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{
"id": "mp-1186199",
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{
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"formula_full": "Y2 Co2 W4 O16",
"formula_reduced": "YCo(WO4)2",
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{
"id": "mp-1357049",
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"structure_string": "Ba4 Zn2 Cu2 Ni4 F28\n1.0\n5.327474 0.000000 0.000000\n2.590290 6.932678 0.000000\n0.063104 0.016436 14.478308\nBa Zn Cu Ni F\n4 2 2 4 28\ndirect\n0.756628 0.387233 0.618512 Ba\n0.858439 0.386652 0.118765 Ba\n0.235024 0.604793 0.376845 Ba\n0.158951 0.606674 0.878662 Ba\n0.397187 0.047236 0.759639 Zn\n0.550385 0.038313 0.258426 Zn\n0.510392 0.000059 0.001433 Cu\n0.491477 0.998981 0.502807 Cu\n0.882936 0.227371 0.873878 Ni\n0.130166 0.767842 0.128693 Ni\n0.894901 0.218685 0.373069 Ni\n0.102868 0.770179 0.628433 Ni\n0.897397 0.964055 0.332648 F\n0.576155 0.223459 0.461929 F\n0.406222 0.770899 0.543098 F\n0.185859 0.519525 0.577642 F\n0.504828 0.096857 0.627771 F\n0.618748 0.904148 0.879062 F\n0.185319 0.233991 0.959842 F\n0.918372 0.017551 0.156420 F\n0.063220 0.321026 0.771187 F\n0.802153 0.487892 0.419048 F\n0.583561 0.241623 0.787641 F\n0.703697 0.491475 0.919039 F\n0.175502 0.236905 0.285554 F\n0.410324 0.757752 0.209208 F\n0.409003 0.097372 0.124315 F\n0.964206 0.657801 0.219498 F\n0.294808 0.845858 0.017175 F\n0.072856 0.018366 0.658911 F\n0.720467 0.151984 0.985577 F\n0.867165 0.848630 0.516955 F\n0.842753 0.761483 0.042570 F\n0.840758 0.746435 0.706921 F\n0.617789 0.316183 0.272264 F\n0.120928 0.153438 0.489082 F\n0.463491 0.906430 0.379733 F\n0.124929 0.969453 0.834538 F\n0.377013 0.659315 0.719086 F\n0.307300 0.517388 0.081590 F\n",
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"Ni",
"F"
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"formula_full": "Ba4 Zn2 Cu2 Ni4 F28",
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},
{
"id": "mp-973655",
"created_at": "2022-09-04T14:45:52.875953Z",
"structure_string": "Lu1 Si1 O3\n1.0\n3.680432 0.000000 0.000000\n0.000000 3.680432 0.000000\n0.000000 0.000000 3.680432\nLu Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Lu1 Si1 O3",
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"spacegroup": 221
},
{
"id": "mp-758590",
"created_at": "2022-09-04T14:45:52.877972Z",
"structure_string": "Mn1 V4 O12\n1.0\n5.324166 0.069941 -0.009113\n6.109382 9.050090 0.076991\n6.066366 6.221541 4.129376\nMn V O\n1 4 12\ndirect\n0.313081 0.000903 0.291746 Mn\n0.027326 0.022315 0.963229 V\n0.956409 0.484998 0.033566 V\n0.492187 0.988135 0.524400 V\n0.494906 0.527589 0.478793 V\n0.337905 0.281161 0.134654 O\n0.234288 0.105748 0.620514 O\n0.132664 0.306816 0.719964 O\n0.875645 0.174266 0.241677 O\n0.328730 0.803066 0.130608 O\n0.746040 0.393982 0.337830 O\n0.236940 0.662794 0.565756 O\n0.575576 0.188047 0.876730 O\n0.138357 0.803529 0.711320 O\n0.839137 0.684428 0.237427 O\n0.711509 0.891475 0.334791 O\n0.618599 0.680747 0.856296 O\n",
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"elements": [
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"formula_full": "Mn1 V4 O12",
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"formula_anonymous": "AB4C12",
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},
{
"id": "mp-850923",
"created_at": "2022-09-04T14:45:52.879337Z",
"structure_string": "Ti3 V3 P6 O24\n1.0\n7.430416 -4.340695 0.000000\n7.430416 4.340695 0.000000\n4.894671 0.000000 7.077776\nTi V P O\n3 3 6 24\ndirect\n0.644975 0.644975 0.644975 Ti\n0.856453 0.856453 0.856453 Ti\n0.354909 0.354909 0.354909 Ti\n0.999270 0.999270 0.999270 V\n0.141673 0.141673 0.141673 V\n0.501000 0.501000 0.501000 V\n0.955938 0.249816 0.542714 P\n0.542714 0.955938 0.249816 P\n0.249816 0.542714 0.955938 P\n0.749148 0.457155 0.043466 P\n0.457155 0.043466 0.749148 P\n0.043466 0.749148 0.457155 P\n0.497293 0.118021 0.315277 O\n0.315277 0.497293 0.118020 O\n0.118021 0.315277 0.497293 O\n0.941902 0.089598 0.739461 O\n0.990339 0.186759 0.391390 O\n0.761150 0.413131 0.565008 O\n0.739461 0.941902 0.089598 O\n0.565008 0.761150 0.413131 O\n0.815542 0.616820 0.998126 O\n0.413131 0.565008 0.761150 O\n0.904083 0.263161 0.054775 O\n0.616820 0.998126 0.815542 O\n0.391390 0.990339 0.186759 O\n0.089598 0.739461 0.941902 O\n0.587213 0.444439 0.238275 O\n0.186759 0.391390 0.990339 O\n0.444439 0.238275 0.587213 O\n0.263161 0.054775 0.904083 O\n0.238275 0.587213 0.444439 O\n0.998126 0.815542 0.616820 O\n0.054775 0.904083 0.263161 O\n0.884694 0.678916 0.508111 O\n0.678916 0.508111 0.884694 O\n0.508111 0.884694 0.678916 O\n",
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"spacegroup": 146
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{
"id": "mp-1076889",
"created_at": "2022-09-04T14:45:52.887470Z",
"structure_string": "La28 Sm4 V28 Cr4 O80\n1.0\n-0.020124 -0.017876 11.044417\n11.507048 0.038494 -0.021521\n-5.689455 16.103807 -5.536387\nLa Sm V Cr O\n28 4 28 4 80\ndirect\n0.305294 0.061872 0.115575 La\n0.308998 0.063140 0.618754 La\n0.312299 0.567144 0.621115 La\n0.813473 0.059040 0.613220 La\n0.809169 0.562035 0.117636 La\n0.811752 0.568544 0.618826 La\n0.198573 0.438018 0.389482 La\n0.199344 0.443610 0.891178 La\n0.197418 0.937614 0.386676 La\n0.194853 0.935231 0.880868 La\n0.698153 0.437779 0.389171 La\n0.692503 0.935311 0.384921 La\n0.691177 0.934544 0.879087 La\n0.059968 0.305498 0.113277 La\n0.060818 0.307092 0.614118 La\n0.061135 0.804392 0.618661 La\n0.554862 0.306759 0.109572 La\n0.557391 0.308933 0.614773 La\n0.551987 0.800685 0.112174 La\n0.559669 0.803267 0.618436 La\n0.443875 0.194144 0.382838 La\n0.444557 0.196121 0.884723 La\n0.442490 0.694453 0.381478 La\n0.440094 0.690124 0.881039 La\n0.947280 0.192686 0.384276 La\n0.949742 0.193413 0.887700 La\n0.946812 0.697359 0.383398 La\n0.946010 0.694181 0.880666 La\n0.310279 0.564652 0.113358 Sm\n0.811485 0.062741 0.106853 Sm\n0.697403 0.441631 0.894508 Sm\n0.059932 0.798100 0.108782 Sm\n0.004247 0.999148 0.498388 V\n0.003332 0.498793 0.497591 V\n0.505258 0.001562 0.501569 V\n0.508689 0.501524 0.999784 V\n0.504542 0.499984 0.499218 V\n0.254839 0.249932 0.001988 V\n0.254801 0.249894 0.499818 V\n0.255652 0.754346 0.001693 V\n0.253774 0.750039 0.498892 V\n0.759578 0.249096 0.000571 V\n0.755432 0.249354 0.500195 V\n0.753488 0.749162 0.498910 V\n0.113794 0.108148 0.247661 V\n0.121302 0.118914 0.750912 V\n0.125578 0.610211 0.246517 V\n0.114793 0.620048 0.749313 V\n0.615374 0.102738 0.245525 V\n0.615443 0.111974 0.752009 V\n0.615160 0.621478 0.248973 V\n0.617543 0.618644 0.754159 V\n0.354894 0.389827 0.248827 V\n0.355617 0.382526 0.752287 V\n0.349498 0.882355 0.250030 V\n0.368117 0.877935 0.752860 V\n0.856957 0.394834 0.248338 V\n0.855879 0.392045 0.752041 V\n0.855909 0.889444 0.244954 V\n0.870299 0.882938 0.752313 V\n0.004153 0.997408 0.001155 Cr\n0.004911 0.502182 0.000247 Cr\n0.509706 0.000733 0.002038 Cr\n0.759459 0.752710 0.002055 Cr\n0.116230 0.110829 0.476996 O\n0.114223 0.108215 0.977063 O\n0.113335 0.607984 0.472071 O\n0.114613 0.613255 0.977225 O\n0.615779 0.109781 0.475549 O\n0.617234 0.108668 0.974101 O\n0.615340 0.609705 0.475685 O\n0.623361 0.622493 0.978145 O\n0.140715 0.393774 0.026245 O\n0.138952 0.389302 0.522106 O\n0.139183 0.890728 0.030935 O\n0.139126 0.890310 0.523375 O\n0.644738 0.385457 0.026493 O\n0.639467 0.389125 0.523176 O\n0.648676 0.889139 0.028139 O\n0.639340 0.890459 0.524071 O\n0.368823 0.109060 0.475384 O\n0.372188 0.108782 0.977758 O\n0.368189 0.608295 0.473587 O\n0.366664 0.612589 0.975282 O\n0.866555 0.105858 0.474011 O\n0.865292 0.100813 0.976811 O\n0.867278 0.607231 0.472915 O\n0.867520 0.612677 0.976378 O\n0.386278 0.395256 0.024927 O\n0.389256 0.392351 0.520944 O\n0.396864 0.899107 0.030576 O\n0.391692 0.895011 0.525742 O\n0.890220 0.398057 0.024141 O\n0.890531 0.392448 0.522648 O\n0.895669 0.888981 0.029410 O\n0.889654 0.890098 0.519593 O\n0.065370 0.105335 0.124701 O\n0.066327 0.106943 0.625641 O\n0.079239 0.605832 0.124425 O\n0.070252 0.602855 0.623888 O\n0.593783 0.108440 0.128701 O\n0.577356 0.112423 0.630776 O\n0.569491 0.603303 0.130101 O\n0.571658 0.601456 0.627588 O\n0.447276 0.393638 0.369851 O\n0.468439 0.396100 0.870194 O\n0.444990 0.895492 0.372557 O\n0.447353 0.894988 0.878987 O\n0.942137 0.389220 0.367278 O\n0.948037 0.395143 0.873629 O\n0.949286 0.896687 0.367631 O\n0.947151 0.896571 0.877842 O\n0.332138 0.274800 0.131883 O\n0.332910 0.275596 0.630243 O\n0.327644 0.772672 0.130475 O\n0.324548 0.773506 0.627716 O\n0.838423 0.275406 0.133157 O\n0.829251 0.276182 0.634045 O\n0.839983 0.772185 0.127873 O\n0.825587 0.776610 0.627705 O\n0.185355 0.221023 0.368134 O\n0.190653 0.227820 0.872353 O\n0.190659 0.725944 0.368496 O\n0.191375 0.728678 0.873261 O\n0.696023 0.221878 0.366450 O\n0.702524 0.229636 0.869094 O\n0.687868 0.721272 0.368527 O\n0.703118 0.730643 0.878428 O\n0.431584 0.058673 0.250607 O\n0.434511 0.058647 0.752265 O\n0.430183 0.557969 0.243849 O\n0.432920 0.551170 0.750120 O\n0.909524 0.071060 0.242978 O\n0.927312 0.070419 0.751385 O\n0.937675 0.561079 0.250703 O\n0.931768 0.552900 0.749032 O\n0.168858 0.431694 0.251215 O\n0.170480 0.436251 0.750378 O\n0.154274 0.924514 0.242750 O\n0.184911 0.945759 0.747701 O\n0.670213 0.429727 0.250410 O\n0.672939 0.428129 0.758883 O\n0.672572 0.932949 0.249424 O\n0.686275 0.944899 0.747220 O\n",
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"volume": 2047.8860022283761,
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"formula_full": "La28 Sm4 V28 Cr4 O80",
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{
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