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{
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"formula_full": "Fe4 P4 H20 C4 O32",
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{
"id": "mp-1044121",
"created_at": "2022-09-04T14:43:23.894683Z",
"structure_string": "La2 Mg2 Fe2 Sn2 O12\n1.0\n5.640877 0.000000 0.000000\n0.000000 5.440892 0.000000\n0.000000 5.353709 7.932512\nLa Mg Fe Sn O\n2 2 2 2 12\ndirect\n0.291588 0.236802 0.751238 La\n0.708412 0.236802 0.251238 La\n0.807900 0.776983 0.751488 Mg\n0.192100 0.776983 0.251488 Mg\n0.751740 0.999981 0.999907 Fe\n0.248260 0.999981 0.499907 Fe\n0.751573 0.498910 0.502928 Sn\n0.248427 0.498910 0.002928 Sn\n0.281993 0.391685 0.251079 O\n0.443365 0.119789 0.063805 O\n0.441340 0.753061 0.436183 O\n0.558660 0.753061 0.936183 O\n0.556635 0.119789 0.563805 O\n0.718007 0.391685 0.751079 O\n0.808444 0.658524 0.247634 O\n0.978187 0.848919 0.433674 O\n0.967883 0.215348 0.062064 O\n0.032117 0.215348 0.562064 O\n0.021813 0.848919 0.933674 O\n0.191556 0.658524 0.747634 O\n",
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"formula_full": "La2 Mg2 Fe2 Sn2 O12",
"formula_reduced": "LaMgFeSnO6",
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},
{
"id": "mp-1048931",
"created_at": "2022-09-04T14:43:38.610228Z",
"structure_string": "La2 Mg2 Cr2 Ni2 O12\n1.0\n5.434059 0.000000 0.000000\n0.000000 5.309811 0.000000\n0.000000 5.289864 7.682486\nLa Mg Cr Ni O\n2 2 2 2 12\ndirect\n0.203202 0.743301 0.250841 La\n0.796798 0.743301 0.750841 La\n0.695364 0.281765 0.238743 Mg\n0.304636 0.281765 0.738743 Mg\n0.261725 0.006955 0.499815 Cr\n0.738275 0.006955 0.999815 Cr\n0.248106 0.505258 0.999822 Ni\n0.751894 0.505258 0.499822 Ni\n0.695776 0.163594 0.759756 O\n0.492268 0.733448 0.057326 O\n0.467617 0.322761 0.450410 O\n0.937542 0.632942 0.060333 O\n0.960236 0.217227 0.444010 O\n0.228115 0.892753 0.738943 O\n0.304224 0.163594 0.259756 O\n0.507732 0.733448 0.557326 O\n0.532383 0.322761 0.950410 O\n0.062458 0.632942 0.560333 O\n0.039764 0.217227 0.944010 O\n0.771885 0.892753 0.238943 O\n",
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{
"id": "mp-1173788",
"created_at": "2022-09-04T14:44:28.491971Z",
"structure_string": "Na2 Ni4 Mo4 H5 O20\n1.0\n4.981479 -0.309896 2.743995\n-0.168967 5.824148 9.793077\n-0.501283 -1.761289 10.962941\nNa Ni Mo H O\n2 4 4 5 20\ndirect\n0.499680 0.498973 0.501466 Na\n0.500320 0.001027 0.498534 Na\n0.000000 0.250000 0.000000 Ni\n0.502280 0.000624 0.998281 Ni\n0.497720 0.499376 0.001719 Ni\n0.000000 0.750000 0.000000 Ni\n0.076375 0.179774 0.716985 Mo\n0.078163 0.680376 0.717819 Mo\n0.923625 0.320226 0.283015 Mo\n0.921837 0.819624 0.282181 Mo\n0.321132 0.049066 0.222091 H\n0.317439 0.547570 0.222235 H\n0.500000 0.750000 0.000000 H\n0.678868 0.450934 0.777909 H\n0.682561 0.952430 0.777765 H\n0.334977 0.126104 0.085217 O\n0.271033 0.277697 0.260411 O\n0.234923 0.377183 0.481953 O\n0.353985 0.637749 0.079414 O\n0.164474 0.137961 0.889896 O\n0.812770 0.005576 0.258125 O\n0.269224 0.775563 0.258851 O\n0.187230 0.494424 0.741875 O\n0.835526 0.362039 0.110104 O\n0.765077 0.122817 0.518047 O\n0.238148 0.877419 0.482688 O\n0.167080 0.638526 0.890654 O\n0.813081 0.506327 0.258563 O\n0.728967 0.222303 0.739589 O\n0.186919 0.993673 0.741437 O\n0.832920 0.861474 0.109346 O\n0.665023 0.373896 0.914783 O\n0.761852 0.622581 0.517312 O\n0.730776 0.724437 0.741149 O\n0.646015 0.862251 0.920586 O\n",
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{
"id": "mp-1080237",
"created_at": "2022-09-04T14:44:20.259296Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n1.699754 -2.944060 0.000000\n1.699754 2.944060 0.000000\n0.000000 0.000000 38.890445\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.000000 0.000000 0.330091 Te\n0.333333 0.666667 0.421337 Te\n0.333333 0.666667 0.518055 Te\n0.000000 0.000000 0.233368 Te\n0.000000 0.000000 0.093950 Mo\n0.000000 0.000000 0.469713 W\n0.333333 0.666667 0.281727 W\n0.333333 0.666667 0.657546 W\n0.000000 0.000000 0.699991 Se\n0.000000 0.000000 0.615088 Se\n0.333333 0.666667 0.055264 S\n0.333333 0.666667 0.132620 S\n",
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],
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"formula_full": "Te4 Mo1 W3 Se2 S2",
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{
"id": "mp-767719",
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"structure_string": "Li4 Ti2 Mn3 Ni3 O16\n1.0\n5.869618 0.057491 -0.094242\n-2.885024 4.996352 0.000370\n-0.152119 -0.087126 9.466100\nLi Ti Mn Ni O\n4 2 3 3 16\ndirect\n0.321021 0.660514 0.894687 Li\n0.990001 0.995043 0.992632 Li\n0.004891 0.002448 0.496274 Li\n0.664681 0.332335 0.394586 Li\n0.343962 0.672051 0.497039 Ti\n0.663357 0.331684 0.994288 Ti\n0.174563 0.831869 0.215716 Mn\n0.174591 0.342712 0.215725 Mn\n0.345330 0.172678 0.717779 Mn\n0.659853 0.829958 0.213049 Ni\n0.830028 0.661404 0.714150 Ni\n0.830045 0.168697 0.714148 Ni\n0.187359 0.844433 0.595267 O\n0.038414 0.519147 0.332795 O\n0.313383 0.656778 0.106367 O\n0.015219 0.007540 0.307597 O\n0.010961 0.005637 0.804182 O\n0.187563 0.343003 0.595227 O\n0.467477 0.961061 0.342352 O\n0.467562 0.506534 0.342295 O\n0.326443 0.163250 0.102651 O\n0.679892 0.840121 0.595365 O\n0.502345 0.468870 0.844935 O\n0.502253 0.033401 0.844925 O\n0.659489 0.329616 0.613277 O\n0.844504 0.665274 0.091641 O\n0.950380 0.475122 0.837208 O\n0.844437 0.179120 0.091679 O\n",
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{
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{
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"structure_string": "Sr1 Eu1 Cr1 Bi1 O6\n1.0\n0.000000 -4.104827 -4.104827\n4.104827 -0.000000 -4.104827\n4.104827 -4.104827 0.000000\nSr Eu Cr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Cr\n-0.000000 -0.000000 -0.000000 Bi\n0.743515 0.256485 0.256485 O\n0.256485 0.743515 0.743515 O\n0.743515 0.256485 0.743515 O\n0.256485 0.743515 0.256485 O\n0.743515 0.743515 0.256485 O\n0.256485 0.256485 0.743515 O\n",
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{
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{
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"structure_string": "Ba20 Mg6 Zr2 Ta12 O60\n1.0\n5.096773 -0.000000 2.942624\n1.698924 4.805284 2.942624\n-0.174048 -0.123071 59.153935\nBa Mg Zr Ta O\n20 6 2 12 60\ndirect\n0.254356 0.254356 0.023693 Ba\n0.250820 0.250820 0.124754 Ba\n0.246407 0.246407 0.226078 Ba\n0.753593 0.753593 0.073922 Ba\n0.236020 0.236020 0.329194 Ba\n0.749180 0.749180 0.175246 Ba\n0.231433 0.231433 0.430570 Ba\n0.745644 0.745644 0.276307 Ba\n0.724067 0.724067 0.382780 Ba\n0.244879 0.244879 0.526536 Ba\n0.249789 0.249789 0.625063 Ba\n0.740775 0.740775 0.477768 Ba\n0.748782 0.748782 0.575365 Ba\n0.251218 0.251218 0.724635 Ba\n0.259225 0.259225 0.822232 Ba\n0.750211 0.750211 0.674937 Ba\n0.275933 0.275933 0.917220 Ba\n0.755121 0.755121 0.773464 Ba\n0.768567 0.768567 0.869430 Ba\n0.763980 0.763980 0.970806 Ba\n0.980262 0.980262 0.405921 Mg\n0.994810 0.994810 0.501557 Mg\n0.999519 0.999519 0.600144 Mg\n0.000481 0.000481 0.699856 Mg\n0.005190 0.005190 0.798443 Mg\n0.019738 0.019738 0.894079 Mg\n0.001400 0.001400 0.099580 Zr\n0.998600 0.998600 0.200420 Zr\n0.004355 0.004355 0.998694 Ta\n0.503143 0.503143 0.049057 Ta\n0.995645 0.995645 0.301306 Ta\n0.500000 0.500000 0.150000 Ta\n0.496857 0.496857 0.250943 Ta\n0.491091 0.491091 0.352673 Ta\n0.493327 0.493327 0.452002 Ta\n0.498304 0.498304 0.550509 Ta\n0.500000 0.500000 0.650000 Ta\n0.501696 0.501696 0.749491 Ta\n0.506673 0.506673 0.847998 Ta\n0.508909 0.508909 0.947327 Ta\n0.259542 0.259542 0.073750 O\n0.245591 0.748381 0.025765 O\n0.259542 0.743418 0.073750 O\n0.748381 0.245591 0.025765 O\n0.743418 0.259542 0.073750 O\n0.748381 0.748381 0.025765 O\n0.255613 0.255613 0.174525 O\n0.256475 0.744387 0.125475 O\n0.255613 0.743525 0.174525 O\n0.744387 0.256475 0.125475 O\n0.743525 0.255613 0.174525 O\n0.744387 0.744387 0.125475 O\n0.251619 0.251619 0.274235 O\n0.256582 0.740458 0.226250 O\n0.740458 0.256582 0.226250 O\n0.251619 0.754409 0.274235 O\n0.754409 0.251619 0.274235 O\n0.740458 0.740458 0.226250 O\n0.269033 0.269033 0.370580 O\n0.259109 0.763093 0.321470 O\n0.763093 0.259109 0.321470 O\n0.269033 0.756136 0.370580 O\n0.756136 0.269033 0.370580 O\n0.763093 0.763093 0.321470 O\n0.259843 0.259843 0.473282 O\n0.267383 0.744927 0.424276 O\n0.744927 0.267383 0.424276 O\n0.259843 0.747493 0.473282 O\n0.747493 0.259843 0.473282 O\n0.744927 0.744927 0.424276 O\n0.258729 0.258729 0.573884 O\n0.261070 0.742218 0.525449 O\n0.258729 0.743699 0.573884 O\n0.742218 0.261070 0.525449 O\n0.743699 0.258729 0.573884 O\n0.742218 0.742218 0.525449 O\n0.258330 0.741498 0.625867 O\n0.258502 0.258502 0.674133 O\n0.741498 0.258330 0.625867 O\n0.258502 0.741670 0.674133 O\n0.741670 0.258502 0.674133 O\n0.741498 0.741498 0.625867 O\n0.257782 0.257782 0.774551 O\n0.256301 0.741271 0.726116 O\n0.741271 0.256301 0.726116 O\n0.257782 0.738930 0.774551 O\n0.738930 0.257782 0.774551 O\n0.741271 0.741271 0.726116 O\n0.252507 0.740157 0.826718 O\n0.255073 0.255073 0.875724 O\n0.255073 0.732617 0.875724 O\n0.740157 0.252507 0.826718 O\n0.740157 0.740157 0.826718 O\n0.732617 0.255073 0.875724 O\n0.243864 0.730967 0.929420 O\n0.236907 0.236907 0.978530 O\n0.730967 0.243864 0.929420 O\n0.236907 0.740891 0.978530 O\n0.740891 0.236907 0.978530 O\n0.730967 0.730967 0.929420 O\n",
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{
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}