560723 0.658040 Ni\n0.939277 0.060723 0.841960 Ni\n0.060723 0.939277 0.158040 Ni\n0.008544 0.768413 0.421954 Ni\n0.768413 0.008544 0.578046 Ni\n0.268413 0.508544 0.921954 Ni\n0.508544 0.268413 0.078046 Ni\n0.991456 0.231587 0.578046 Ni\n0.231587 0.991456 0.421954 Ni\n0.731587 0.491456 0.078046 Ni\n0.491456 0.731587 0.921954 Ni\n0.751899 0.597587 0.450093 Ni\n0.597587 0.751899 0.549907 Ni\n0.097587 0.251899 0.950093 Ni\n0.251899 0.097587 0.049907 Ni\n0.248101 0.402413 0.549907 Ni\n0.402413 0.248101 0.450093 Ni\n0.902413 0.748101 0.049907 Ni\n0.748101 0.902413 0.950093 Ni\n0.140670 0.211954 0.427017 Ni\n0.211954 0.140670 0.572983 Ni\n0.711954 0.640670 0.927017 Ni\n0.640670 0.711954 0.072983 Ni\n0.859330 0.788046 0.572983 Ni\n0.788046 0.859330 0.427017 Ni\n0.288046 0.359330 0.072983 Ni\n0.359330 0.288046 0.927017 Ni\n0.821459 0.395769 0.343880 Ni\n0.395769 0.821459 0.656120 Ni\n0.895769 0.321459 0.843880 Ni\n0.321459 0.895769 0.156120 Ni\n0.178541 0.604231 0.656120 Ni\n0.604231 0.178541 0.343880 Ni\n0.104231 0.678541 0.156120 Ni\n0.678541 0.104231 0.843880 Ni\n0.949106 0.797136 0.869767 Ni\n0.797136 0.949106 0.130233 Ni\n0.297136 0.449106 0.369767 Ni\n0.449106 0.297136 0.630233 Ni\n0.050894 0.202864 0.130233 Ni\n0.202864 0.050894 0.869767 Ni\n0.702864 0.550894 0.630233 Ni\n0.550894 0.702864 0.369767 Ni\n0.046575 0.293137 0.298798 Ni\n0.293137 0.046575 0.701202 Ni\n0.793137 0.546575 0.798798 Ni\n0.546575 0.793137 0.201202 Ni\n0.953425 0.706863 0.701202 Ni\n0.706863 0.953425 0.298798 Ni\n0.206863 0.453425 0.201202 Ni\n0.453425 0.206863 0.798798 Ni\n0.819371 0.180629 0.233090 Ni\n0.180629 0.819371 0.766910 Ni\n0.680629 0.319371 0.733090 Ni\n0.319371 0.680629 0.266910 Ni\n0.855707 0.144293 0.413555 Ni\n0.144293 0.855707 0.586445 Ni\n0.644293 0.355707 0.913555 Ni\n0.355707 0.644293 0.086445 Ni\n0.997920 0.002080 0.325425 Ni\n0.002080 0.997920 0.674575 Ni\n0.502080 0.497920 0.825425 Ni\n0.497920 0.502080 0.174575 Ni\n0.658381 0.341619 0.211722 Ni\n0.341619 0.658381 0.788278 Ni\n0.841619 0.158381 0.711722 Ni\n0.158381 0.841619 0.288278 Ni\n0.000000 -0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.089990 0.467734 0.048368 Ni\n0.467734 0.089990 0.951632 Ni\n0.967734 0.589990 0.548368 Ni\n0.589990 0.967734 0.451632 Ni\n0.910010 0.532266 0.951632 Ni\n0.532266 0.910010 0.048368 Ni\n0.032266 0.410010 0.451632 Ni\n0.410010 0.032266 0.548368 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 -0.000000 -0.000000 Ni\n0.945385 0.054615 0.211509 C\n0.054615 0.945385 0.788491 C\n0.554615 0.445385 0.711509 C\n0.445385 0.554615 0.288491 C\n0.932049 0.557561 0.416407 C\n0.557561 0.932049 0.583593 C\n0.057561 0.432049 0.916407 C\n0.432049 0.057561 0.083593 C\n0.067951 0.442439 0.583593 C\n0.442439 0.067951 0.416407 C\n0.942439 0.567951 0.083593 C\n0.567951 0.942439 0.916407 C\n",
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{
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"structure_string": "Cs2 K1 As1 Br6\n1.0\n0.000000 5.842908 5.842908\n5.842908 0.000000 5.842908\n5.842908 5.842908 0.000000\nCs K As Br\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 K\n0.000000 0.000000 0.000000 As\n0.771250 0.228750 0.228750 Br\n0.228750 0.228750 0.771250 Br\n0.228750 0.771250 0.771250 Br\n0.228750 0.771250 0.228750 Br\n0.771250 0.228750 0.771250 Br\n0.771250 0.771250 0.228750 Br\n",
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"structure_string": "C4 N4 O10\n1.0\n4.017620 0.000000 0.000000\n0.459896 9.128018 0.000000\n0.048783 0.178663 10.211925\nC N O\n4 4 10\ndirect\n0.930296 0.543954 0.679209 C\n0.932214 0.456135 0.318522 C\n0.058376 0.955752 0.180814 C\n0.064206 0.044206 0.817108 C\n0.445166 0.618762 0.948770 N\n0.438693 0.382761 0.055615 N\n0.565349 0.883282 0.448988 N\n0.580626 0.115004 0.555278 N\n0.791414 0.444212 0.723883 O\n0.792418 0.558967 0.269175 O\n0.178519 0.054849 0.231458 O\n0.189091 0.942043 0.764011 O\n0.068840 0.643358 0.633943 O\n0.070907 0.353909 0.368943 O\n0.939787 0.856962 0.129127 O\n0.940791 0.145827 0.871083 O\n0.572283 0.999243 0.501956 O\n0.441022 0.500773 0.002119 O\n",
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"elements": [
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"updated_at": "2021-11-28T01:37:11.962000Z",
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{
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"created_at": "2022-09-04T14:45:53.890007Z",
"structure_string": "Li4 Ni4 O8\n1.0\n10.047800 0.040929 0.045893\n8.417966 5.486152 0.045902\n13.447123 4.024924 2.571188\nLi Ni O\n4 4 8\ndirect\n0.500003 0.500003 0.999996 Li\n0.999999 0.500003 0.499999 Li\n0.500003 0.999999 0.499999 Li\n0.499996 0.499996 0.500006 Li\n0.999998 0.999995 0.000005 Ni\n0.999997 0.500006 0.999998 Ni\n0.500004 0.999996 0.000000 Ni\n0.000007 0.000009 0.499989 Ni\n0.028101 0.028127 0.221750 O\n0.957881 0.457939 0.313184 O\n0.457953 0.957898 0.313161 O\n0.971895 0.971869 0.778255 O\n0.531084 0.531062 0.218881 O\n0.042117 0.542059 0.686818 O\n0.542046 0.042100 0.686841 O\n0.468916 0.468938 0.781119 O\n",
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"chemical_system": "Li-Ni-O",
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"formula_full": "Li4 Ni4 O8",
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"spacegroup": 74
},
{
"id": "mp-768612",
"created_at": "2022-09-04T14:45:53.895221Z",
"structure_string": "Li2 Cr2 As2 C2 O14\n1.0\n6.458714 0.000000 0.000000\n0.000000 5.173482 0.000000\n0.000000 0.597241 8.827727\nLi Cr As C O\n2 2 2 2 14\ndirect\n0.495757 0.782299 0.797512 Li\n0.995757 0.217701 0.202488 Li\n0.243206 0.200057 0.672223 Cr\n0.743206 0.799943 0.327777 Cr\n0.750162 0.281901 0.571880 As\n0.250162 0.718099 0.428120 As\n0.253815 0.271440 0.936423 C\n0.753815 0.728560 0.063577 C\n0.721367 0.675546 0.932404 O\n0.254694 0.038793 0.883518 O\n0.283026 0.453243 0.820539 O\n0.956382 0.201123 0.690112 O\n0.549712 0.165730 0.681896 O\n0.264258 0.860402 0.597997 O\n0.729856 0.609170 0.529857 O\n0.229856 0.390830 0.470143 O\n0.764258 0.139598 0.402003 O\n0.049712 0.834270 0.318104 O\n0.456382 0.798877 0.309888 O\n0.783026 0.546757 0.179461 O\n0.754694 0.961207 0.116482 O\n0.221367 0.324454 0.067596 O\n",
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"formula_full": "Li2 Cr2 As2 C2 O14",
"formula_reduced": "LiCrAsCO7",
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"updated_at": "2021-11-28T01:37:09.883000Z",
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}
]
}