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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=71",
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"results": [
{
"id": "mp-20726",
"created_at": "2022-09-04T14:47:25.900082Z",
"structure_string": "Sr4 Ca4 Sn4\n1.0\n5.187895 0.000000 0.000000\n0.000000 8.442460 0.000000\n0.000000 0.000000 9.692768\nSr Ca Sn\n4 4 4\ndirect\n0.750000 0.978484 0.682061 Sr\n0.250000 0.021516 0.317939 Sr\n0.750000 0.478484 0.817939 Sr\n0.250000 0.521516 0.182061 Sr\n0.750000 0.850277 0.070162 Ca\n0.250000 0.149723 0.929838 Ca\n0.750000 0.350277 0.429838 Ca\n0.250000 0.649723 0.570162 Ca\n0.750000 0.736998 0.390030 Sn\n0.250000 0.263002 0.609970 Sn\n0.750000 0.236998 0.109970 Sn\n0.250000 0.763002 0.890030 Sn\n",
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"formula_full": "Sr4 Ca4 Sn4",
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"spacegroup": 62
},
{
"id": "mp-30826",
"created_at": "2022-09-04T14:47:25.666510Z",
"structure_string": "Pd26 Pb18\n1.0\n4.634188 8.022885 0.000000\n-4.634188 8.022885 0.000000\n0.000000 7.973080 11.755761\nPd Pb\n26 18\ndirect\n0.263760 0.500152 0.500314 Pd\n0.980048 0.256183 0.005567 Pd\n0.396657 0.655890 0.859674 Pd\n0.499848 0.736240 0.999686 Pd\n0.902003 0.656882 0.869812 Pd\n0.133178 0.900813 0.374890 Pd\n0.500152 0.263760 0.000314 Pd\n0.343118 0.097997 0.630188 Pd\n0.344110 0.603343 0.640326 Pd\n0.900813 0.133178 0.874890 Pd\n0.097997 0.343118 0.130188 Pd\n0.866822 0.099187 0.625110 Pd\n0.877080 0.623745 0.249355 Pd\n0.256183 0.980048 0.505567 Pd\n0.376255 0.122920 0.250645 Pd\n0.655890 0.396657 0.359674 Pd\n0.656882 0.902003 0.369812 Pd\n0.623745 0.877080 0.749355 Pd\n0.743817 0.019952 0.494433 Pd\n0.375181 0.624819 0.250000 Pd\n0.736240 0.499848 0.499686 Pd\n0.122920 0.376255 0.750645 Pd\n0.603343 0.344110 0.140326 Pd\n0.019952 0.743817 0.994433 Pd\n0.624819 0.375181 0.750000 Pd\n0.099187 0.866822 0.125110 Pd\n0.420428 0.245608 0.386733 Pb\n0.245608 0.420428 0.886733 Pb\n0.992761 0.750029 0.618404 Pb\n0.007239 0.249971 0.381596 Pb\n0.249971 0.007239 0.881596 Pb\n0.473124 0.728011 0.383683 Pb\n0.671653 0.008563 0.874860 Pb\n0.876267 0.123733 0.250000 Pb\n0.750029 0.992761 0.118404 Pb\n0.008563 0.671653 0.374860 Pb\n0.271989 0.526876 0.116317 Pb\n0.526876 0.271989 0.616317 Pb\n0.328347 0.991437 0.125140 Pb\n0.754392 0.579572 0.113267 Pb\n0.728011 0.473124 0.883683 Pb\n0.579572 0.754392 0.613267 Pb\n0.991437 0.328347 0.625140 Pb\n0.123733 0.876267 0.750000 Pb\n",
"nsites": 44,
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"elements": [
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"density": 12.340845582500602,
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"volume": 874.147981581205,
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"formula_full": "Pd26 Pb18",
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"updated_at": "2021-11-28T01:38:12.395000Z",
"spacegroup": 15
},
{
"id": "mp-1208213",
"created_at": "2022-09-04T14:47:25.690237Z",
"structure_string": "Th4 Ge4 O8\n1.0\n-3.474734 3.474734 5.878561\n3.474734 -3.474734 5.878561\n3.474734 3.474734 -5.878561\nTh Ge O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 Th\n0.375000 0.625000 0.750000 Th\n0.375000 0.625000 0.250000 Th\n0.375000 0.125000 0.750000 Th\n0.375000 0.125000 0.250000 Ge\n0.875000 0.125000 0.750000 Ge\n0.875000 0.125000 0.250000 Ge\n0.875000 0.625000 0.750000 Ge\n0.175765 0.452446 0.276681 O\n0.175765 0.899084 0.723319 O\n0.202446 0.425765 0.776681 O\n0.574235 0.797554 0.223319 O\n0.649084 0.425765 0.223319 O\n0.574235 0.350916 0.776681 O\n0.547554 0.824235 0.723319 O\n0.100916 0.824235 0.276681 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ge-O-Th",
"density": 7.876770806785171,
"density_atomic": 0.05635673630686895,
"volume": 283.90572358339114,
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"formula_full": "Th4 Ge4 O8",
"formula_reduced": "ThGeO2",
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"energy": -124.0484518,
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"updated_at": "2021-11-28T01:38:07.784000Z",
"spacegroup": 141
},
{
"id": "mp-530331",
"created_at": "2022-09-04T14:47:25.702097Z",
"structure_string": "Al36 Sn6 Te60\n1.0\n14.709771 -0.000000 0.000000\n-7.354885 12.739035 0.000000\n0.000000 0.000000 18.187054\nAl Sn Te\n36 6 60\ndirect\n0.990600 0.917683 0.919397 Al\n0.072919 0.082317 0.747270 Al\n0.009400 0.927081 0.413937 Al\n0.082317 0.072919 0.252730 Al\n0.141415 0.922588 0.596673 Al\n0.257953 0.810792 0.074113 Al\n0.116841 0.523370 0.933252 Al\n0.255992 0.677971 0.250262 Al\n0.254862 0.658948 0.748137 Al\n0.406529 0.883159 0.599919 Al\n0.189208 0.447161 0.407446 Al\n0.077412 0.218827 0.930006 Al\n0.404086 0.745138 0.414803 Al\n0.322029 0.578021 0.583596 Al\n0.341052 0.595914 0.081470 Al\n0.421979 0.744008 0.916929 Al\n0.218827 0.077412 0.069994 Al\n0.476630 0.593471 0.266585 Al\n0.552839 0.742047 0.740780 Al\n0.447161 0.189208 0.592554 Al\n0.781173 0.858585 0.263339 Al\n0.593471 0.476630 0.733415 Al\n0.578021 0.322029 0.416404 Al\n0.595914 0.341052 0.918530 Al\n0.523370 0.116841 0.066748 Al\n0.742047 0.552839 0.259220 Al\n0.858585 0.781173 0.736661 Al\n0.658948 0.254862 0.251863 Al\n0.744008 0.421979 0.083071 Al\n0.745138 0.404086 0.585197 Al\n0.677971 0.255992 0.749738 Al\n0.883159 0.406529 0.400081 Al\n0.810792 0.257953 0.925887 Al\n0.922588 0.141415 0.403327 Al\n0.927081 0.009400 0.586063 Al\n0.917683 0.990600 0.080603 Al\n0.087875 0.741268 0.842773 Sn\n0.258732 0.346607 0.176106 Sn\n0.653393 0.912125 0.509440 Sn\n0.346607 0.258732 0.823894 Sn\n0.912125 0.653393 0.490560 Sn\n0.741268 0.087875 0.157227 Sn\n0.156610 0.000000 0.833333 Te\n0.033968 0.898871 0.061053 Te\n0.249264 0.249264 -0.000000 Te\n0.000000 0.750736 0.666667 Te\n0.146005 0.872314 0.457875 Te\n0.086314 0.664183 0.003929 Te\n0.063316 0.523397 0.794114 Te\n0.214220 0.822654 0.210758 Te\n0.331301 0.999336 0.005680 Te\n0.000664 0.331965 0.339013 Te\n0.196929 0.632159 0.392834 Te\n0.231914 0.697614 0.606332 Te\n0.172667 0.511826 0.164134 Te\n1.000000 0.156610 0.166667 Te\n0.339159 0.827333 0.830801 Te\n0.177346 0.391565 0.544092 Te\n0.460081 0.936684 0.460781 Te\n0.127686 0.273691 0.791208 Te\n0.435230 0.803071 0.059501 Te\n0.101129 0.135098 0.394385 Te\n0.302386 0.534300 0.939665 Te\n0.465700 0.768086 0.272998 Te\n0.135098 0.101129 0.605614 Te\n0.367841 0.564770 0.726168 Te\n0.577869 0.913686 0.670596 Te\n0.335817 0.422131 0.337262 Te\n0.488174 0.660841 0.497468 Te\n0.476603 0.539919 0.127447 Te\n0.273691 0.127686 0.208792 Te\n0.608435 0.785780 0.877425 Te\n0.422131 0.335817 0.662738 Te\n0.726309 0.853995 0.124541 Te\n0.539919 0.476603 0.872553 Te\n0.391565 0.177346 0.455908 Te\n0.331965 0.000664 0.660987 Te\n0.668035 0.668699 0.672347 Te\n0.668699 0.668035 0.327653 Te\n0.564770 0.367841 0.273832 Te\n0.864902 0.966032 0.727719 Te\n0.534300 0.302386 0.060336 Te\n0.660841 0.488174 0.502532 Te\n0.511826 0.172667 0.835866 Te\n0.785780 0.608435 0.122575 Te\n0.523397 0.063316 0.205886 Te\n0.853995 0.726309 0.875459 Te\n0.632159 0.196929 0.607166 Te\n0.966032 0.864902 0.272280 Te\n0.768086 0.465700 0.727002 Te\n0.697614 0.231914 0.393668 Te\n0.803071 0.435230 0.940499 Te\n0.664183 0.086314 0.996071 Te\n0.913686 0.577869 0.329404 Te\n0.827333 0.339159 0.169199 Te\n0.936684 0.460081 0.539219 Te\n0.822654 0.214220 0.789242 Te\n0.750736 1.000000 0.333333 Te\n0.872314 0.146005 0.542125 Te\n0.999336 0.331301 0.994320 Te\n0.898871 0.033968 0.938948 Te\n0.843390 0.843390 0.500000 Te\n",
"nsites": 102,
"nelements": 3,
"elements": [
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"Sn",
"Te"
],
"chemical_system": "Al-Sn-Te",
"density": 4.550638750992873,
"density_atomic": 0.029929218228558065,
"volume": 3408.0409057485153,
"volume_molar": 20.121276519858288,
"formula_full": "Al36 Sn6 Te60",
"formula_reduced": "Al6SnTe10",
"formula_anonymous": "AB6C10",
"energy": -418.34869156,
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"updated_at": "2021-11-28T01:38:09.238000Z",
"spacegroup": 152
},
{
"id": "mp-624187",
"created_at": "2022-09-04T14:47:25.717652Z",
"structure_string": "Y20 Bi12\n1.0\n8.283596 0.000000 0.000000\n0.000000 9.521442 0.000000\n0.000000 0.000000 12.123732\nY Bi\n20 12\ndirect\n0.026634 0.750000 0.989126 Y\n0.526634 0.750000 0.510874 Y\n0.973366 0.250000 0.010874 Y\n0.473366 0.250000 0.489126 Y\n0.186075 0.750000 0.718988 Y\n0.686075 0.750000 0.781012 Y\n0.813925 0.250000 0.281012 Y\n0.313925 0.250000 0.218988 Y\n0.306280 0.437181 0.939784 Y\n0.806280 0.062819 0.560216 Y\n0.693720 0.937181 0.060216 Y\n0.193720 0.562819 0.439784 Y\n0.693720 0.562819 0.060216 Y\n0.193720 0.937181 0.439784 Y\n0.306280 0.062819 0.939784 Y\n0.806280 0.437181 0.560216 Y\n0.353920 0.750000 0.215027 Y\n0.853920 0.750000 0.284973 Y\n0.646080 0.250000 0.784973 Y\n0.146080 0.250000 0.715027 Y\n0.433785 0.003629 0.673975 Bi\n0.933785 0.496371 0.826025 Bi\n0.566215 0.503629 0.326025 Bi\n0.066215 0.996371 0.173975 Bi\n0.566215 0.996371 0.326025 Bi\n0.066215 0.503629 0.173975 Bi\n0.433785 0.496371 0.673975 Bi\n0.933785 0.003629 0.826025 Bi\n0.410228 0.750000 0.958098 Bi\n0.910228 0.750000 0.541902 Bi\n0.589772 0.250000 0.041902 Bi\n0.089772 0.250000 0.458098 Bi\n",
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"volume": 956.2203093277616,
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"formula_full": "Y20 Bi12",
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"updated_at": "2021-11-28T01:38:07.253000Z",
"spacegroup": 62
},
{
"id": "mp-1095847",
"created_at": "2022-09-04T14:47:25.779520Z",
"structure_string": "Be1 Co2 P1\n1.0\n-4.214202 4.286336 5.966350\n4.214202 -4.286336 5.966350\n4.214202 4.286336 -5.966350\nBe Co P\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.740531 0.000000 0.740531 Co\n0.259469 0.000000 0.259469 Co\n0.500000 0.000000 0.500000 P\n",
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"volume": 431.0923126718029,
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"formula_full": "Be1 Co2 P1",
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{
"id": "mp-553947",
"created_at": "2022-09-04T14:47:25.785756Z",
"structure_string": "Sr8 Ni4 Se8 Cl8 O24\n1.0\n5.416781 0.004986 -0.264293\n0.011724 13.037212 -0.006260\n-0.056066 -0.006012 12.431769\nSr Ni Se Cl O\n8 4 8 8 24\ndirect\n0.484549 0.398767 0.265649 Sr\n0.484547 0.898866 0.265656 Sr\n0.515415 0.101187 0.734367 Sr\n0.515504 0.601208 0.734349 Sr\n0.014862 0.148808 0.234354 Sr\n0.014967 0.648791 0.234344 Sr\n0.985075 0.351138 0.765674 Sr\n0.985085 0.851225 0.765647 Sr\n0.499986 0.749973 0.999989 Ni\n0.999987 0.499998 0.499985 Ni\n0.500020 0.250012 0.000046 Ni\n0.999794 0.999835 0.499983 Ni\n0.504355 0.130175 0.426383 Se\n0.504391 0.630214 0.426448 Se\n0.005195 0.119651 0.926678 Se\n0.005240 0.619629 0.926668 Se\n0.994806 0.380377 0.073328 Se\n0.994822 0.880375 0.073316 Se\n0.495560 0.369798 0.573576 Se\n0.495726 0.869890 0.573665 Se\n0.449372 0.410533 0.896597 Cl\n0.449351 0.910534 0.896532 Cl\n0.550647 0.089454 0.103377 Cl\n0.550630 0.589438 0.103463 Cl\n0.050852 0.160740 0.603263 Cl\n0.050829 0.660769 0.603351 Cl\n0.949131 0.339249 0.396673 Cl\n0.949205 0.839275 0.396746 Cl\n0.256794 0.185704 0.879008 O\n0.256802 0.685712 0.879025 O\n0.743307 0.314269 0.120978 O\n0.743256 0.814276 0.120976 O\n0.756347 0.063675 0.378828 O\n0.756465 0.563773 0.378885 O\n0.243496 0.436249 0.621101 O\n0.243526 0.936276 0.621103 O\n0.279874 0.036295 0.394726 O\n0.279976 0.536322 0.394727 O\n0.778897 0.212836 0.894948 O\n0.778875 0.712810 0.894932 O\n0.221077 0.287183 0.105049 O\n0.221066 0.787152 0.105023 O\n0.720031 0.463687 0.605279 O\n0.720239 0.963818 0.605252 O\n0.936335 0.035594 0.824465 O\n0.936343 0.535585 0.824456 O\n0.566403 0.285626 0.675592 O\n0.566464 0.785739 0.675702 O\n0.433571 0.214312 0.324321 O\n0.433611 0.714382 0.324420 O\n0.063676 0.464417 0.175552 O\n0.063665 0.964400 0.175546 O\n",
"nsites": 52,
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"elements": [
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],
"chemical_system": "Cl-Ni-O-Se-Sr",
"density": 4.2283236400336754,
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"volume": 877.7339802512813,
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"formula_full": "Sr8 Ni4 Se8 Cl8 O24",
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"updated_at": "2021-11-28T01:38:06.011000Z",
"spacegroup": 14
},
{
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"created_at": "2022-09-04T14:47:25.829779Z",
"structure_string": "Eu1 Si2\n1.0\n2.057937 -3.564451 0.000000\n2.057937 3.564451 0.000000\n0.000000 0.000000 4.227193\nEu Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
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"elements": [
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],
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"formula_full": "Eu1 Si2",
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{
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]
}