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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=10225",
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"results": [
{
"id": "mp-1176099",
"created_at": "2022-09-04T14:45:43.208914Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.012614 0.000000 0.000000\n-1.683527 7.614701 0.000000\n-1.388172 -1.620201 7.624450\nLi Mn Co O\n9 2 5 16\ndirect\n0.502769 0.749928 0.751783 Li\n0.991282 0.373646 0.116654 Li\n0.508889 0.004046 0.503362 Li\n0.009894 0.882462 0.628716 Li\n0.493587 0.494741 0.994042 Li\n0.005701 0.127477 0.382289 Li\n0.992420 0.615173 0.872255 Li\n0.496146 0.251493 0.249742 Li\n0.002804 0.250165 0.753359 Li\n0.998071 0.000211 0.997662 Mn\n0.501556 0.625774 0.378341 Mn\n0.492119 0.876061 0.117859 Co\n0.003542 0.496996 0.501513 Co\n0.501144 0.131767 0.869057 Co\n0.996431 0.750632 0.246722 Co\n0.508502 0.370730 0.635829 Co\n0.761217 0.765831 0.006859 O\n0.241904 0.392210 0.375624 O\n0.759264 0.003152 0.779242 O\n0.238874 0.884219 0.882070 O\n0.750785 0.512651 0.261964 O\n0.282275 0.139272 0.633108 O\n0.247289 0.644347 0.122347 O\n0.726797 0.264524 0.507773 O\n0.252378 0.743626 0.489858 O\n0.734723 0.368174 0.872123 O\n0.225214 0.993693 0.225828 O\n0.747907 0.862635 0.369769 O\n0.272845 0.488110 0.730821 O\n0.747904 0.106582 0.120252 O\n0.758815 0.603389 0.624671 O\n0.246956 0.226277 0.998503 O\n",
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"elements": [
"Li",
"Mn",
"Co",
"O"
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 1
},
{
"id": "mp-1314",
"created_at": "2022-09-04T14:45:43.384993Z",
"structure_string": "Li96 Si56\n1.0\n8.531238 0.000000 0.000000\n0.000000 14.312682 0.000000\n0.000000 0.000000 19.622662\nLi Si\n96 56\ndirect\n0.661751 0.834148 0.250000 Li\n0.161751 0.665852 0.250000 Li\n0.838249 0.334148 0.750000 Li\n0.338249 0.165852 0.750000 Li\n0.613080 0.631190 0.250000 Li\n0.113080 0.868810 0.250000 Li\n0.886920 0.131190 0.750000 Li\n0.386920 0.368810 0.750000 Li\n0.496279 0.472434 0.375000 Li\n0.996279 0.027566 0.125000 Li\n0.003721 0.972434 0.625000 Li\n0.503721 0.527566 0.875000 Li\n0.503721 0.527566 0.625000 Li\n0.003721 0.972434 0.875000 Li\n0.996279 0.027566 0.375000 Li\n0.496279 0.472434 0.125000 Li\n0.842441 0.494911 0.388345 Li\n0.342441 0.005089 0.111655 Li\n0.657559 0.994911 0.611655 Li\n0.157559 0.505089 0.888345 Li\n0.157559 0.505089 0.611655 Li\n0.657559 0.994911 0.888345 Li\n0.342441 0.005089 0.388345 Li\n0.842441 0.494911 0.111655 Li\n0.877105 0.659589 0.165647 Li\n0.377105 0.840411 0.334353 Li\n0.622895 0.159589 0.834353 Li\n0.122895 0.340411 0.665647 Li\n0.122895 0.340411 0.834353 Li\n0.622895 0.159589 0.665647 Li\n0.377105 0.840411 0.165647 Li\n0.877105 0.659589 0.334353 Li\n0.370439 0.934319 0.972197 Li\n0.870439 0.565681 0.527803 Li\n0.129561 0.434319 0.027803 Li\n0.629561 0.065681 0.472197 Li\n0.629561 0.065681 0.027803 Li\n0.129561 0.434319 0.472197 Li\n0.870439 0.565681 0.972197 Li\n0.370439 0.934319 0.527803 Li\n0.630432 0.263484 0.112699 Li\n0.130432 0.236516 0.387301 Li\n0.869568 0.763484 0.887301 Li\n0.369568 0.736516 0.612699 Li\n0.369568 0.736516 0.887301 Li\n0.869568 0.763484 0.612699 Li\n0.130432 0.236516 0.112699 Li\n0.630432 0.263484 0.387301 Li\n0.366860 0.567358 0.995146 Li\n0.866860 0.932642 0.504854 Li\n0.133140 0.067358 0.004854 Li\n0.633140 0.432642 0.495146 Li\n0.633140 0.432642 0.004854 Li\n0.133140 0.067358 0.495146 Li\n0.866860 0.932642 0.995146 Li\n0.366860 0.567358 0.504854 Li\n0.371822 0.638839 0.145063 Li\n0.871822 0.861161 0.354937 Li\n0.128178 0.138839 0.854937 Li\n0.628178 0.361161 0.645063 Li\n0.628178 0.361161 0.854937 Li\n0.128178 0.138839 0.645063 Li\n0.871822 0.861161 0.145063 Li\n0.371822 0.638839 0.354937 Li\n0.870491 0.743668 0.031570 Li\n0.370491 0.756332 0.468430 Li\n0.629509 0.243668 0.968430 Li\n0.129509 0.256332 0.531570 Li\n0.129509 0.256332 0.968430 Li\n0.629509 0.243668 0.531570 Li\n0.370491 0.756332 0.031570 Li\n0.870491 0.743668 0.468430 Li\n0.137915 0.477849 0.328636 Li\n0.637915 0.022151 0.171364 Li\n0.362085 0.977849 0.671364 Li\n0.862085 0.522151 0.828636 Li\n0.862085 0.522151 0.671364 Li\n0.362085 0.977849 0.828636 Li\n0.637915 0.022151 0.328636 Li\n0.137915 0.477849 0.171364 Li\n0.862649 0.162568 0.311093 Li\n0.362649 0.337432 0.188907 Li\n0.637351 0.662568 0.688907 Li\n0.137351 0.837432 0.811093 Li\n0.137351 0.837432 0.688907 Li\n0.637351 0.662568 0.811093 Li\n0.362649 0.337432 0.311093 Li\n0.862649 0.162568 0.188907 Li\n0.608819 0.843372 0.812806 Li\n0.108819 0.656628 0.687194 Li\n0.891181 0.343372 0.187194 Li\n0.391181 0.156628 0.312806 Li\n0.391181 0.156628 0.187194 Li\n0.891181 0.343372 0.312806 Li\n0.108819 0.656628 0.812806 Li\n0.608819 0.843372 0.687194 Li\n0.615657 0.492192 0.750000 Si\n0.115657 0.007808 0.750000 Si\n0.884343 0.992192 0.250000 Si\n0.384343 0.507808 0.250000 Si\n0.122276 0.488039 0.750000 Si\n0.622276 0.011961 0.750000 Si\n0.377724 0.988039 0.250000 Si\n0.877724 0.511961 0.250000 Si\n0.371789 0.735461 0.750000 Si\n0.871789 0.764539 0.750000 Si\n0.128211 0.235461 0.250000 Si\n0.628211 0.264539 0.250000 Si\n0.367024 0.569558 0.750000 Si\n0.867024 0.930442 0.750000 Si\n0.132976 0.069558 0.250000 Si\n0.632976 0.430442 0.250000 Si\n0.123876 0.751950 0.367843 Si\n0.623876 0.748050 0.132157 Si\n0.376124 0.251950 0.632157 Si\n0.876124 0.248050 0.867843 Si\n0.876124 0.248050 0.632157 Si\n0.376124 0.251950 0.867843 Si\n0.623876 0.748050 0.367843 Si\n0.123876 0.751950 0.132157 Si\n0.106531 0.614015 0.434983 Si\n0.606531 0.885985 0.065017 Si\n0.393469 0.114015 0.565017 Si\n0.893469 0.385985 0.934983 Si\n0.893469 0.385985 0.565017 Si\n0.393469 0.114015 0.934983 Si\n0.606531 0.885985 0.434983 Si\n0.106531 0.614015 0.065017 Si\n0.117767 0.666445 0.550609 Si\n0.617767 0.833555 0.949391 Si\n0.382233 0.166445 0.449391 Si\n0.882233 0.333555 0.050609 Si\n0.882233 0.333555 0.449391 Si\n0.382233 0.166445 0.050609 Si\n0.617767 0.833555 0.550609 Si\n0.117767 0.666445 0.949391 Si\n0.119922 0.831416 0.553142 Si\n0.619922 0.668584 0.946858 Si\n0.380078 0.331416 0.446858 Si\n0.880078 0.168584 0.053142 Si\n0.880078 0.168584 0.446858 Si\n0.380078 0.331416 0.053142 Si\n0.619922 0.668584 0.553142 Si\n0.119922 0.831416 0.946858 Si\n0.131146 0.885834 0.439174 Si\n0.631146 0.614166 0.060826 Si\n0.368854 0.385834 0.560826 Si\n0.868854 0.114166 0.939174 Si\n0.868854 0.114166 0.560826 Si\n0.368854 0.385834 0.939174 Si\n0.631146 0.614166 0.439174 Si\n0.131146 0.885834 0.060826 Si\n",
"nsites": 152,
"nelements": 2,
"elements": [
"Li",
"Si"
],
"chemical_system": "Li-Si",
"density": 1.5518017566806515,
"density_atomic": 0.06343845313004094,
"volume": 2396.023113748043,
"volume_molar": 9.492887141581715,
"formula_full": "Li96 Si56",
"formula_reduced": "Li12Si7",
"formula_anonymous": "A7B12",
"energy": -520.81048617,
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"updated_at": "2021-11-28T01:37:17.878000Z",
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},
{
"id": "mp-1307582",
"created_at": "2022-09-04T14:45:43.388131Z",
"structure_string": "Na4 Fe4 H16 S4 O24 F4\n1.0\n-5.454171 0.001086 -5.050860\n5.301696 -0.003464 -9.528658\n0.002644 -7.508830 -0.001253\nNa Fe H S O F\n4 4 16 4 24 4\ndirect\n0.581340 0.714150 0.749859 Na\n0.081000 0.212779 0.749836 Na\n0.418680 0.285833 0.250176 Na\n0.918966 0.787267 0.250169 Na\n0.999897 0.500076 0.499857 Fe\n0.999938 0.500086 0.000147 Fe\n0.500041 0.000076 0.500087 Fe\n0.499921 0.999910 0.000028 Fe\n0.842414 0.033943 0.094089 H\n0.341309 0.535515 0.090939 H\n0.157563 0.965889 0.594036 H\n0.658897 0.464442 0.591105 H\n0.157629 0.966052 0.905915 H\n0.658784 0.464454 0.909064 H\n0.842376 0.034108 0.405982 H\n0.341221 0.535526 0.408903 H\n0.868577 0.937746 0.568909 H\n0.369187 0.437148 0.568160 H\n0.131302 0.062112 0.068941 H\n0.630638 0.562884 0.068092 H\n0.131382 0.062241 0.431105 H\n0.630903 0.562856 0.431799 H\n0.868717 0.937874 0.931065 H\n0.369424 0.437108 0.931949 H\n0.582132 0.229234 0.750068 S\n0.082251 0.730624 0.749829 S\n0.417824 0.770770 0.249941 S\n0.917764 0.269355 0.250171 S\n0.533985 0.373025 0.749877 O\n0.039415 0.874579 0.749669 O\n0.465991 0.626980 0.249981 O\n0.960569 0.125401 0.250334 O\n0.782803 0.179729 0.750305 O\n0.282828 0.677887 0.750049 O\n0.217154 0.820300 0.249677 O\n0.717188 0.322107 0.249966 O\n0.493440 0.188541 0.587872 O\n0.991741 0.691818 0.587595 O\n0.506764 0.811448 0.087785 O\n0.008520 0.308123 0.088125 O\n0.506550 0.811383 0.412138 O\n0.008241 0.308169 0.412420 O\n0.493165 0.188600 0.912208 O\n0.991449 0.691882 0.911867 O\n0.800159 0.961912 0.043738 O\n0.301095 0.461627 0.044753 O\n0.200196 0.037812 0.543668 O\n0.699274 0.538248 0.544668 O\n0.199840 0.038102 0.956251 O\n0.698918 0.538375 0.955255 O\n0.799782 0.962165 0.456336 O\n0.300758 0.461756 0.455317 O\n0.558529 0.921118 0.749979 F\n0.040664 0.426023 0.750300 F\n0.441489 0.078861 0.249947 F\n0.959416 0.573970 0.249699 F\n",
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"volume": 591.3131720041098,
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"formula_full": "Na4 Fe4 H16 S4 O24 F4",
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"spacegroup": 11
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{
"id": "mp-569084",
"created_at": "2022-09-04T14:45:43.500498Z",
"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n6.623267 0.000000 0.000000\n0.000000 4.433524 0.000000\n0.000000 0.193226 9.259794\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.393419 0.234301 0.157991 H\n0.384818 0.603373 0.076308 H\n0.655217 0.606408 0.897850 H\n0.893419 0.765699 0.842009 H\n0.884818 0.396627 0.923692 H\n0.155217 0.393592 0.102150 H\n0.272230 0.857073 0.586803 Au\n0.772230 0.142927 0.413197 Au\n0.773388 0.320680 0.601561 C\n0.273388 0.679320 0.398439 C\n0.804352 0.557280 0.852613 C\n0.304352 0.442720 0.147387 C\n0.282188 0.570905 0.284847 N\n0.782188 0.429095 0.715153 N\n0.780297 0.940730 0.188146 Cl\n0.280297 0.059270 0.811854 Cl\n",
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"N",
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],
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"volume": 271.9084171898083,
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"formula_full": "H6 Au2 C4 N2 Cl2",
"formula_reduced": "H3AuC2NCl",
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},
{
"id": "mp-694541",
"created_at": "2022-09-04T14:45:52.818191Z",
"structure_string": "Fe4 P4 O16\n1.0\n10.085357 0.000000 0.000000\n0.000000 5.223555 0.000000\n0.000000 5.151387 7.063485\nFe P O\n4 4 16\ndirect\n0.175292 0.792836 0.008366 Fe\n0.675292 0.207164 0.491634 Fe\n0.824708 0.207164 0.991634 Fe\n0.324708 0.792836 0.508366 Fe\n0.089017 0.524087 0.774855 P\n0.589017 0.475913 0.725145 P\n0.910983 0.475913 0.225145 P\n0.410983 0.524087 0.274855 P\n0.351952 0.640164 0.079953 O\n0.656327 0.790297 0.563755 O\n0.156327 0.209703 0.936245 O\n0.062192 0.528144 0.222089 O\n0.851952 0.359836 0.420047 O\n0.343673 0.209703 0.436245 O\n0.437808 0.528144 0.722089 O\n0.562192 0.471856 0.277911 O\n0.118652 0.779960 0.807627 O\n0.648048 0.359836 0.920047 O\n0.843673 0.790297 0.063755 O\n0.618652 0.220040 0.692373 O\n0.881348 0.220040 0.192373 O\n0.381348 0.779960 0.307627 O\n0.937808 0.471856 0.777911 O\n0.148048 0.640164 0.579953 O\n",
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"formula_full": "Fe4 P4 O16",
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},
{
"id": "mp-753141",
"created_at": "2022-09-04T14:45:52.821169Z",
"structure_string": "Li5 Cr2 O8\n1.0\n-1.749184 1.855577 4.483124\n6.158568 1.806741 4.443670\n-0.745284 5.310748 0.067297\nLi Cr O\n5 2 8\ndirect\n0.230572 0.180620 0.291747 Li\n0.011401 0.467895 0.759406 Li\n0.946651 0.564564 0.271606 Li\n0.743935 0.806254 0.722604 Li\n0.815434 0.985153 0.202110 Li\n0.396255 0.759244 0.297013 Cr\n0.597468 0.238340 0.708363 Cr\n0.742292 0.050357 0.847332 O\n0.509154 0.190984 0.466188 O\n0.288811 0.358253 0.956489 O\n0.854190 0.351569 0.561288 O\n0.150404 0.635416 0.474919 O\n0.692587 0.632334 0.027050 O\n0.590799 0.814738 0.452851 O\n0.194853 0.958056 0.202376 O\n",
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],
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"density": 2.37052125978421,
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"volume": 186.816780122709,
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"formula_full": "Li5 Cr2 O8",
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"energy": -99.54313513,
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{
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