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{
"id": "mp-770343",
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"formula_full": "Li12 V4 B8 O24",
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},
{
"id": "mp-1001913",
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"structure_string": "Ho1 Bi1\n1.0\n3.883022 0.000000 0.000000\n0.000000 3.883022 0.000000\n0.000000 0.000000 3.883022\nHo Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Bi\n",
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"formula_full": "Ho1 Bi1",
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},
{
"id": "mp-1209722",
"created_at": "2022-09-04T14:39:09.395571Z",
"structure_string": "Sm10 Cu2 Pb6\n1.0\n4.777855 -8.275487 0.000000\n4.777855 8.275487 0.000000\n0.000000 0.000000 6.920722\nSm Cu Pb\n10 2 6\ndirect\n0.333333 0.666667 0.000000 Sm\n0.666667 0.333333 0.000000 Sm\n0.666667 0.333333 0.500000 Sm\n0.333333 0.666667 0.500000 Sm\n0.253004 0.000000 0.250000 Sm\n0.746996 0.000000 0.750000 Sm\n0.000000 0.253004 0.250000 Sm\n0.000000 0.746996 0.750000 Sm\n0.746996 0.746996 0.250000 Sm\n0.253004 0.253004 0.750000 Sm\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.611819 0.000000 0.250000 Pb\n0.388181 0.000000 0.750000 Pb\n0.000000 0.611819 0.250000 Pb\n0.000000 0.388181 0.750000 Pb\n0.388181 0.388181 0.250000 Pb\n0.611819 0.611819 0.750000 Pb\n",
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"density": 8.719902212480694,
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"volume": 547.2779192820303,
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"formula_full": "Sm10 Cu2 Pb6",
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},
{
"id": "mp-1074201",
"created_at": "2022-09-04T14:39:07.711545Z",
"structure_string": "Mg8 Si14\n1.0\n3.754041 0.000000 0.000000\n0.000000 6.733362 0.000000\n0.000000 3.295988 15.381404\nMg Si\n8 14\ndirect\n0.000000 0.133292 0.070259 Mg\n0.000000 0.233243 0.487634 Mg\n0.500000 0.019660 0.634574 Mg\n0.500000 0.496617 0.333804 Mg\n0.000000 0.577770 0.152943 Mg\n0.500000 0.798787 0.820162 Mg\n0.500000 0.499938 0.581423 Mg\n0.500000 0.949115 0.417104 Mg\n0.500000 0.471980 0.020835 Si\n0.500000 0.835531 0.033180 Si\n0.000000 0.960963 0.916171 Si\n0.000000 0.510072 0.912748 Si\n0.000000 0.633701 0.440210 Si\n0.000000 0.816447 0.556306 Si\n0.500000 0.384451 0.765783 Si\n0.500000 0.879468 0.188194 Si\n0.000000 0.207745 0.302006 Si\n0.500000 0.212475 0.918484 Si\n0.000000 0.145963 0.747476 Si\n0.500000 0.257258 0.193412 Si\n0.000000 0.839342 0.290221 Si\n0.000000 0.639849 0.713482 Si\n",
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"volume": 388.80062505674016,
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"formula_full": "Mg8 Si14",
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"spacegroup": 6
},
{
"id": "mp-1094456",
"created_at": "2022-09-04T14:39:09.059931Z",
"structure_string": "Mg2 Zn4\n1.0\n1.472128 5.407796 0.000000\n-1.472128 5.407796 0.000000\n0.000000 2.041790 6.470570\nMg Zn\n2 4\ndirect\n0.811911 0.811911 0.645465 Mg\n0.188089 0.188089 0.354535 Mg\n0.132962 0.132962 0.978203 Zn\n0.530729 0.530729 0.704536 Zn\n0.469271 0.469271 0.295464 Zn\n0.867038 0.867038 0.021797 Zn\n",
"nsites": 6,
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"elements": [
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{
"id": "mp-1039906",
"created_at": "2022-09-04T14:39:09.207772Z",
"structure_string": "Sr1 Mg30 Si1 O32\n1.0\n8.630373 0.000000 0.000000\n0.000000 8.630373 0.000000\n0.000000 0.000000 8.635503\nSr Mg Si O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246289 0.246289 0.000000 Mg\n0.246289 0.753711 0.000000 Mg\n0.753711 0.246289 0.000000 Mg\n0.753711 0.753711 0.000000 Mg\n0.249595 0.249595 0.500000 Mg\n0.249595 0.750405 0.500000 Mg\n0.750405 0.249595 0.500000 Mg\n0.750405 0.750405 0.500000 Mg\n0.000000 0.250920 0.252022 Mg\n0.000000 0.749080 0.252022 Mg\n0.500000 0.244848 0.255164 Mg\n0.500000 0.755152 0.255164 Mg\n0.000000 0.250920 0.747978 Mg\n0.000000 0.749080 0.747978 Mg\n0.500000 0.244848 0.744836 Mg\n0.500000 0.755152 0.744836 Mg\n0.250920 0.000000 0.252022 Mg\n0.244848 0.500000 0.255164 Mg\n0.749080 0.000000 0.252022 Mg\n0.755152 0.500000 0.255164 Mg\n0.250920 0.000000 0.747978 Mg\n0.244848 0.500000 0.744836 Mg\n0.749080 0.000000 0.747978 Mg\n0.755152 0.500000 0.744836 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.260916 O\n0.000000 0.500000 0.255277 O\n0.500000 0.000000 0.255277 O\n0.500000 0.500000 0.270199 O\n0.000000 0.000000 0.739084 O\n0.000000 0.500000 0.744723 O\n0.500000 0.000000 0.744723 O\n0.500000 0.500000 0.729801 O\n0.249690 0.249690 0.249474 O\n0.249690 0.750310 0.249474 O\n0.750310 0.249690 0.249474 O\n0.750310 0.750310 0.249474 O\n0.249690 0.249690 0.750526 O\n0.249690 0.750310 0.750526 O\n0.750310 0.249690 0.750526 O\n0.750310 0.750310 0.750526 O\n0.000000 0.256114 0.000000 O\n0.000000 0.743886 0.000000 O\n0.500000 0.230651 0.000000 O\n0.500000 0.769349 0.000000 O\n0.000000 0.250546 0.500000 O\n0.000000 0.749454 0.500000 O\n0.500000 0.246465 0.500000 O\n0.500000 0.753535 0.500000 O\n0.256114 0.000000 0.000000 O\n0.230651 0.500000 0.000000 O\n0.743886 0.000000 0.000000 O\n0.769349 0.500000 0.000000 O\n0.250546 0.000000 0.500000 O\n0.246465 0.500000 0.500000 O\n0.749454 0.000000 0.500000 O\n0.753535 0.500000 0.500000 O\n",
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"elements": [
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"formula_full": "Sr1 Mg30 Si1 O32",
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"spacegroup": 123
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{
"id": "mp-1234144",
"created_at": "2022-09-04T14:39:09.320239Z",
"structure_string": "Ca1 Si6 O12\n1.0\n5.756732 0.000000 2.026517\n2.513685 6.660741 2.049208\n0.635748 -0.245089 7.383872\nCa Si O\n1 6 12\ndirect\n0.495326 0.250000 0.750000 Ca\n0.375791 0.316039 0.305521 Si\n0.997351 0.183961 0.194479 Si\n0.624387 0.696665 0.680235 Si\n0.001286 0.803335 0.819765 Si\n0.995661 0.250000 0.750000 Si\n0.999912 0.750000 0.250000 Si\n0.740699 0.439900 0.728273 O\n0.908872 0.060100 0.771727 O\n0.246501 0.559090 0.276198 O\n0.081789 0.940910 0.223802 O\n0.258157 0.254323 0.561319 O\n0.073800 0.245677 0.938681 O\n0.319710 0.719691 0.727016 O\n0.766416 0.780309 0.772984 O\n0.678653 0.270973 0.292150 O\n0.241777 0.229027 0.207850 O\n0.927641 0.752517 0.061112 O\n0.741270 0.747483 0.438888 O\n",
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"formula_full": "Ca1 Si6 O12",
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"spacegroup": 5
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{
"id": "mp-756262",
"created_at": "2022-09-04T14:39:09.329734Z",
"structure_string": "K4 Li16 Cr4 O20\n1.0\n-0.980029 2.655811 4.841448\n-7.338310 -5.825011 -0.168797\n8.285357 -3.135196 5.240562\nK Li Cr O\n4 16 4 20\ndirect\n0.526078 0.916466 0.329261 K\n0.026077 0.416513 0.829253 K\n0.973959 0.583471 0.170714 K\n0.473970 0.083528 0.670747 K\n0.338723 0.778735 0.863687 Li\n0.838701 0.278752 0.363697 Li\n0.161289 0.721263 0.636310 Li\n0.661286 0.221260 0.136299 Li\n0.606696 0.939560 0.064295 Li\n0.106719 0.439570 0.564303 Li\n0.893279 0.560435 0.435702 Li\n0.393300 0.060441 0.935697 Li\n0.363987 0.265199 0.352110 Li\n0.863972 0.765178 0.852105 Li\n0.136027 0.234818 0.147887 Li\n0.636018 0.734796 0.647891 Li\n0.528171 0.650236 0.025452 Li\n0.028181 0.150241 0.525449 Li\n0.971819 0.849758 0.474546 Li\n0.471829 0.349760 0.974550 Li\n0.570960 0.438620 0.658977 Cr\n0.429011 0.561383 0.341121 Cr\n0.070958 0.938633 0.158924 Cr\n0.929044 0.061393 0.841067 Cr\n0.367772 0.591405 0.679006 O\n0.867754 0.091412 0.179018 O\n0.132238 0.908592 0.820976 O\n0.632242 0.408603 0.320994 O\n0.337276 0.086574 0.146765 O\n0.837265 0.586545 0.646737 O\n0.162702 0.413429 0.353250 O\n0.662721 0.913432 0.853229 O\n0.288295 0.784671 0.056693 O\n0.788312 0.284649 0.556678 O\n0.211679 0.715340 0.443313 O\n0.711704 0.215336 0.943318 O\n0.331697 0.284048 0.554245 O\n0.831748 0.784058 0.054267 O\n0.168264 0.215939 0.945733 O\n0.668246 0.715946 0.445743 O\n0.039386 0.950933 0.331849 O\n0.539437 0.450942 0.831769 O\n0.460598 0.549070 0.168219 O\n0.960611 0.049069 0.668152 O\n",
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"formula_full": "K4 Li16 Cr4 O20",
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{
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"structure_string": "Mn6 O7 F5\n1.0\n4.697247 0.000000 0.000000\n0.152869 5.580207 0.000000\n0.190242 0.546353 7.729421\nMn O F\n6 7 5\ndirect\n0.458941 0.487059 0.005909 Mn\n0.515751 0.844994 0.675007 Mn\n0.542946 0.177834 0.327733 Mn\n0.992480 0.323775 0.667722 Mn\n0.989833 0.658953 0.336702 Mn\n0.999080 0.007187 0.985726 Mn\n0.810331 0.376680 0.446459 O\n0.811236 0.035239 0.765281 O\n0.697772 0.207328 0.094961 O\n0.695677 0.874860 0.435303 O\n0.307372 0.460208 0.238356 O\n0.303945 0.794034 0.900852 O\n0.184682 0.285663 0.889685 O\n0.803693 0.712732 0.086715 F\n0.688348 0.523734 0.781576 F\n0.305864 0.141042 0.550071 F\n0.206340 0.628429 0.584275 F\n0.185710 0.960250 0.227666 F\n",
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{
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"elements": [
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{
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{
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"structure_string": "Mn6 O4 F8\n1.0\n3.604803 4.555221 0.000000\n-3.604803 4.555221 0.000000\n0.000000 2.444375 6.711967\nMn O F\n6 4 8\ndirect\n0.667188 0.667188 0.836087 Mn\n0.349412 0.349412 0.670491 Mn\n0.650588 0.650588 0.329509 Mn\n0.332812 0.332812 0.163913 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.570659 0.570659 0.627259 O\n0.241058 0.241058 0.960731 O\n0.758942 0.758942 0.039269 O\n0.429341 0.429341 0.372741 O\n0.639824 0.021762 0.673071 F\n0.978238 0.360176 0.326929 F\n0.878843 0.878843 0.305243 F\n0.121157 0.121157 0.694757 F\n0.360176 0.978238 0.326929 F\n0.021762 0.639824 0.673071 F\n0.692573 0.307427 0.000000 F\n0.307427 0.692573 0.000000 F\n",
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"elements": [
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],
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"density": 4.110201250208926,
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"formula_full": "Mn6 O4 F8",
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}