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{
"id": "mp-1044564",
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"structure_string": "Al4 Si2 Ni13 Sb2 O28\n1.0\n11.305326 2.718641 0.000000\n-11.305326 2.718641 0.000000\n0.000000 1.635103 8.638170\nAl Si Ni Sb O\n4 2 13 2 28\ndirect\n0.509584 0.938986 0.327681 Al\n0.061014 0.490416 0.672319 Al\n0.490416 0.061014 0.672319 Al\n0.938986 0.509584 0.327681 Al\n0.763164 0.763164 0.689886 Si\n0.236836 0.236836 0.310114 Si\n0.360009 0.072346 0.359137 Ni\n0.207434 0.346064 0.647665 Ni\n0.927654 0.639991 0.640863 Ni\n0.639991 0.927654 0.640863 Ni\n0.792566 0.653936 0.352335 Ni\n0.287253 0.712747 0.000000 Ni\n0.653936 0.792566 0.352335 Ni\n0.000000 0.000000 0.000000 Ni\n0.427979 0.572021 0.000000 Ni\n0.346064 0.207434 0.647665 Ni\n0.072346 0.360009 0.359137 Ni\n0.572021 0.427979 0.000000 Ni\n0.712747 0.287253 0.000000 Ni\n0.859762 0.140238 0.000000 Sb\n0.140238 0.859762 0.000000 Sb\n0.017185 0.315004 0.600422 O\n0.382207 0.827359 0.634608 O\n0.066059 0.066059 0.644582 O\n0.689598 0.689598 0.879679 O\n0.617793 0.172641 0.365392 O\n0.982815 0.684996 0.399578 O\n0.406593 0.986806 0.882435 O\n0.593407 0.013194 0.117565 O\n0.310402 0.310402 0.120321 O\n0.725873 0.874683 0.118583 O\n0.592065 0.712327 0.616504 O\n0.684996 0.982815 0.399578 O\n0.013194 0.593407 0.117565 O\n0.125317 0.274127 0.881417 O\n0.287673 0.407935 0.383496 O\n0.933941 0.933941 0.355418 O\n0.874683 0.725873 0.118583 O\n0.274127 0.125317 0.881417 O\n0.986806 0.406593 0.882435 O\n0.577032 0.864111 0.877652 O\n0.422968 0.135889 0.122348 O\n0.712327 0.592065 0.616504 O\n0.864111 0.577032 0.877652 O\n0.827359 0.382207 0.634608 O\n0.407935 0.287673 0.383496 O\n0.135889 0.422968 0.122348 O\n0.315004 0.017185 0.600422 O\n0.172641 0.617793 0.365392 O\n",
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"formula_full": "Al4 Si2 Ni13 Sb2 O28",
"formula_reduced": "Al4Si2Ni13(SbO14)2",
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},
{
"id": "mp-555399",
"created_at": "2022-09-04T14:46:25.102757Z",
"structure_string": "Sr2 Fe6 P6 O24\n1.0\n-3.309440 5.293773 6.807697\n3.309440 -5.293773 6.807697\n3.309440 5.293773 -6.807697\nSr Fe P O\n2 6 6 24\ndirect\n0.750000 0.149766 0.399766 Sr\n0.250000 0.850234 0.600234 Sr\n0.617558 0.617558 0.500000 Fe\n0.382442 0.382442 0.500000 Fe\n0.117558 0.617558 0.000000 Fe\n0.882442 0.382442 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.323490 0.823490 0.000000 P\n0.750000 0.655601 0.905601 P\n0.176510 0.176510 0.500000 P\n0.676510 0.176510 0.000000 P\n0.250000 0.344399 0.094399 P\n0.823490 0.823490 0.500000 P\n0.573502 0.931677 0.777554 O\n0.073502 0.295948 0.641825 O\n0.842469 0.883896 0.041427 O\n0.345877 0.704052 0.777554 O\n0.139461 0.204318 0.342198 O\n0.342469 0.301042 0.958573 O\n0.637880 0.702737 0.342198 O\n0.860539 0.795682 0.657802 O\n0.366170 0.489575 0.355745 O\n0.154123 0.931677 0.358175 O\n0.639461 0.297263 0.935143 O\n0.633830 0.510425 0.644255 O\n0.862120 0.204318 0.064857 O\n0.845877 0.068323 0.641825 O\n0.360539 0.702737 0.064857 O\n0.362120 0.297263 0.657802 O\n0.657531 0.698958 0.041427 O\n0.926498 0.704052 0.358175 O\n0.157531 0.116103 0.958573 O\n0.866170 0.510425 0.876595 O\n0.133830 0.489575 0.123405 O\n0.137880 0.795682 0.935143 O\n0.654123 0.295948 0.222446 O\n0.426498 0.068323 0.222446 O\n",
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],
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"formula_full": "Sr2 Fe6 P6 O24",
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},
{
"id": "mp-1044649",
"created_at": "2022-09-04T14:45:41.295215Z",
"structure_string": "Y4 Si2 Ni13 Sb2 O28\n1.0\n5.421811 -0.028444 1.322893\n1.624665 9.111431 0.394295\n-0.086293 -0.016972 12.179141\nY Si Ni Sb O\n4 2 13 2 28\ndirect\n0.071644 0.656283 0.411606 Y\n0.517025 0.343897 0.411404 Y\n0.927797 0.344342 0.588956 Y\n0.482595 0.655722 0.588267 Y\n0.239889 0.291159 0.999758 Si\n0.760398 0.708596 0.000484 Si\n0.921100 0.640226 0.740357 Ni\n0.660282 0.324612 0.123525 Ni\n0.335374 0.360907 0.739775 Ni\n0.078585 0.358996 0.260104 Ni\n0.338392 0.678045 0.876223 Ni\n0.290108 0.000539 0.418252 Ni\n0.217486 0.675507 0.122940 Ni\n0.000255 0.999994 0.000478 Ni\n0.430046 0.999371 0.142351 Ni\n0.782954 0.322232 0.877154 Ni\n0.664326 0.639809 0.260194 Ni\n0.571870 0.999629 0.856091 Ni\n0.706439 0.001665 0.580525 Ni\n0.861260 0.999989 0.278235 Sb\n0.138460 0.000067 0.720164 Sb\n0.725165 0.403708 0.254376 O\n0.122788 0.389895 0.417479 O\n0.945813 0.343829 0.999958 O\n0.302466 0.109543 0.999756 O\n0.876363 0.610011 0.582949 O\n0.275195 0.596654 0.745735 O\n0.007255 0.104053 0.585436 O\n0.992744 0.896346 0.412571 O\n0.698854 0.890212 0.000720 O\n0.125187 0.891418 0.148938 O\n0.307684 0.357054 0.110124 O\n0.023832 0.595953 0.254355 O\n0.404496 0.895904 0.585446 O\n0.726283 0.108942 0.149593 O\n0.583034 0.642612 0.111119 O\n0.054601 0.655343 0.999843 O\n0.274333 0.892594 0.849216 O\n0.874723 0.107834 0.849492 O\n0.594466 0.103609 0.413564 O\n0.130403 0.121966 0.282325 O\n0.868679 0.878485 0.716844 O\n0.417770 0.355744 0.888709 O\n0.411358 0.122370 0.715338 O\n0.539615 0.389921 0.582667 O\n0.690741 0.644934 0.889921 O\n0.588206 0.878268 0.281920 O\n0.975087 0.404689 0.746602 O\n0.459962 0.609813 0.417000 O\n",
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"elements": [
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],
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"formula_full": "Y4 Si2 Ni13 Sb2 O28",
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},
{
"id": "mp-744008",
"created_at": "2022-09-04T14:41:25.632297Z",
"structure_string": "Ca14 La6 Ti10 Cr10 O60\n1.0\n5.477016 0.008909 0.000000\n0.008963 5.520836 0.000000\n0.000000 0.000000 38.458876\nCa La Ti Cr O\n14 6 10 10 60\ndirect\n0.013701 0.967588 0.150000 Ca\n0.012269 0.967860 0.550434 Ca\n0.012269 0.967860 0.749566 Ca\n0.488884 0.462499 0.351224 Ca\n0.487950 0.460118 0.150000 Ca\n0.488884 0.462499 0.948776 Ca\n0.510478 0.540011 0.650000 Ca\n0.511132 0.537717 0.450390 Ca\n0.511132 0.537717 0.849610 Ca\n0.989075 0.032522 0.051456 Ca\n0.989075 0.032522 0.248544 Ca\n0.986821 0.032766 0.650000 Ca\n0.986884 0.033789 0.452382 Ca\n0.986884 0.033789 0.847618 Ca\n0.007633 0.974457 0.350405 La\n0.007633 0.974457 0.949595 La\n0.491030 0.468486 0.550120 La\n0.491030 0.468486 0.749880 La\n0.507214 0.530238 0.050295 La\n0.507214 0.530238 0.249705 La\n0.000273 0.498993 0.999615 Ti\n0.001656 0.499723 0.101411 Ti\n0.001656 0.499723 0.198589 Ti\n0.000273 0.498993 0.300385 Ti\n0.998566 0.499351 0.402170 Ti\n0.996821 0.501281 0.499836 Ti\n0.997394 0.500834 0.601350 Ti\n0.997394 0.500834 0.698650 Ti\n0.998566 0.499351 0.897830 Ti\n0.996821 0.501281 0.800164 Ti\n0.501125 0.999609 0.101190 Cr\n0.500729 0.999778 0.000151 Cr\n0.500729 0.999778 0.299849 Cr\n0.501125 0.999609 0.198810 Cr\n0.498684 0.999539 0.401685 Cr\n0.499378 0.999942 0.499713 Cr\n0.498741 0.000130 0.601035 Cr\n0.498741 0.000130 0.698965 Cr\n0.498684 0.999539 0.898315 Cr\n0.499378 0.999942 0.800287 Cr\n0.070923 0.483481 0.050219 O\n0.070923 0.483481 0.249781 O\n0.085208 0.478448 0.449618 O\n0.085208 0.475293 0.650000 O\n0.085208 0.478448 0.850382 O\n0.218274 0.224188 0.191034 O\n0.225342 0.223133 0.391661 O\n0.220629 0.222714 0.590963 O\n0.218274 0.224188 0.108966 O\n0.224102 0.227871 0.308233 O\n0.216537 0.222931 0.791072 O\n0.224102 0.227871 0.991767 O\n0.216537 0.222931 0.508928 O\n0.220629 0.222714 0.709037 O\n0.225342 0.223133 0.908339 O\n0.279016 0.716503 0.308460 O\n0.279835 0.714967 0.108512 O\n0.279835 0.714967 0.191488 O\n0.278404 0.721299 0.391362 O\n0.274781 0.719442 0.507705 O\n0.276605 0.719537 0.592252 O\n0.276605 0.719537 0.707748 O\n0.278404 0.721299 0.908638 O\n0.279016 0.716503 0.991540 O\n0.274781 0.719442 0.792295 O\n0.415063 0.985784 0.050992 O\n0.415063 0.985784 0.249008 O\n0.415821 0.982590 0.650000 O\n0.414976 0.982273 0.851399 O\n0.414976 0.982273 0.448601 O\n0.574982 0.017437 0.351703 O\n0.584632 0.012599 0.550663 O\n0.585553 0.016760 0.150000 O\n0.584632 0.012599 0.749337 O\n0.574982 0.017437 0.948297 O\n0.729486 0.277013 0.007725 O\n0.722584 0.280426 0.092144 O\n0.722584 0.280426 0.207856 O\n0.729486 0.277013 0.292275 O\n0.725469 0.278662 0.408644 O\n0.719445 0.284598 0.608402 O\n0.719235 0.285489 0.808465 O\n0.725469 0.278662 0.891356 O\n0.719235 0.285489 0.491535 O\n0.719445 0.284598 0.691598 O\n0.779183 0.776280 0.090971 O\n0.785234 0.777638 0.291375 O\n0.779583 0.773345 0.491189 O\n0.780669 0.775278 0.691125 O\n0.785234 0.777638 0.008625 O\n0.779183 0.776280 0.209029 O\n0.783639 0.782414 0.891096 O\n0.783639 0.782414 0.408904 O\n0.780669 0.775278 0.608875 O\n0.779583 0.773345 0.808811 O\n0.913141 0.524067 0.150000 O\n0.919885 0.513637 0.350282 O\n0.929459 0.516273 0.550057 O\n0.929459 0.516273 0.749943 O\n0.919885 0.513637 0.949718 O\n",
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"formula_full": "Ca14 La6 Ti10 Cr10 O60",
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{
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"structure_string": "Fe6 O2 F10\n1.0\n3.429844 4.661179 0.000000\n-3.429844 4.661179 0.000000\n0.000000 2.531253 7.019112\nFe O F\n6 2 10\ndirect\n0.325667 0.325667 0.145318 Fe\n0.658780 0.658780 0.349789 Fe\n0.343992 0.343992 0.682430 Fe\n0.664926 0.664926 0.823992 Fe\n0.000655 0.000655 0.504637 Fe\n0.004627 0.004627 0.002418 Fe\n0.230240 0.230240 0.971385 O\n0.579024 0.579024 0.610809 O\n0.976602 0.372569 0.323662 F\n0.638118 0.036548 0.665388 F\n0.103775 0.103775 0.698801 F\n0.755064 0.755064 0.051815 F\n0.441268 0.441268 0.345498 F\n0.887194 0.887194 0.308679 F\n0.036548 0.638118 0.665388 F\n0.372569 0.976602 0.323662 F\n0.686565 0.294387 0.013164 F\n0.294387 0.686565 0.013164 F\n",
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{
"id": "mp-753222",
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"structure_string": "Fe4 Co2 O8\n1.0\n-4.281646 -4.281646 0.000000\n-4.281646 0.000000 -4.281646\n0.000000 -4.281646 -4.281646\nFe Co O\n4 2 8\ndirect\n0.875000 0.375000 0.375000 Fe\n0.375000 0.875000 0.375000 Fe\n0.375000 0.375000 0.875000 Fe\n0.375000 0.375000 0.375000 Fe\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Co\n0.593320 0.135560 0.135560 O\n0.135560 0.593320 0.135560 O\n0.135560 0.135560 0.593320 O\n0.135560 0.135560 0.135560 O\n0.156680 0.614440 0.614440 O\n0.614440 0.156680 0.614440 O\n0.614440 0.614440 0.156680 O\n0.614440 0.614440 0.614440 O\n",
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{
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{
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"density": 5.30493854949021,
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"formula_full": "Fe4 Co2 O8",
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{
"id": "mp-1100549",
"created_at": "2022-09-04T14:41:20.899401Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.363532 0.000000 0.000000\n-2.130635 -5.639807 0.000000\n-2.120832 0.214034 -9.906185\nLi Mn O\n9 7 16\ndirect\n0.989977 0.866544 0.120654 Li\n0.001673 0.622834 0.373470 Li\n0.500000 0.000000 0.000000 Li\n0.491313 0.752918 0.248894 Li\n0.010023 0.133456 0.879346 Li\n0.508687 0.247082 0.751106 Li\n0.998327 0.377166 0.626530 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.999485 0.374812 0.123708 Mn\n0.000515 0.625188 0.876292 Mn\n0.999334 0.124177 0.373954 Mn\n0.000666 0.875823 0.626046 Mn\n0.499726 0.253353 0.246879 Mn\n0.500000 0.000000 0.500000 Mn\n0.500274 0.746647 0.753121 Mn\n0.218231 0.674855 0.058026 O\n0.223911 0.425122 0.306108 O\n0.764987 0.787177 0.921946 O\n0.765536 0.525716 0.182212 O\n0.228094 0.927317 0.812205 O\n0.723762 0.048296 0.682730 O\n0.221795 0.176169 0.559793 O\n0.724205 0.298783 0.432461 O\n0.771906 0.072683 0.187795 O\n0.778205 0.823831 0.440207 O\n0.235013 0.212823 0.078054 O\n0.276238 0.951704 0.317270 O\n0.781769 0.325145 0.941974 O\n0.234464 0.474284 0.817788 O\n0.776089 0.574878 0.693892 O\n0.275795 0.701217 0.567539 O\n",
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"formula_full": "Li9 Mn7 O16",
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{
"id": "mp-1247579",
"created_at": "2022-09-04T14:40:57.728021Z",
"structure_string": "Sr1 Ca7 Mn6 Cr2 O22\n1.0\n7.723363 -0.041239 0.005552\n-0.041028 7.714087 0.003305\n0.005530 0.003362 7.666069\nSr Ca Mn Cr O\n1 7 6 2 22\ndirect\n0.250576 0.252215 0.234312 Sr\n0.248579 0.251312 0.740886 Ca\n0.251589 0.748102 0.248336 Ca\n0.249752 0.750801 0.734981 Ca\n0.746426 0.248392 0.234100 Ca\n0.748054 0.243867 0.733423 Ca\n0.749221 0.749319 0.249631 Ca\n0.751919 0.750780 0.712810 Ca\n0.998652 0.999962 0.505551 Mn\n0.995356 0.505584 0.004284 Mn\n0.997864 0.501047 0.495012 Mn\n0.501648 0.998823 0.494733 Mn\n0.506794 0.507140 0.986404 Mn\n0.502731 0.502033 0.509796 Mn\n0.993165 0.991929 0.988091 Cr\n0.504290 0.992439 0.003365 Cr\n0.958292 0.961517 0.756884 O\n0.028995 0.471875 0.251812 O\n0.967778 0.533978 0.751775 O\n0.467779 0.032639 0.256295 O\n0.538695 0.963310 0.745305 O\n0.536671 0.544449 0.752385 O\n0.240476 0.999449 0.981751 O\n0.248857 0.995659 0.531486 O\n0.254383 0.498347 0.981972 O\n0.253104 0.504918 0.520992 O\n0.760062 0.995190 0.054233 O\n0.755300 0.007991 0.449995 O\n0.744768 0.504166 0.053833 O\n0.744471 0.493547 0.453160 O\n0.991769 0.240108 0.995817 O\n0.002292 0.249239 0.532890 O\n0.006065 0.759858 0.059411 O\n0.000072 0.755018 0.454998 O\n0.510748 0.258236 0.991328 O\n0.498496 0.252469 0.535329 O\n0.494082 0.739081 0.061130 O\n0.500228 0.745211 0.451503 O\n",
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"formula_full": "Sr1 Ca7 Mn6 Cr2 O22",
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{
"id": "mp-774366",
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"structure_string": "Li6 Mn2 Fe4 B6 O18\n1.0\n6.287816 0.000000 0.000000\n0.000000 8.261999 0.000000\n0.000000 4.129879 7.161992\nLi Mn Fe B O\n6 2 4 6 18\ndirect\n0.749641 0.715564 0.301631 Li\n0.250359 0.715564 0.301631 Li\n0.749027 0.983176 0.715111 Li\n0.250973 0.983176 0.715111 Li\n0.248765 0.301436 0.984200 Li\n0.751235 0.301436 0.984200 Li\n0.500000 0.626636 0.012270 Mn\n0.000000 0.360386 0.627112 Mn\n0.000000 0.634169 0.006733 Fe\n0.500000 0.358852 0.634209 Fe\n0.000000 0.007959 0.360079 Fe\n0.500000 0.008130 0.359333 Fe\n0.000000 0.999451 0.003484 B\n0.500000 0.001677 0.998383 B\n0.749969 0.667761 0.665072 B\n0.250031 0.667761 0.665072 B\n0.749967 0.331890 0.333878 B\n0.250033 0.331890 0.333878 B\n0.500000 0.892469 0.192113 O\n0.000000 0.888398 0.196969 O\n0.749754 0.861922 0.557450 O\n0.250246 0.861922 0.557450 O\n0.000000 0.914928 0.892538 O\n0.500000 0.919361 0.887611 O\n0.745859 0.560057 0.579243 O\n0.254141 0.560057 0.579243 O\n0.754286 0.581633 0.858714 O\n0.245714 0.581633 0.858714 O\n0.752826 0.525780 0.220630 O\n0.247174 0.525780 0.220630 O\n0.000000 0.192490 0.920197 O\n0.500000 0.196644 0.915086 O\n0.750295 0.218082 0.253842 O\n0.249705 0.218082 0.253842 O\n0.253217 0.251925 0.527171 O\n0.746783 0.251925 0.527171 O\n",
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{
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]
}