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{
"id": "mp-1048881",
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"structure_string": "Ca2 La2 Cr2 Bi2 O12\n1.0\n5.881138 0.000000 0.000000\n0.000000 5.684345 0.000000\n0.000000 5.557992 8.193799\nCa La Cr Bi O\n2 2 2 2 12\ndirect\n0.806598 0.228822 0.252598 Ca\n0.193402 0.228822 0.752598 Ca\n0.305950 0.768014 0.249095 La\n0.694050 0.768014 0.749095 La\n0.249058 0.000518 0.500440 Cr\n0.750942 0.000518 0.000440 Cr\n0.246759 0.501082 0.998810 Bi\n0.753241 0.501082 0.498810 Bi\n0.799194 0.347834 0.766759 O\n0.036403 0.116829 0.063837 O\n0.061858 0.777133 0.438420 O\n0.563292 0.225736 0.061110 O\n0.536141 0.884437 0.435971 O\n0.294290 0.649590 0.732960 O\n0.200806 0.347834 0.266759 O\n0.963597 0.116829 0.563837 O\n0.938142 0.777133 0.938420 O\n0.436708 0.225736 0.561110 O\n0.463859 0.884437 0.935971 O\n0.705710 0.649590 0.232960 O\n",
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{
"id": "mp-1207911",
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"structure_string": "Y4 Ge6 Pt18\n1.0\n3.922529 6.770701 0.000000\n-3.922529 6.770701 0.000000\n0.000000 4.569146 9.045207\nY Ge Pt\n4 6 18\ndirect\n0.415683 0.244661 0.250674 Y\n0.584317 0.755339 0.749326 Y\n0.755339 0.584317 0.249326 Y\n0.244661 0.415683 0.750674 Y\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.639442 0.181595 0.497852 Ge\n0.360558 0.818405 0.502148 Ge\n0.818405 0.360558 0.002148 Ge\n0.181595 0.639442 0.997852 Ge\n0.295332 0.915627 0.257265 Pt\n0.704668 0.084373 0.742735 Pt\n0.084373 0.704668 0.242735 Pt\n0.915627 0.295332 0.757265 Pt\n0.477738 0.640388 0.077842 Pt\n0.522262 0.359612 0.922158 Pt\n0.359612 0.522262 0.422158 Pt\n0.640388 0.477738 0.577842 Pt\n0.866292 0.133708 0.250000 Pt\n0.133708 0.866292 0.750000 Pt\n0.802326 0.979976 0.070401 Pt\n0.197674 0.020024 0.929599 Pt\n0.020024 0.197674 0.429599 Pt\n0.979976 0.802326 0.570401 Pt\n0.693822 0.859711 0.421554 Pt\n0.306178 0.140289 0.578446 Pt\n0.140289 0.306178 0.078446 Pt\n0.859711 0.693822 0.921554 Pt\n",
"nsites": 28,
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],
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"density": 14.872009575407661,
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"volume": 480.45011792718003,
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"formula_full": "Y4 Ge6 Pt18",
"formula_reduced": "Y2(GePt3)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 15
},
{
"id": "mp-1517947",
"created_at": "2022-09-04T14:43:34.386878Z",
"structure_string": "Sr1 Eu1 Gd1 Ge1 O6\n1.0\n-0.000000 -4.091949 -4.091949\n4.091949 -0.000000 -4.091949\n4.091949 -4.091949 0.000000\nSr Eu Gd Ge O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Ge\n0.730809 0.269191 0.269191 O\n0.269191 0.730809 0.730809 O\n0.730809 0.269191 0.730809 O\n0.269191 0.730809 0.269191 O\n0.730809 0.730809 0.269191 O\n0.269191 0.269191 0.730809 O\n",
"nsites": 10,
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],
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"volume": 137.03156963387545,
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"formula_full": "Sr1 Eu1 Gd1 Ge1 O6",
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"spacegroup": 216
},
{
"id": "mp-705959",
"created_at": "2022-09-04T14:43:34.393807Z",
"structure_string": "V8 Sn16 H85 C32 O36\n1.0\n-12.867402 0.000000 0.000000\n-0.028810 -13.405023 0.000000\n-0.032856 -0.003789 13.643733\nV Sn H C O\n8 16 85 32 36\ndirect\n0.476473 0.748661 0.630130 V\n0.976238 0.248483 0.869808 V\n0.976207 0.751567 0.869757 V\n0.476729 0.251539 0.630277 V\n0.523164 0.748384 0.369239 V\n0.023211 0.248307 0.130938 V\n0.023471 0.751812 0.130423 V\n0.524301 0.253476 0.369494 V\n0.208102 0.746377 0.730589 Sn\n0.877762 0.999909 0.801501 Sn\n0.708154 0.246335 0.769445 Sn\n0.708137 0.753735 0.769430 Sn\n0.629896 0.000135 0.714419 Sn\n0.377981 0.500098 0.698282 Sn\n0.208380 0.254034 0.730029 Sn\n0.129638 0.500248 0.785681 Sn\n0.791511 0.746373 0.269805 Sn\n0.366274 0.996460 0.284370 Sn\n0.291837 0.244908 0.230006 Sn\n0.291414 0.752307 0.229483 Sn\n0.118470 0.000393 0.195963 Sn\n0.868979 0.499767 0.220229 Sn\n0.791900 0.253687 0.269909 Sn\n0.617633 0.499957 0.303395 Sn\n0.487304 0.433593 0.854378 H\n0.384305 0.566357 0.510926 H\n0.306109 0.887515 0.837186 H\n0.303546 0.771754 0.903023 H\n0.190487 0.850807 0.902212 H\n0.152807 0.840570 0.561068 H\n0.109786 0.567365 0.973511 H\n0.113281 0.712460 0.557725 H\n0.038066 0.800548 0.626125 H\n0.987326 0.066492 0.645316 H\n0.987479 0.933602 0.645300 H\n0.965616 0.432848 0.681317 H\n0.875797 0.000140 0.601497 H\n0.883658 0.066450 0.988918 H\n0.884162 0.933651 0.988993 H\n0.806170 0.387474 0.662636 H\n0.806366 0.612357 0.662569 H\n0.803775 0.271818 0.596694 H\n0.803697 0.728090 0.596698 H\n0.764149 0.999986 0.968471 H\n0.729148 0.999805 0.540928 H\n0.690698 0.350775 0.597862 H\n0.690770 0.649378 0.597898 H\n0.652673 0.340503 0.938869 H\n0.652837 0.659452 0.938851 H\n0.610306 0.067530 0.526628 H\n0.609992 0.932783 0.526610 H\n0.612983 0.212484 0.942455 H\n0.612858 0.787505 0.942526 H\n0.537912 0.300552 0.874150 H\n0.538024 0.699607 0.874063 H\n0.551023 0.999995 0.899252 H\n0.487191 0.566454 0.854405 H\n0.465310 0.067302 0.818993 H\n0.465501 0.932845 0.818879 H\n0.375582 0.500091 0.898484 H\n0.384370 0.433679 0.510974 H\n0.306672 0.112650 0.836971 H\n0.304253 0.228607 0.902592 H\n0.264370 0.500131 0.531854 H\n0.228946 0.499892 0.958751 H\n0.191244 0.150656 0.901224 H\n0.152996 0.159426 0.560974 H\n0.109927 0.432684 0.973472 H\n0.112941 0.287547 0.557404 H\n0.038246 0.199669 0.626291 H\n0.051358 0.500006 0.600809 H\n0.035099 0.432516 0.319059 H\n0.965368 0.567330 0.681189 H\n0.961575 0.804722 0.372632 H\n0.889401 0.713628 0.441717 H\n0.846072 0.840748 0.438461 H\n0.807901 0.850370 0.099595 H\n0.695666 0.771059 0.097569 H\n0.691107 0.887033 0.163374 H\n0.545235 0.058225 0.181901 H\n0.458104 0.989289 0.096087 H\n0.461396 0.304596 0.127234 H\n0.462112 0.694828 0.126440 H\n0.389931 0.213554 0.057904 H\n0.389433 0.786141 0.058273 H\n0.396094 0.060844 0.481170 H\n0.345800 0.340659 0.061868 H\n0.346976 0.658811 0.060508 H\n0.308876 0.349221 0.400476 H\n0.308624 0.649801 0.401299 H\n0.273783 0.987795 0.469299 H\n0.235408 0.990486 0.022909 H\n0.195676 0.271081 0.402746 H\n0.195757 0.728891 0.402266 H\n0.193714 0.386707 0.336215 H\n0.193289 0.612238 0.337642 H\n0.108756 0.055738 0.998220 H\n0.109769 0.000832 0.413551 H\n0.034813 0.567400 0.318962 H\n0.950076 0.500026 0.400694 H\n0.961813 0.195078 0.372797 H\n0.889430 0.286290 0.441818 H\n0.846231 0.159283 0.438530 H\n0.808992 0.150448 0.099013 H\n0.778944 0.500148 0.021144 H\n0.735450 0.499830 0.488858 H\n0.695602 0.228917 0.097534 H\n0.693827 0.112814 0.163357 H\n0.610525 0.499980 0.086109 H\n0.257495 0.824631 0.859733 C\n0.116587 0.780024 0.602854 C\n0.939455 0.000088 0.654638 C\n0.848445 0.999986 0.956687 C\n0.757626 0.324604 0.640179 C\n0.757685 0.675351 0.640183 C\n0.645618 0.000001 0.557100 C\n0.616360 0.280026 0.897258 C\n0.616397 0.720029 0.897254 C\n0.512593 0.000041 0.827401 C\n0.439307 0.500073 0.845104 C\n0.348670 0.500071 0.543282 C\n0.258391 0.176111 0.858966 C\n0.145414 0.499991 0.942903 C\n0.116616 0.220075 0.602691 C\n0.012718 0.500064 0.672747 C\n0.884104 0.781175 0.396581 C\n0.740517 0.824287 0.141251 C\n0.476947 0.011680 0.170976 C\n0.384166 0.280951 0.103155 C\n0.384558 0.718122 0.102716 C\n0.347217 0.012149 0.437075 C\n0.241731 0.323326 0.358786 C\n0.241624 0.675590 0.359196 C\n0.157602 0.011731 0.046945 C\n0.069471 0.998820 0.343058 C\n0.988409 0.499978 0.328726 C\n0.884305 0.218743 0.396717 C\n0.847149 0.499918 0.068509 C\n0.741692 0.176278 0.140995 C\n0.659944 0.500045 0.452030 C\n0.569076 0.500215 0.156126 C\n0.568418 0.821047 0.692325 O\n0.491523 0.629829 0.668910 O\n0.351934 0.786685 0.656171 O\n0.246888 0.598895 0.734841 O\n0.068217 0.320913 0.807330 O\n0.068402 0.678964 0.807329 O\n0.000598 0.255934 0.000591 O\n0.991949 0.129333 0.831404 O\n0.991430 0.870444 0.830742 O\n0.851814 0.286184 0.843890 O\n0.851954 0.713779 0.843885 O\n0.746898 0.098744 0.765102 O\n0.746946 0.901189 0.765085 O\n0.568666 0.178859 0.692585 O\n0.499772 0.241961 0.499363 O\n0.491499 0.370331 0.668863 O\n0.352269 0.213255 0.655736 O\n0.246972 0.401382 0.734629 O\n0.750857 0.598673 0.265164 O\n0.647154 0.786461 0.345192 O\n0.509556 0.627630 0.331141 O\n0.499534 0.757027 0.498931 O\n0.430837 0.822655 0.306913 O\n0.249911 0.098255 0.236545 O\n0.250199 0.900162 0.234550 O\n0.146905 0.286678 0.156205 O\n0.147287 0.712249 0.155716 O\n0.008151 0.128203 0.169792 O\n0.009822 0.872374 0.168585 O\n0.000200 0.743540 0.000540 O\n0.930904 0.321657 0.193052 O\n0.931121 0.679161 0.192759 O\n0.750821 0.401457 0.265203 O\n0.647976 0.213566 0.344384 O\n0.510300 0.374551 0.331779 O\n0.433022 0.181209 0.307389 O\n",
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"formula_full": "V8 Sn16 H85 C32 O36",
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{
"id": "mp-754246",
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"structure_string": "Ti2 Sn2 O6\n1.0\n6.967151 -2.570902 0.000000\n6.967151 2.570902 0.000000\n6.018480 0.000000 4.350704\nTi Sn O\n2 2 6\ndirect\n0.665273 0.665273 0.665273 Ti\n0.334727 0.334727 0.334727 Ti\n0.891905 0.891905 0.891905 Sn\n0.108095 0.108095 0.108095 Sn\n0.589041 0.946790 0.305689 O\n0.305689 0.589041 0.946790 O\n0.053210 0.694311 0.410959 O\n0.946790 0.305689 0.589041 O\n0.694311 0.410959 0.053210 O\n0.410959 0.053210 0.694311 O\n",
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"formula_full": "Ti2 Sn2 O6",
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{
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"structure_string": "Lu1 Zr1\n1.0\n1.688268 -2.924166 0.000000\n1.688268 2.924166 0.000000\n0.000000 0.000000 5.282854\nLu Zr\n1 1\ndirect\n0.333333 0.666667 0.000000 Lu\n0.666667 0.333333 0.500000 Zr\n",
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{
"id": "mp-1176035",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.167849 0.000000 0.000000\n-1.822899 -5.597452 0.000000\n-1.788648 0.316799 -9.902325\nLi Mn Co O\n9 2 5 16\ndirect\n0.501267 0.867296 0.125424 Li\n0.497918 0.122381 0.378991 Li\n0.498153 0.375751 0.627592 Li\n0.492875 0.612722 0.865761 Li\n0.501338 0.381196 0.121007 Li\n0.496389 0.630375 0.381728 Li\n0.508458 0.880607 0.630748 Li\n0.502339 0.133549 0.867123 Li\n0.001722 0.252987 0.751091 Li\n0.001762 0.001993 0.996662 Mn\n0.001705 0.250405 0.249599 Mn\n0.995377 0.491513 0.508931 Co\n0.999304 0.747624 0.749667 Co\n0.006893 0.497009 0.997599 Co\n0.994538 0.748779 0.249175 Co\n0.000507 0.003181 0.507587 Co\n0.779421 0.707182 0.072613 O\n0.769135 0.960430 0.314338 O\n0.762171 0.197764 0.555204 O\n0.779412 0.458071 0.827463 O\n0.788193 0.188321 0.063367 O\n0.781219 0.433763 0.300383 O\n0.759943 0.686836 0.563599 O\n0.769987 0.936259 0.827060 O\n0.214577 0.059637 0.187904 O\n0.229964 0.309388 0.424641 O\n0.236023 0.575441 0.684671 O\n0.221822 0.814580 0.946503 O\n0.227087 0.540578 0.178329 O\n0.208731 0.795178 0.424859 O\n0.231902 0.048799 0.676919 O\n0.239867 0.290405 0.943463 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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{
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"structure_string": "Li4 Nb2 O6\n1.0\n4.429164 2.693679 0.000000\n-4.429164 2.693679 0.000000\n0.000000 1.948014 4.826718\nLi Nb O\n4 2 6\ndirect\n0.737108 0.262892 0.750000 Li\n0.419924 0.580076 0.750000 Li\n0.580076 0.419924 0.250000 Li\n0.262892 0.737108 0.250000 Li\n0.084277 0.915723 0.750000 Nb\n0.915723 0.084277 0.250000 Nb\n0.840248 0.679067 0.503776 O\n0.679067 0.840248 0.003776 O\n0.000000 0.500000 0.000000 O\n0.320933 0.159752 0.996224 O\n0.500000 0.000000 0.500000 O\n0.159752 0.320933 0.496224 O\n",
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{
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{
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}