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{
"id": "mp-765596",
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"structure_string": "Li4 V8 O20 F4\n1.0\n4.986330 0.000000 0.000000\n0.000000 5.636659 0.000000\n0.000000 0.000000 14.068150\nLi V O F\n4 8 20 4\ndirect\n0.500000 0.950194 0.000000 Li\n0.000000 0.570748 0.000000 Li\n0.000000 0.049806 0.500000 Li\n0.500000 0.429252 0.500000 Li\n0.479674 0.392346 0.827698 V\n0.945287 0.065117 0.842854 V\n0.445287 0.934883 0.657146 V\n0.979674 0.607654 0.672302 V\n0.554713 0.934883 0.342854 V\n0.020326 0.607654 0.327698 V\n0.054713 0.065117 0.157146 V\n0.520326 0.392346 0.172302 V\n0.812815 0.866471 0.915722 O\n0.755971 0.342358 0.900229 O\n0.247293 0.137926 0.896316 O\n0.094654 0.393570 0.750259 O\n0.588075 0.120780 0.757288 O\n0.088075 0.879220 0.742712 O\n0.594654 0.606430 0.749741 O\n0.747293 0.862074 0.603684 O\n0.255971 0.657642 0.599771 O\n0.312815 0.133529 0.584278 O\n0.687185 0.133529 0.415722 O\n0.252707 0.862074 0.396316 O\n0.744029 0.657642 0.400229 O\n0.911925 0.879220 0.257288 O\n0.405346 0.606430 0.250259 O\n0.411925 0.120780 0.242712 O\n0.905346 0.393570 0.249741 O\n0.752707 0.137926 0.103684 O\n0.244029 0.342358 0.099771 O\n0.187185 0.866471 0.084278 O\n0.301768 0.594458 0.911534 F\n0.801768 0.405542 0.588466 F\n0.198232 0.405542 0.411534 F\n0.698232 0.594458 0.088466 F\n",
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{
"id": "mp-1210597",
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"structure_string": "Mn3 As1 N1\n1.0\n4.602155 0.000000 0.000000\n0.000000 4.602155 0.000000\n0.000000 0.000000 4.359620\nMn As N\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 N\n",
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"updated_at": "2021-11-28T01:37:38.809000Z",
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},
{
"id": "mp-1209292",
"created_at": "2022-09-04T14:46:37.657060Z",
"structure_string": "Sc12 In2 Co4\n1.0\n-4.419335 4.438816 4.665458\n4.419335 -4.438816 4.665458\n4.419335 4.438816 -4.665458\nSc In Co\n12 2 4\ndirect\n0.451608 0.235290 0.216318 Sc\n0.548392 0.764710 0.783682 Sc\n0.018972 0.235290 0.783682 Sc\n0.981028 0.764710 0.216318 Sc\n0.313024 0.611694 0.298670 Sc\n0.686976 0.388306 0.701330 Sc\n0.313024 0.014353 0.701330 Sc\n0.686976 0.985647 0.298670 Sc\n0.190354 0.284365 0.474720 Sc\n0.809646 0.715634 0.525280 Sc\n0.190354 0.715634 0.905989 Sc\n0.809646 0.284365 0.094011 Sc\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.370122 0.000000 0.370122 Co\n0.629878 0.000000 0.629878 Co\n0.118234 0.618234 0.500000 Co\n0.881766 0.381766 0.500000 Co\n",
"nsites": 18,
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"elements": [
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"spacegroup": 71
},
{
"id": "mp-581814",
"created_at": "2022-09-04T14:46:38.095266Z",
"structure_string": "Ca42 Mn8 Bi36\n1.0\n8.802649 8.775869 0.000000\n-8.802649 8.775869 0.000000\n0.000000 0.764153 17.204493\nCa Mn Bi\n42 8 36\ndirect\n0.242010 0.480772 0.433387 Ca\n0.232090 0.407568 0.655794 Ca\n0.089928 0.578866 0.240401 Ca\n0.939341 0.684770 0.882387 Ca\n0.251390 0.736408 0.579189 Ca\n0.256364 0.079305 0.840613 Ca\n0.592432 0.767910 0.844206 Ca\n0.736408 0.251390 0.079189 Ca\n0.407568 0.232090 0.155794 Ca\n0.486817 0.316469 0.564609 Ca\n0.920695 0.743636 0.659387 Ca\n0.428419 0.571581 0.250000 Ca\n0.422729 0.188740 0.378199 Ca\n0.578866 0.089928 0.740401 Ca\n0.266462 0.997909 0.062312 Ca\n0.421134 0.910072 0.259599 Ca\n0.002091 0.733538 0.437688 Ca\n0.811260 0.577271 0.121801 Ca\n0.004945 0.823261 0.073194 Ca\n0.577271 0.811260 0.621801 Ca\n0.513183 0.683531 0.435391 Ca\n0.263592 0.748610 0.920811 Ca\n0.188740 0.422729 0.878199 Ca\n0.060659 0.315230 0.117613 Ca\n0.315230 0.060659 0.617613 Ca\n0.997909 0.266462 0.562312 Ca\n0.571581 0.428419 0.750000 Ca\n0.519228 0.757990 0.066613 Ca\n0.176739 0.995055 0.426806 Ca\n0.757990 0.519228 0.566613 Ca\n0.748610 0.263592 0.420811 Ca\n0.995055 0.176739 0.926806 Ca\n0.683531 0.513183 0.935391 Ca\n0.079305 0.256364 0.340613 Ca\n0.684770 0.939341 0.382387 Ca\n0.823261 0.004945 0.573194 Ca\n0.480772 0.242010 0.933387 Ca\n0.743636 0.920695 0.159387 Ca\n0.733538 0.002091 0.937688 Ca\n0.316469 0.486817 0.064609 Ca\n0.910072 0.421134 0.759599 Ca\n0.767910 0.592432 0.344206 Ca\n0.360383 0.639617 0.750000 Mn\n0.639617 0.360383 0.250000 Mn\n0.998974 0.001026 0.750000 Mn\n0.841913 0.158087 0.750000 Mn\n0.153792 0.846208 0.750000 Mn\n0.846208 0.153792 0.250000 Mn\n0.001026 0.998974 0.250000 Mn\n0.158087 0.841913 0.250000 Mn\n0.242713 0.239316 0.000207 Bi\n0.080154 0.578637 0.036787 Bi\n0.079569 0.933557 0.599365 Bi\n0.745910 0.271845 0.625112 Bi\n0.920431 0.066443 0.400635 Bi\n0.578637 0.080154 0.536787 Bi\n0.239316 0.242713 0.500207 Bi\n0.919846 0.421363 0.963213 Bi\n0.220730 0.071628 0.245639 Bi\n0.779270 0.928372 0.754361 Bi\n0.040057 0.539546 0.579604 Bi\n0.728155 0.254090 0.874888 Bi\n0.071628 0.220730 0.745639 Bi\n0.610337 0.744430 0.253022 Bi\n0.255570 0.389663 0.246978 Bi\n0.539546 0.040057 0.079604 Bi\n0.254090 0.728155 0.374888 Bi\n0.760684 0.757287 0.499793 Bi\n0.460454 0.959943 0.920396 Bi\n0.447786 0.566515 0.604912 Bi\n0.382177 0.869778 0.741409 Bi\n0.928372 0.779270 0.254361 Bi\n0.933557 0.079569 0.099365 Bi\n0.959943 0.460454 0.420396 Bi\n0.433485 0.552214 0.895088 Bi\n0.757287 0.760684 0.999793 Bi\n0.389663 0.255570 0.746978 Bi\n0.421363 0.919846 0.463213 Bi\n0.566515 0.447786 0.104912 Bi\n0.130222 0.617823 0.758591 Bi\n0.869778 0.382177 0.241409 Bi\n0.552214 0.433485 0.395088 Bi\n0.744430 0.610337 0.753022 Bi\n0.271845 0.745910 0.125112 Bi\n0.617823 0.130222 0.258591 Bi\n0.066443 0.920431 0.900635 Bi\n",
"nsites": 86,
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"elements": [
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],
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"density": 6.02593343068327,
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"formula_full": "Ca42 Mn8 Bi36",
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"spacegroup": 15
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{
"id": "mp-1177139",
"created_at": "2022-09-04T14:46:38.096876Z",
"structure_string": "Li10 Fe4 P10 O36\n1.0\n6.513589 0.000000 0.000000\n-0.188883 9.300797 0.000000\n-0.553466 -1.134688 10.562779\nLi Fe P O\n10 4 10 36\ndirect\n0.985001 0.057694 0.871686 Li\n0.827006 0.129269 0.357060 Li\n0.124398 0.216213 0.660067 Li\n0.554863 0.278877 0.590425 Li\n0.344471 0.372084 0.865407 Li\n0.655529 0.627916 0.134593 Li\n0.445137 0.721123 0.409575 Li\n0.875602 0.783787 0.339933 Li\n0.172994 0.870731 0.642940 Li\n0.014999 0.942306 0.128314 Li\n0.668641 0.231868 0.054557 Fe\n0.232203 0.356262 0.403944 Fe\n0.767797 0.643738 0.596056 Fe\n0.331359 0.768132 0.945443 Fe\n0.486314 0.052103 0.799716 P\n0.222382 0.009843 0.402295 P\n0.170547 0.269141 0.105254 P\n0.833504 0.419037 0.826302 P\n0.721333 0.417526 0.349420 P\n0.278667 0.582474 0.650580 P\n0.166496 0.580963 0.173698 P\n0.829453 0.730859 0.894746 P\n0.777618 0.990157 0.597705 P\n0.513686 0.947897 0.200284 P\n0.970871 0.016081 0.686595 O\n0.662412 0.079891 0.902786 O\n0.419643 0.029825 0.321316 O\n0.736691 0.117660 0.523917 O\n0.672928 0.062688 0.167292 O\n0.392705 0.187367 0.755141 O\n0.221693 0.159012 0.482732 O\n0.987019 0.170240 0.050821 O\n0.016136 0.321757 0.817266 O\n0.235161 0.246534 0.239739 O\n0.672980 0.375813 0.919463 O\n0.357405 0.256348 0.022496 O\n0.920262 0.338116 0.383934 O\n0.542008 0.352331 0.417625 O\n0.735515 0.449507 0.695777 O\n0.250781 0.420222 0.596948 O\n0.678099 0.398252 0.202636 O\n0.077865 0.426287 0.104132 O\n0.922135 0.573713 0.895868 O\n0.321901 0.601748 0.797364 O\n0.749219 0.579778 0.403052 O\n0.264485 0.550493 0.304223 O\n0.457992 0.647669 0.582375 O\n0.079738 0.661884 0.616066 O\n0.642595 0.743652 0.977504 O\n0.327020 0.624187 0.080537 O\n0.764839 0.753466 0.760261 O\n0.983864 0.678243 0.182734 O\n0.012981 0.829760 0.949179 O\n0.778307 0.840988 0.517268 O\n0.607295 0.812633 0.244859 O\n0.327072 0.937312 0.832708 O\n0.263309 0.882340 0.476083 O\n0.580357 0.970175 0.678684 O\n0.337588 0.920109 0.097214 O\n0.029129 0.983919 0.313405 O\n",
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{
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"structure_string": "Li4 Mn2 Nb3 V3 O16\n1.0\n3.054240 5.286841 0.000000\n-3.054240 5.286841 0.000000\n0.000000 0.012236 10.070967\nLi Mn Nb V O\n4 2 3 3 16\ndirect\n0.334304 0.334304 0.098650 Li\n0.995493 0.995493 0.996492 Li\n0.991091 0.991091 0.508480 Li\n0.665324 0.665324 0.616167 Li\n0.341473 0.341473 0.514069 Mn\n0.673063 0.673063 0.987787 Mn\n0.170507 0.170507 0.782058 Nb\n0.834768 0.339477 0.284357 Nb\n0.339477 0.834768 0.284357 Nb\n0.659187 0.174257 0.787466 V\n0.174257 0.659187 0.787466 V\n0.832040 0.832040 0.286188 V\n0.690676 0.157188 0.391352 O\n0.482355 0.482355 0.672742 O\n0.324360 0.324360 0.901102 O\n0.003656 0.003656 0.686326 O\n0.002862 0.002862 0.180643 O\n0.157188 0.690676 0.391352 O\n0.481591 0.029715 0.669375 O\n0.029715 0.481591 0.669375 O\n0.846623 0.846623 0.887423 O\n0.156586 0.156586 0.398259 O\n0.969989 0.510262 0.173277 O\n0.510262 0.969989 0.173277 O\n0.661495 0.661495 0.399381 O\n0.843934 0.312741 0.896058 O\n0.514601 0.514601 0.172629 O\n0.312741 0.843934 0.896058 O\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Li4 Mn8 P4 O20\n1.0\n6.455922 0.000000 0.000000\n0.000000 7.829080 0.000000\n0.000000 0.000000 8.646026\nLi Mn P O\n4 8 4 20\ndirect\n0.541858 0.659821 0.613426 Li\n0.541858 0.840179 0.113426 Li\n0.041858 0.159821 0.886574 Li\n0.041858 0.340179 0.386574 Li\n0.980165 0.510809 0.002255 Mn\n0.480165 0.489191 0.997745 Mn\n0.750238 0.624936 0.334020 Mn\n0.750238 0.875064 0.834020 Mn\n0.480165 0.010809 0.497745 Mn\n0.980165 0.989191 0.502255 Mn\n0.250238 0.124936 0.165980 Mn\n0.250238 0.375064 0.665980 Mn\n0.254042 0.661037 0.342608 P\n0.254042 0.838963 0.842608 P\n0.754042 0.161037 0.157392 P\n0.754042 0.338963 0.657392 P\n0.294817 0.570763 0.498380 O\n0.444986 0.637029 0.233746 O\n0.061172 0.577458 0.263456 O\n0.721998 0.678675 0.988277 O\n0.223057 0.644994 0.869531 O\n0.223057 0.855006 0.369531 O\n0.721998 0.821325 0.488277 O\n0.444986 0.862971 0.733746 O\n0.061172 0.922542 0.763456 O\n0.294817 0.929237 0.998380 O\n0.794817 0.070763 0.001620 O\n0.944986 0.137029 0.266254 O\n0.561172 0.077458 0.236544 O\n0.221998 0.178675 0.511723 O\n0.723057 0.144994 0.630469 O\n0.723057 0.355006 0.130469 O\n0.221998 0.321325 0.011723 O\n0.944986 0.362971 0.766254 O\n0.561172 0.422542 0.736544 O\n0.794817 0.429237 0.501620 O\n",
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}