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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=6",
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"results": [
{
"id": "mp-7048",
"created_at": "2022-09-04T14:45:37.771438Z",
"structure_string": "Al4 O6\n1.0\n1.470475 5.962874 0.000000\n-1.470475 5.962874 0.000000\n0.000000 1.374654 5.501370\nAl O\n4 6\ndirect\n0.909879 0.909879 0.795611 Al\n0.090121 0.090121 0.204389 Al\n0.657850 0.657850 0.683223 Al\n0.342150 0.342150 0.316777 Al\n0.839794 0.839794 0.108953 O\n0.160206 0.160206 0.891047 O\n0.504979 0.504979 0.257442 O\n0.495021 0.495021 0.742558 O\n0.173605 0.173605 0.432588 O\n0.826395 0.826395 0.567412 O\n",
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"volume": 96.47485362122771,
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{
"id": "mp-1245082",
"created_at": "2022-09-04T14:45:36.517396Z",
"structure_string": "Zn50 S50\n1.0\n13.359083 0.089887 -0.229538\n0.092171 13.974025 -1.188842\n-0.203894 -1.128437 12.999354\nZn S\n50 50\ndirect\n0.424873 0.707680 0.850905 Zn\n0.199783 0.082155 0.740201 Zn\n0.508225 0.447251 0.884043 Zn\n0.279962 0.198165 0.535978 Zn\n0.070076 0.975469 0.117025 Zn\n0.805134 0.490191 0.530760 Zn\n0.081634 0.199725 0.835308 Zn\n0.576028 0.807938 0.834462 Zn\n0.925850 0.401803 0.889484 Zn\n0.249820 0.285222 0.825749 Zn\n0.656949 0.143784 0.078146 Zn\n0.900158 0.863338 0.090495 Zn\n0.345422 0.706646 0.545524 Zn\n0.196261 0.930998 0.457738 Zn\n0.936815 0.772947 0.582310 Zn\n0.721597 0.164023 0.841977 Zn\n0.481285 0.290650 0.502384 Zn\n0.861340 0.110454 0.270070 Zn\n0.532934 0.879206 0.056920 Zn\n0.084549 0.314146 0.711101 Zn\n0.370232 0.875807 0.647901 Zn\n0.502203 0.873933 0.362494 Zn\n0.919927 0.223479 0.698567 Zn\n0.730530 0.906945 0.681701 Zn\n0.390627 0.093165 0.325183 Zn\n0.412423 0.906088 0.908074 Zn\n0.135342 0.888364 0.961713 Zn\n0.534450 0.615317 0.716784 Zn\n0.545365 0.091896 0.557232 Zn\n0.806588 0.932247 0.957889 Zn\n0.600765 0.495128 0.146173 Zn\n0.010847 0.618785 0.822104 Zn\n0.496529 0.107875 0.789490 Zn\n0.919978 0.169183 0.059917 Zn\n0.299788 0.957588 0.235349 Zn\n0.023493 0.031951 0.823507 Zn\n0.815251 0.376199 0.287786 Zn\n0.741887 0.429178 0.702077 Zn\n0.234802 0.486755 0.601086 Zn\n0.730855 0.554905 0.954189 Zn\n0.131210 0.627886 0.516969 Zn\n0.760422 0.313190 0.531924 Zn\n0.224802 0.497861 0.976704 Zn\n0.744210 0.768763 0.470637 Zn\n0.094425 0.363797 0.122591 Zn\n0.565343 0.615446 0.364415 Zn\n0.118208 0.492633 0.261155 Zn\n0.414456 0.667735 0.144718 Zn\n0.131370 0.755375 0.316343 Zn\n0.254158 0.758145 0.722064 Zn\n0.527122 0.690984 0.571283 S\n0.017429 0.123093 0.191733 S\n0.432614 0.834021 0.183828 S\n0.973223 0.602420 0.134860 S\n0.238406 0.644010 0.094150 S\n0.347686 0.249124 0.391613 S\n0.782567 0.230382 0.174593 S\n0.485738 0.619805 0.979036 S\n0.461914 0.541981 0.232863 S\n0.963354 0.774899 0.768477 S\n0.642602 0.056762 0.697321 S\n0.816185 0.158332 0.553072 S\n0.617416 0.340885 0.414079 S\n0.280527 0.792248 0.910035 S\n0.153797 0.616952 0.698075 S\n0.835057 0.901621 0.548002 S\n0.138732 0.905752 0.276412 S\n0.940236 0.416421 0.418763 S\n0.547530 0.834678 0.639731 S\n0.771622 0.964998 0.232745 S\n0.794222 0.302449 0.804410 S\n0.740358 0.827033 0.820574 S\n0.863308 0.070990 0.903090 S\n0.854695 0.506232 0.108622 S\n0.645975 0.422545 0.988932 S\n0.172239 0.076430 0.563854 S\n0.546061 0.037071 0.388030 S\n0.006695 0.546033 0.390178 S\n0.562625 0.457034 0.717903 S\n0.634516 0.491294 0.457568 S\n0.576652 0.189600 0.941588 S\n0.843709 0.537638 0.823990 S\n0.631563 0.757604 0.339289 S\n0.290225 0.557568 0.467469 S\n0.088198 0.783087 0.490136 S\n0.006030 0.283209 0.984636 S\n0.760763 0.523090 0.239531 S\n0.175579 0.338150 0.578992 S\n0.899406 0.201242 0.434324 S\n0.958336 0.700857 0.035635 S\n0.223713 0.622136 0.249681 S\n0.357097 0.009600 0.787941 S\n0.352984 0.849551 0.459156 S\n0.680539 0.982357 0.102718 S\n0.814835 0.654455 0.559766 S\n0.439350 0.209804 0.644887 S\n0.084192 0.471043 0.865081 S\n0.082172 0.871145 0.778705 S\n0.352630 0.390480 0.930450 S\n0.621111 0.692113 0.990843 S\n",
"nsites": 100,
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"elements": [
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"S"
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"chemical_system": "S-Zn",
"density": 3.360750690787165,
"density_atomic": 0.04152679427576929,
"volume": 2408.0837864807104,
"volume_molar": 14.501819524060622,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -328.78809677,
"energy_per_atom": -3.2878809676999996,
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"spacegroup": 1
},
{
"id": "mp-28475",
"created_at": "2022-09-04T14:45:33.937233Z",
"structure_string": "H8 Pb12 O16\n1.0\n8.319314 0.000000 0.000000\n0.000000 8.319314 0.000000\n0.000000 0.000000 9.449102\nH Pb O\n8 12 16\ndirect\n0.661735 0.823065 0.740162 H\n0.338265 0.176935 0.740162 H\n0.676935 0.838265 0.240162 H\n0.176935 0.661735 0.259838 H\n0.823065 0.338265 0.259838 H\n0.838265 0.323065 0.759838 H\n0.161735 0.676935 0.759838 H\n0.323065 0.161735 0.240162 H\n0.500000 0.500000 0.778118 Pb\n0.500000 0.500000 0.221882 Pb\n0.000000 0.000000 0.721882 Pb\n0.000000 0.000000 0.278118 Pb\n0.795002 0.624392 0.503501 Pb\n0.204998 0.375608 0.503501 Pb\n0.875608 0.704998 0.003501 Pb\n0.375608 0.795002 0.496499 Pb\n0.624392 0.204998 0.496499 Pb\n0.704998 0.124392 0.996499 Pb\n0.295002 0.875608 0.996499 Pb\n0.124392 0.295002 0.003501 Pb\n0.806615 0.918573 0.871759 O\n0.193385 0.081427 0.871759 O\n0.581427 0.693385 0.371759 O\n0.081427 0.806615 0.128241 O\n0.250967 0.107577 0.171145 O\n0.107577 0.749033 0.828855 O\n0.892423 0.250967 0.828855 O\n0.750967 0.392423 0.328855 O\n0.249033 0.607577 0.328855 O\n0.749033 0.892423 0.171145 O\n0.392423 0.249033 0.671145 O\n0.607577 0.750967 0.671145 O\n0.418573 0.306615 0.371759 O\n0.306615 0.581427 0.628241 O\n0.693385 0.418573 0.628241 O\n0.918573 0.193385 0.128241 O\n",
"nsites": 36,
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"elements": [
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"Pb",
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],
"chemical_system": "H-O-Pb",
"density": 6.98373740186765,
"density_atomic": 0.05504741517212828,
"volume": 653.9816608542156,
"volume_molar": 10.939915600340743,
"formula_full": "H8 Pb12 O16",
"formula_reduced": "H2Pb3O4",
"formula_anonymous": "A2B3C4",
"energy": -201.4524521,
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"updated_at": "2021-11-28T01:37:03.645000Z",
"spacegroup": 114
},
{
"id": "mp-1028979",
"created_at": "2022-09-04T14:45:36.566765Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n1.689671 -2.926596 0.000000\n1.689671 2.926596 0.000000\n0.000000 0.000000 38.492610\nTe Mo W Se\n2 2 2 6\ndirect\n0.333333 0.666667 0.420815 Te\n0.333333 0.666667 0.518500 Te\n0.000000 0.000000 0.093920 Mo\n0.000000 0.000000 0.469670 Mo\n0.333333 0.666667 0.281781 W\n0.333333 0.666667 0.657563 W\n0.000000 0.000000 0.324970 Se\n0.000000 0.000000 0.700730 Se\n0.333333 0.666667 0.050887 Se\n0.333333 0.666667 0.136957 Se\n0.000000 0.000000 0.238597 Se\n0.000000 0.000000 0.614356 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.620409785172008,
"density_atomic": 0.03152165169361807,
"volume": 380.690711154249,
"volume_molar": 19.104775404961583,
"formula_full": "Te2 Mo2 W2 Se6",
"formula_reduced": "TeMoWSe3",
"formula_anonymous": "ABCD3",
"energy": -84.46728752,
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"updated_at": "2021-11-28T01:37:03.320000Z",
"spacegroup": 156
},
{
"id": "mp-1103970",
"created_at": "2022-09-04T14:45:34.933486Z",
"structure_string": "Fe4 S4 O16 F4\n1.0\n0.000001 -7.240376 -0.000004\n6.421744 -0.000003 -3.663027\n0.029390 0.000004 7.433323\nFe S O F\n4 4 16 4\ndirect\n0.750005 0.750000 0.000004 Fe\n0.250001 0.750001 0.499996 Fe\n0.249997 0.250001 0.000001 Fe\n0.749999 0.250005 0.500005 Fe\n0.870211 0.500000 0.250000 S\n0.370211 0.000001 0.249999 S\n0.629789 0.999998 0.749998 S\n0.129789 0.500001 0.750001 S\n0.986151 0.337909 0.083412 O\n0.486153 0.837912 0.083413 O\n0.513848 0.162087 0.916586 O\n0.013849 0.662093 0.916592 O\n0.986152 0.662089 0.416589 O\n0.486152 0.162090 0.416588 O\n0.513847 0.837907 0.583409 O\n0.013847 0.337912 0.583413 O\n0.247636 0.903547 0.338362 O\n0.747636 0.403549 0.338367 O\n0.252363 0.596452 0.661634 O\n0.752364 0.096450 0.661633 O\n0.747635 0.596453 0.161636 O\n0.247636 0.096450 0.161631 O\n0.752363 0.903546 0.838364 O\n0.252365 0.403547 0.838364 O\n0.331871 0.500000 0.249999 F\n0.831874 0.000000 0.250000 F\n0.168128 0.000001 0.749998 F\n0.668128 0.500002 0.750003 F\n",
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"volume": 346.3980778693112,
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"formula_full": "Fe4 S4 O16 F4",
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"updated_at": "2021-11-28T01:37:12.441000Z",
"spacegroup": 15
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{
"id": "mp-559366",
"created_at": "2022-09-04T14:45:38.322062Z",
"structure_string": "P6 Br6 N6 F6\n1.0\n5.287332 -6.465843 0.000000\n5.287332 6.465843 0.000000\n0.000000 0.000000 8.289664\nP Br N F\n6 6 6 6\ndirect\n0.334511 0.334511 0.244769 P\n0.310890 0.096845 0.010257 P\n0.096845 0.310890 0.010257 P\n0.665489 0.665489 0.744769 P\n0.903155 0.689110 0.510257 P\n0.689110 0.903155 0.510257 P\n0.261509 0.261509 0.490918 Br\n0.161598 0.757261 0.569415 Br\n0.738491 0.738491 0.990918 Br\n0.242739 0.838402 0.069415 Br\n0.757261 0.161598 0.569415 Br\n0.838402 0.242739 0.069415 Br\n0.803133 0.591441 0.655390 N\n0.161064 0.161064 0.932376 N\n0.838936 0.838936 0.432376 N\n0.591441 0.803133 0.655390 N\n0.408559 0.196867 0.155390 N\n0.196867 0.408559 0.155390 N\n0.089760 0.437879 0.872005 F\n0.910240 0.562121 0.372005 F\n0.519617 0.519617 0.780402 F\n0.562121 0.910240 0.372005 F\n0.437879 0.089760 0.872005 F\n0.480383 0.480383 0.280402 F\n",
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],
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"density_atomic": 0.042343093326253446,
"volume": 566.7984578991443,
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"formula_full": "P6 Br6 N6 F6",
"formula_reduced": "PBrNF",
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{
"id": "mp-26129",
"created_at": "2022-09-04T14:45:35.138782Z",
"structure_string": "Li4 Bi4 P8 O28\n1.0\n8.407649 0.000000 0.000000\n0.000000 5.247475 0.000000\n0.000000 5.223634 12.383881\nLi Bi P O\n4 4 8 28\ndirect\n0.639835 0.745797 0.098551 Li\n0.360165 0.254203 0.901449 Li\n0.860165 0.745797 0.598551 Li\n0.139835 0.254203 0.401449 Li\n0.303395 0.967214 0.223791 Bi\n0.803395 0.032786 0.276209 Bi\n0.196605 0.967214 0.723791 Bi\n0.696605 0.032786 0.776209 Bi\n0.289851 0.659488 0.020396 P\n0.710149 0.340512 0.979604 P\n0.973306 0.429097 0.836221 P\n0.473306 0.570903 0.663779 P\n0.789851 0.340512 0.479604 P\n0.526694 0.429097 0.336221 P\n0.210149 0.659488 0.520396 P\n0.026694 0.570903 0.163779 P\n0.559840 0.198190 0.293200 O\n0.826041 0.642696 0.459933 O\n0.391322 0.297606 0.732733 O\n0.059840 0.801810 0.206800 O\n0.940160 0.198190 0.793200 O\n0.608678 0.702394 0.267267 O\n0.173959 0.357304 0.540067 O\n0.380655 0.756151 0.099472 O\n0.348884 0.473572 0.341670 O\n0.307925 0.868880 0.904293 O\n0.599224 0.320653 0.455728 O\n0.099224 0.679347 0.044272 O\n0.807925 0.131120 0.595707 O\n0.848884 0.526428 0.158330 O\n0.880655 0.243849 0.400528 O\n0.651116 0.526428 0.658330 O\n0.108678 0.297606 0.232733 O\n0.440160 0.801810 0.706800 O\n0.673959 0.642696 0.959933 O\n0.891322 0.702394 0.767267 O\n0.326041 0.357304 0.040067 O\n0.119345 0.756151 0.599472 O\n0.151116 0.473572 0.841670 O\n0.192075 0.868880 0.404293 O\n0.900776 0.320653 0.955728 O\n0.400776 0.679347 0.544272 O\n0.692075 0.131120 0.095707 O\n0.619345 0.243849 0.900528 O\n",
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"formula_full": "Li4 Bi4 P8 O28",
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{
"id": "mp-5827",
"created_at": "2022-09-04T14:45:36.543199Z",
"structure_string": "Ca1 Ti1 O3\n1.0\n3.889471 0.000000 0.000000\n0.000000 3.889471 0.000000\n0.000000 0.000000 3.889471\nCa Ti O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"volume": 58.83985762289643,
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"formula_full": "Ca1 Ti1 O3",
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{
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{
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"structure_string": "Cr4 Pb4 O16\n1.0\n5.874035 0.000000 0.000000\n0.000000 7.734126 0.000000\n0.000000 0.000000 8.303846\nCr Pb O\n4 4 16\ndirect\n0.250000 0.170179 0.050553 Cr\n0.750000 0.670179 0.449447 Cr\n0.750000 0.829821 0.949447 Cr\n0.250000 0.329821 0.550553 Cr\n0.250000 0.701992 0.204568 Pb\n0.750000 0.298008 0.795432 Pb\n0.750000 0.201992 0.295432 Pb\n0.250000 0.798008 0.704568 Pb\n0.250000 0.021619 0.194652 O\n0.750000 0.978381 0.805348 O\n0.750000 0.521619 0.305348 O\n0.250000 0.478381 0.694652 O\n0.250000 0.077902 0.872242 O\n0.750000 0.922098 0.127758 O\n0.750000 0.577902 0.627758 O\n0.250000 0.422098 0.372242 O\n0.010291 0.289373 0.067111 O\n0.510291 0.710627 0.932889 O\n0.989709 0.789373 0.432889 O\n0.489709 0.210627 0.567111 O\n0.989709 0.710627 0.932889 O\n0.489709 0.289373 0.067111 O\n0.010291 0.210627 0.567111 O\n0.510291 0.789373 0.432889 O\n",
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]
}