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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11539",
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"results": [
{
"id": "mp-675654",
"created_at": "2022-09-04T14:46:03.369501Z",
"structure_string": "Cd2 Bi6 O11\n1.0\n3.675542 0.000000 0.000000\n0.049791 3.686944 0.000000\n0.055466 0.695219 23.850010\nCd Bi O\n2 6 11\ndirect\n0.937105 0.866378 0.247119 Cd\n0.448359 0.389668 0.140670 Cd\n0.376229 0.380001 0.890289 Bi\n0.987908 0.020225 0.749387 Bi\n0.479542 0.501089 0.610133 Bi\n0.942944 0.061484 0.477249 Bi\n0.447433 0.546376 0.362924 Bi\n0.965175 0.986518 0.019295 Bi\n0.055574 0.875971 0.914920 O\n0.467530 0.300411 0.990566 O\n0.973520 0.396711 0.818383 O\n0.488029 0.311876 0.722295 O\n0.949156 0.560535 0.420761 O\n0.960878 0.865928 0.618982 O\n0.481965 0.504434 0.521081 O\n0.451429 0.062693 0.417838 O\n0.948275 0.345920 0.300226 O\n0.438175 0.877642 0.191966 O\n0.950773 0.396141 0.085916 O\n",
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"elements": [
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"formula_full": "Cd2 Bi6 O11",
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},
{
"id": "mp-1223563",
"created_at": "2022-09-04T14:46:03.908771Z",
"structure_string": "K1 Mg3 Al1 Si3 O11 F1\n1.0\n5.372043 0.000000 0.000000\n-2.683152 4.690043 0.000000\n-1.034130 -1.525401 10.112496\nK Mg Al Si O F\n1 3 1 3 11 1\ndirect\n0.938132 0.938700 0.813229 K\n0.448027 0.448220 0.340981 Mg\n0.781297 0.116397 0.343133 Mg\n0.115586 0.774507 0.339927 Mg\n0.530384 0.201140 0.614007 Al\n0.203781 0.539556 0.619165 Si\n0.356357 0.689977 0.066870 Si\n0.690086 0.356542 0.067022 Si\n0.475747 0.143950 0.438502 O\n0.151149 0.488705 0.453939 O\n0.505069 0.004727 0.009875 O\n0.002268 0.505320 0.007840 O\n0.411691 0.739943 0.227414 O\n0.749295 0.411376 0.227500 O\n0.379546 0.879754 0.679177 O\n0.899124 0.390469 0.676022 O\n0.388117 0.400064 0.679385 O\n0.501221 0.502790 0.008529 O\n0.085604 0.083298 0.248373 O\n0.807517 0.804564 0.439109 F\n",
"nsites": 20,
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"elements": [
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"Si",
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"F"
],
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"density": 2.7258581886236164,
"density_atomic": 0.07849741008885515,
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"formula_full": "K1 Mg3 Al1 Si3 O11 F1",
"formula_reduced": "KMg3AlSi3O11F",
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"energy": -145.09273171,
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"updated_at": "2021-11-28T01:37:19.205000Z",
"spacegroup": 1
},
{
"id": "mp-752489",
"created_at": "2022-09-04T14:46:03.193969Z",
"structure_string": "Co4 O1 F11\n1.0\n5.076306 0.000000 0.000000\n-0.106165 5.289635 0.000000\n-0.040592 -0.508393 7.359316\nCo O F\n4 1 11\ndirect\n0.511104 0.503408 0.998013 Co\n0.994357 0.984548 0.995111 Co\n0.500336 0.499311 0.498562 Co\n0.999889 0.999800 0.498352 Co\n0.781236 0.702747 0.957987 O\n0.693054 0.193448 0.941142 F\n0.114218 0.995939 0.747523 F\n0.685679 0.804416 0.559192 F\n0.385120 0.500184 0.751389 F\n0.811466 0.305872 0.557240 F\n0.189048 0.693746 0.443005 F\n0.620149 0.500856 0.248570 F\n0.316552 0.194262 0.443030 F\n0.888190 0.006391 0.252978 F\n0.305201 0.805247 0.057355 F\n0.204402 0.309825 0.050550 F\n",
"nsites": 16,
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"elements": [
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"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 3.8714186386406895,
"density_atomic": 0.08096718348982372,
"volume": 197.61092470273397,
"volume_molar": 7.437755026710157,
"formula_full": "Co4 O1 F11",
"formula_reduced": "Co4OF11",
"formula_anonymous": "AB4C11",
"energy": -85.58135125,
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"updated_at": "2021-11-28T01:37:20.640000Z",
"spacegroup": 1
},
{
"id": "mp-761007",
"created_at": "2022-09-04T14:46:03.426097Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n9.718019 0.000000 0.000000\n-4.854383 8.448034 0.000000\n-0.027775 -0.201618 14.324536\nLi V P O\n6 6 16 58\ndirect\n0.677922 0.770701 0.048125 Li\n0.091632 0.322559 0.057562 Li\n0.769524 0.675752 0.448328 Li\n0.233226 0.331036 0.562559 Li\n0.031378 0.977580 0.993252 Li\n0.996197 0.000470 0.514828 Li\n0.562813 0.565030 0.248800 V\n0.435594 0.432266 0.753347 V\n0.003358 0.566842 0.750482 V\n0.994879 0.437548 0.249990 V\n0.436314 0.997477 0.252327 V\n0.560501 0.000369 0.744984 V\n0.221595 0.919316 0.838967 P\n0.084149 0.781522 0.338187 P\n0.699420 0.918747 0.345402 P\n0.333131 0.665018 0.132882 P\n0.331160 0.660799 0.632212 P\n0.687737 0.781715 0.837620 P\n0.776573 0.686180 0.660129 P\n0.086381 0.311259 0.844981 P\n0.914691 0.694784 0.154294 P\n0.224930 0.317472 0.343484 P\n0.305695 0.216478 0.165201 P\n0.665458 0.336609 0.365718 P\n0.670789 0.334072 0.866015 P\n0.297408 0.081859 0.655555 P\n0.913856 0.217053 0.663826 P\n0.776911 0.081489 0.161348 P\n0.195231 0.008993 0.572197 O\n0.259356 0.914725 0.333803 O\n0.986731 0.786958 0.069358 O\n0.088263 0.742128 0.829816 O\n0.383242 0.926226 0.826253 O\n0.333159 0.810169 0.181126 O\n0.541862 0.922998 0.331041 O\n0.783236 0.990723 0.079025 O\n0.651871 0.918519 0.828820 O\n0.185410 0.661442 0.679281 O\n0.081291 0.619810 0.324329 O\n0.476822 0.810408 0.677473 O\n0.348620 0.666762 0.029716 O\n0.326729 0.653854 0.528665 O\n0.486394 0.669885 0.177395 O\n0.086083 0.467770 0.830397 O\n0.184016 0.513460 0.169873 O\n0.659008 0.741351 0.334466 O\n0.797654 0.799247 0.749044 O\n0.789537 0.769197 0.570818 O\n0.771271 0.791444 0.926977 O\n0.530700 0.620981 0.824304 O\n0.330726 0.510779 0.672551 O\n0.737522 0.654566 0.163426 O\n0.382167 0.474304 0.324574 O\n0.084852 0.348551 0.325532 O\n0.002018 0.801558 0.245607 O\n0.994942 0.788442 0.420431 O\n0.004792 0.197676 0.585748 O\n0.915260 0.651473 0.669278 O\n0.617662 0.531632 0.673716 O\n0.259437 0.344227 0.829208 O\n0.669897 0.488228 0.323425 O\n0.463513 0.378492 0.175770 O\n0.204389 0.207277 0.084740 O\n0.217357 0.248497 0.436254 O\n0.210311 0.197153 0.261748 O\n0.344747 0.261107 0.663450 O\n0.816764 0.478367 0.820407 O\n0.919661 0.538693 0.169096 O\n0.521979 0.338067 0.821662 O\n0.669067 0.335514 0.969126 O\n0.675221 0.349646 0.468827 O\n0.519320 0.188591 0.321993 O\n0.923843 0.379771 0.671371 O\n0.812523 0.335756 0.317474 O\n0.344548 0.081110 0.168415 O\n0.197347 0.002690 0.748581 O\n0.203026 0.995801 0.923716 O\n0.452337 0.072859 0.666190 O\n0.663458 0.186457 0.816758 O\n0.616740 0.078765 0.175463 O\n0.914125 0.257176 0.161149 O\n0.025097 0.233425 0.936198 O\n0.985046 0.192822 0.761388 O\n0.737122 0.084283 0.664378 O\n0.794921 0.989947 0.430997 O\n0.803880 0.006172 0.254561 O\n",
"nsites": 86,
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"elements": [
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"V",
"P",
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],
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"density": 2.500429170523319,
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"volume": 1176.017975751669,
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"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
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"updated_at": "2021-11-28T01:37:19.496000Z",
"spacegroup": 1
},
{
"id": "mp-849710",
"created_at": "2022-09-04T14:46:03.209477Z",
"structure_string": "Li7 Fe8 B8 O24\n1.0\n-5.230655 0.000000 0.000000\n-0.007661 -9.077434 0.000000\n2.559507 4.352913 10.271901\nLi Fe B O\n7 8 8 24\ndirect\n0.033196 0.040844 0.415447 Li\n0.295114 0.283125 0.912107 Li\n0.486663 0.506928 0.664439 Li\n0.269434 0.249616 0.168424 Li\n0.791809 0.780594 0.905696 Li\n0.984033 0.003513 0.663792 Li\n0.767187 0.746815 0.166266 Li\n0.013166 0.362811 0.381805 Fe\n0.265183 0.936478 0.880340 Fe\n0.493739 0.154845 0.635364 Fe\n0.249729 0.565782 0.132350 Fe\n0.771184 0.440922 0.884647 Fe\n0.520852 0.844021 0.385485 Fe\n0.964246 0.653614 0.624363 Fe\n0.745002 0.063180 0.129159 Fe\n0.027882 0.688630 0.374281 B\n0.269506 0.601398 0.876883 B\n0.477268 0.817010 0.634183 B\n0.236696 0.896247 0.125845 B\n0.509319 0.182344 0.377420 B\n0.769046 0.103184 0.876675 B\n0.975331 0.310839 0.622293 B\n0.731300 0.397733 0.128185 B\n0.025894 0.105732 0.863395 O\n0.111251 0.712211 0.847404 O\n0.169761 0.489278 0.914727 O\n0.088348 0.171979 0.614756 O\n0.094222 0.420433 0.583732 O\n0.233221 0.843477 0.665649 O\n0.260706 0.661681 0.336407 O\n0.526684 0.601419 0.863410 O\n0.604897 0.211681 0.846225 O\n0.416700 0.073848 0.418322 O\n0.353573 0.298155 0.357979 O\n0.673265 0.994492 0.919526 O\n0.340152 0.017496 0.097125 O\n0.600385 0.685376 0.639233 O\n0.596330 0.926052 0.598754 O\n0.398745 0.791099 0.159837 O\n0.462388 0.374984 0.110514 O\n0.741626 0.345015 0.662699 O\n0.764168 0.176381 0.351471 O\n0.926946 0.579297 0.416649 O\n0.895136 0.818326 0.368064 O\n0.838601 0.512579 0.095733 O\n0.897434 0.300204 0.177014 O\n0.966650 0.881048 0.116445 O\n",
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"formula_full": "Li7 Fe8 B8 O24",
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"spacegroup": 1
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{
"id": "mp-1177775",
"created_at": "2022-09-04T14:46:03.269098Z",
"structure_string": "Li12 V6 Si12 O42\n1.0\n-8.571212 0.000000 0.000000\n4.277116 7.443026 0.000000\n-0.027039 -0.252205 -12.974546\nLi V Si O\n12 6 12 42\ndirect\n0.970789 0.310624 0.896556 Li\n0.697304 0.665719 0.899047 Li\n0.332227 0.026984 0.899118 Li\n0.335067 0.031967 0.564330 Li\n0.659288 0.975037 0.394393 Li\n0.311150 0.329372 0.393923 Li\n0.333451 0.657712 0.229593 Li\n0.336513 0.664387 0.723091 Li\n0.988380 0.003944 0.454532 Li\n0.006717 0.019642 0.966828 Li\n0.023577 0.691460 0.393861 Li\n0.027304 0.692336 0.069472 Li\n0.996630 0.999264 0.726952 V\n0.675636 0.341274 0.514379 V\n0.667744 0.329867 0.955443 V\n0.995437 0.001199 0.224575 V\n0.341506 0.668530 0.013594 V\n0.336882 0.665955 0.456842 V\n0.969909 0.324654 0.121809 Si\n0.961978 0.323181 0.345716 Si\n0.675867 0.639757 0.347330 Si\n0.669488 0.637008 0.125383 Si\n0.360924 0.033749 0.120961 Si\n0.351777 0.026953 0.342333 Si\n0.647085 0.975694 0.620058 Si\n0.642387 0.965323 0.847334 Si\n0.333382 0.358706 0.619524 Si\n0.327866 0.360644 0.848572 Si\n0.028468 0.674136 0.846381 Si\n0.029702 0.669942 0.621259 Si\n0.862700 0.058927 0.840735 O\n0.864052 0.055778 0.631266 O\n0.871656 0.309522 0.232283 O\n0.820172 0.262906 0.028682 O\n0.791334 0.240874 0.424970 O\n0.880583 0.465701 0.598141 O\n0.876666 0.466951 0.867309 O\n0.938606 0.803523 0.838071 O\n0.952351 0.808867 0.638364 O\n0.581114 0.113362 0.869274 O\n0.585084 0.119772 0.596030 O\n0.764019 0.560767 0.427967 O\n0.757599 0.571388 0.034228 O\n0.685020 0.553667 0.234248 O\n0.442581 0.124928 0.233621 O\n0.796774 0.861076 0.343366 O\n0.802958 0.857290 0.140376 O\n0.452331 0.184043 0.032896 O\n0.422926 0.181302 0.432745 O\n0.537013 0.406132 0.593753 O\n0.532997 0.414837 0.875363 O\n0.461556 0.580071 0.362991 O\n0.464182 0.594977 0.106618 O\n0.557324 0.792248 0.923685 O\n0.556593 0.815652 0.530378 O\n0.198796 0.141918 0.626379 O\n0.195036 0.142122 0.840333 O\n0.558220 0.874698 0.731093 O\n0.328469 0.445623 0.733908 O\n0.269223 0.459470 0.537752 O\n0.240575 0.454709 0.923562 O\n0.400362 0.865574 0.100233 O\n0.403128 0.867004 0.359763 O\n0.052813 0.188213 0.125026 O\n0.057078 0.195571 0.341727 O\n0.120584 0.533308 0.366750 O\n0.124908 0.535746 0.106394 O\n0.189931 0.760592 0.932897 O\n0.193445 0.759087 0.536439 O\n0.127991 0.679323 0.734473 O\n0.140326 0.943713 0.124295 O\n0.130558 0.934176 0.332452 O\n",
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"formula_full": "Li12 V6 Si12 O42",
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{
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.66901762,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0099561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.234000Z",
"spacegroup": 1
}
]
}