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{
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{
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"structure_string": "Li4 V5 Sn3 O16\n1.0\n-6.114634 0.000000 0.000000\n3.046450 5.335822 0.000000\n-0.050543 -0.097098 -9.732864\nLi V Sn O\n4 5 3 16\ndirect\n0.327888 0.651905 0.890883 Li\n0.012300 0.025073 0.992410 Li\n0.005025 0.012142 0.499721 Li\n0.666618 0.331486 0.395787 Li\n0.328259 0.663461 0.490195 V\n0.169013 0.337780 0.214335 V\n0.665843 0.327130 0.985981 V\n0.338116 0.168830 0.711409 V\n0.825150 0.165655 0.713540 V\n0.660874 0.829958 0.213569 Sn\n0.168787 0.830436 0.213261 Sn\n0.829825 0.660087 0.714200 Sn\n0.669496 0.841876 0.599724 O\n0.480482 0.963905 0.346205 O\n0.333617 0.665533 0.097011 O\n0.999055 0.000638 0.316507 O\n0.993261 0.005112 0.809839 O\n0.169503 0.842559 0.599866 O\n0.474940 0.515682 0.342417 O\n0.040387 0.517159 0.342077 O\n0.838535 0.675802 0.091353 O\n0.148040 0.320688 0.609597 O\n0.959195 0.469361 0.840694 O\n0.511993 0.467274 0.841145 O\n0.677128 0.328886 0.601269 O\n0.841669 0.169968 0.101846 O\n0.537563 0.043706 0.832601 O\n0.327737 0.167904 0.100397 O\n",
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"formula_full": "Li4 V5 Sn3 O16",
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{
"id": "mp-1209803",
"created_at": "2022-09-04T14:46:05.234806Z",
"structure_string": "Pr4 Al18 Rh6\n1.0\n3.865959 -6.598925 0.000000\n3.865959 6.598925 0.000000\n0.000000 0.000000 9.662389\nPr Al Rh\n4 18 6\ndirect\n0.994998 0.670040 0.750000 Pr\n0.005002 0.329960 0.250000 Pr\n0.670040 0.994998 0.750000 Pr\n0.329960 0.005002 0.250000 Pr\n0.130480 0.130480 0.750000 Al\n0.869520 0.869520 0.250000 Al\n0.004217 0.335238 0.572146 Al\n0.995783 0.664762 0.427854 Al\n0.995783 0.664762 0.072146 Al\n0.335238 0.004217 0.927854 Al\n0.004217 0.335238 0.927854 Al\n0.664762 0.995783 0.072146 Al\n0.664762 0.995783 0.427854 Al\n0.335238 0.004217 0.572146 Al\n0.334861 0.334861 0.046524 Al\n0.665139 0.665139 0.953476 Al\n0.665139 0.665139 0.546524 Al\n0.334861 0.334861 0.453476 Al\n0.338601 0.545535 0.750000 Al\n0.661399 0.454465 0.250000 Al\n0.545535 0.338601 0.750000 Al\n0.454465 0.661399 0.250000 Al\n0.670949 0.329051 0.500000 Rh\n0.329051 0.670949 0.500000 Rh\n0.329051 0.670949 0.000000 Rh\n0.670949 0.329051 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "mp-1188558",
"created_at": "2022-09-04T14:46:05.278302Z",
"structure_string": "Fe2 Cu4 Si2 S8\n1.0\n6.130129 0.000000 0.000000\n0.000000 6.386790 0.000000\n0.000000 0.000000 7.392817\nFe Cu Si S\n2 4 2 8\ndirect\n0.002019 0.154934 0.500000 Fe\n0.502019 0.845066 0.000000 Fe\n0.491762 0.325827 0.747472 Cu\n0.491762 0.325827 0.252528 Cu\n0.991762 0.674173 0.752528 Cu\n0.991762 0.674173 0.247472 Cu\n0.500975 0.828165 0.500000 Si\n0.000975 0.171835 0.000000 Si\n0.146558 0.824713 0.500000 S\n0.646558 0.175287 0.000000 S\n0.622838 0.145719 0.500000 S\n0.122838 0.854281 0.000000 S\n0.117043 0.331943 0.759489 S\n0.117043 0.331943 0.240511 S\n0.617043 0.668057 0.740511 S\n0.617043 0.668057 0.259489 S\n",
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"density": 3.8929457028967898,
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"formula_full": "Fe2 Cu4 Si2 S8",
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"updated_at": "2021-11-28T01:37:20.720000Z",
"spacegroup": 31
},
{
"id": "mp-1197944",
"created_at": "2022-09-04T14:46:05.280298Z",
"structure_string": "K8 Ce4 S12 O52\n1.0\n3.636393 10.599664 0.000000\n-3.636393 10.599664 0.000000\n0.000000 9.910725 15.397029\nK Ce S O\n8 4 12 52\ndirect\n0.438226 0.841380 0.709089 K\n0.158620 0.561774 0.290911 K\n0.595472 0.969274 0.838084 K\n0.030726 0.404528 0.161916 K\n0.990745 0.009255 0.000000 K\n0.373611 0.626389 0.500000 K\n0.059167 0.488792 0.729234 K\n0.511208 0.940833 0.270766 K\n0.433854 0.401717 0.914623 Ce\n0.598283 0.566146 0.085377 Ce\n0.916105 0.326205 0.579615 Ce\n0.673795 0.083895 0.420385 Ce\n0.441323 0.470572 0.723742 S\n0.529428 0.558677 0.276258 S\n0.915030 0.224015 0.772894 S\n0.775985 0.084970 0.227106 S\n0.572397 0.632141 0.904263 S\n0.367859 0.427603 0.095737 S\n0.054175 0.425751 0.945013 S\n0.574249 0.945825 0.054987 S\n0.640741 0.038901 0.612688 S\n0.961099 0.359259 0.387312 S\n0.481094 0.868809 0.500565 S\n0.131191 0.518906 0.499435 S\n0.393184 0.598537 0.763307 O\n0.401463 0.606816 0.236693 O\n0.287625 0.580456 0.682069 O\n0.419544 0.712375 0.317931 O\n0.467220 0.313125 0.801060 O\n0.686875 0.532780 0.198940 O\n0.635798 0.376149 0.660455 O\n0.623851 0.364202 0.339545 O\n0.808525 0.424233 0.713090 O\n0.575767 0.191475 0.286910 O\n0.054824 0.159980 0.807305 O\n0.840020 0.945176 0.192695 O\n0.021140 0.088201 0.717144 O\n0.911799 0.978860 0.282856 O\n0.766763 0.226647 0.847218 O\n0.773353 0.233237 0.152782 O\n0.457564 0.619302 0.895492 O\n0.380698 0.542436 0.104508 O\n0.724296 0.443903 0.959318 O\n0.556097 0.275704 0.040682 O\n0.436374 0.790375 0.954472 O\n0.209625 0.563626 0.045528 O\n0.662039 0.679596 0.818161 O\n0.320404 0.337961 0.181839 O\n0.202668 0.235548 0.920759 O\n0.764452 0.797332 0.079241 O\n0.921715 0.429175 0.031553 O\n0.570825 0.078285 0.968447 O\n0.159963 0.445351 0.961117 O\n0.554649 0.840037 0.038883 O\n0.936700 0.596666 0.879392 O\n0.403334 0.063300 0.120608 O\n0.661004 0.928395 0.575484 O\n0.071605 0.338996 0.424516 O\n0.644269 0.179753 0.529438 O\n0.820247 0.355731 0.470562 O\n0.446557 0.157144 0.671237 O\n0.842856 0.553443 0.328763 O\n0.803923 0.907980 0.654045 O\n0.092020 0.196077 0.345955 O\n0.563837 0.954215 0.445870 O\n0.045785 0.436163 0.554130 O\n0.293747 0.003706 0.561392 O\n0.996294 0.706253 0.438608 O\n0.629610 0.674581 0.555061 O\n0.325419 0.370390 0.444939 O\n0.447054 0.841542 0.446446 O\n0.158458 0.552946 0.553554 O\n0.022664 0.049447 0.569583 O\n0.950553 0.977336 0.430417 O\n0.119125 0.716523 0.897435 O\n0.283477 0.880875 0.102565 O\n",
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],
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{
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"structure_string": "Cs1 Rb2 Ga1 F6\n1.0\n0.000000 4.726243 4.726243\n4.726243 0.000000 4.726243\n4.726243 4.726243 0.000000\nCs Rb Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.795714 0.204286 0.204286 F\n0.204286 0.204286 0.795714 F\n0.204286 0.795714 0.795714 F\n0.204286 0.795714 0.204286 F\n0.795714 0.204286 0.795714 F\n0.795714 0.795714 0.204286 F\n",
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{
"id": "mp-777962",
"created_at": "2022-09-04T14:46:05.438124Z",
"structure_string": "Li8 Mn5 Fe3 B8 O24\n1.0\n5.240843 0.000000 0.000000\n-2.609938 4.546583 0.000000\n-0.354659 -0.520992 20.926206\nLi Mn Fe B O\n8 5 3 8 24\ndirect\n0.678659 0.651997 0.333637 Li\n0.653474 0.678222 0.084472 Li\n0.679165 0.651383 0.834071 Li\n0.650893 0.678832 0.583816 Li\n0.348835 0.337790 0.208373 Li\n0.337908 0.348796 0.458491 Li\n0.348338 0.338149 0.708791 Li\n0.338196 0.346916 0.958608 Li\n0.674086 0.005882 0.440655 Mn\n0.669120 0.003377 0.942404 Mn\n0.323347 0.003224 0.566156 Mn\n0.003290 0.322966 0.816580 Mn\n0.003006 0.671023 0.691414 Mn\n0.316141 0.002157 0.066970 Fe\n0.004166 0.320862 0.315345 Fe\n0.007309 0.666436 0.191288 Fe\n0.996047 0.338444 0.063725 B\n0.996941 0.341318 0.562896 B\n0.665900 0.004748 0.187976 B\n0.665550 0.004791 0.687956 B\n0.337704 0.996431 0.312474 B\n0.341372 0.997171 0.813061 B\n0.005910 0.665821 0.437122 B\n0.004332 0.665759 0.938584 B\n0.928871 0.256154 0.207828 O\n0.930535 0.247119 0.709058 O\n0.740523 0.070802 0.049627 O\n0.977021 0.584132 0.082695 O\n0.746744 0.069594 0.547733 O\n0.966074 0.578619 0.583483 O\n0.416595 0.029473 0.173243 O\n0.731021 0.641139 0.430169 O\n0.422506 0.038677 0.672676 O\n0.729903 0.641005 0.931170 O\n0.653023 0.736400 0.181425 O\n0.640213 0.730510 0.680656 O\n0.358870 0.270754 0.305846 O\n0.371566 0.272937 0.805962 O\n0.270420 0.359810 0.057145 O\n0.585008 0.978964 0.331572 O\n0.272772 0.371558 0.555607 O\n0.578921 0.966120 0.833737 O\n0.038877 0.423182 0.421456 O\n0.037829 0.422708 0.923228 O\n0.248567 0.930072 0.458518 O\n0.246438 0.929946 0.959829 O\n0.069731 0.742269 0.298281 O\n0.069476 0.746761 0.797992 O\n",
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{
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"structure_string": "La4 Ti4 O14\n1.0\n0.000000 5.243510 5.243510\n5.243510 0.000000 5.243510\n5.243510 5.243510 0.000000\nLa Ti O\n4 4 14\ndirect\n0.125000 0.125000 0.625000 La\n0.125000 0.625000 0.125000 La\n0.625000 0.125000 0.125000 La\n0.125000 0.125000 0.125000 La\n0.625000 0.625000 0.125000 Ti\n0.625000 0.125000 0.625000 Ti\n0.125000 0.625000 0.625000 Ti\n0.625000 0.625000 0.625000 Ti\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.552161 0.947839 0.552161 O\n0.302161 0.697839 0.302161 O\n0.552161 0.552161 0.947839 O\n0.947839 0.552161 0.552161 O\n0.552161 0.947839 0.947839 O\n0.947839 0.947839 0.552161 O\n0.947839 0.552161 0.947839 O\n0.697839 0.302161 0.302161 O\n0.302161 0.697839 0.697839 O\n0.697839 0.302161 0.697839 O\n0.302161 0.302161 0.697839 O\n0.697839 0.697839 0.302161 O\n",
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