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{
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"results": [
{
"id": "mp-1038778",
"created_at": "2022-09-04T14:45:07.775192Z",
"structure_string": "Sn3 Bi1\n1.0\n0.000000 3.849017 3.849017\n3.849017 0.000000 3.849017\n3.849017 3.849017 0.000000\nSn Bi\n3 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Bi\n",
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"volume": 114.04584921437616,
"volume_molar": 17.170003926567716,
"formula_full": "Sn3 Bi1",
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"spacegroup": 225
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{
"id": "mp-16960",
"created_at": "2022-09-04T14:45:11.060940Z",
"structure_string": "Al8 Pt16\n1.0\n3.959625 0.000000 0.000000\n0.000000 5.510455 0.000000\n0.000000 0.000000 16.498189\nAl Pt\n8 16\ndirect\n0.000000 0.203694 0.750000 Al\n0.000000 0.796306 0.250000 Al\n0.000000 0.687318 0.591570 Al\n0.000000 0.312682 0.408430 Al\n0.000000 0.687318 0.908430 Al\n0.000000 0.312682 0.091570 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.054209 0.343601 Pt\n0.500000 0.945791 0.656399 Pt\n0.500000 0.558509 0.167577 Pt\n0.500000 0.441491 0.832423 Pt\n0.500000 0.558509 0.332423 Pt\n0.500000 0.441491 0.667577 Pt\n0.000000 0.275361 0.250000 Pt\n0.000000 0.724639 0.750000 Pt\n0.500000 0.945791 0.843601 Pt\n0.500000 0.054209 0.156399 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.200611 0.569011 Pt\n0.000000 0.799389 0.430989 Pt\n0.000000 0.200611 0.930989 Pt\n0.000000 0.799389 0.069011 Pt\n",
"nsites": 24,
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"elements": [
"Al",
"Pt"
],
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"density": 15.39405591724323,
"density_atomic": 0.0666704596707325,
"volume": 359.9795189433155,
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"formula_full": "Al8 Pt16",
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"updated_at": "2021-11-28T01:36:51.710000Z",
"spacegroup": 51
},
{
"id": "mp-684805",
"created_at": "2022-09-04T14:45:10.893904Z",
"structure_string": "Mn28 Sb26\n1.0\n3.560844 8.319984 0.000000\n-3.560844 8.319984 0.000000\n0.000000 5.055768 17.906389\nMn Sb\n28 26\ndirect\n0.424838 0.419464 0.884095 Mn\n0.804706 0.809924 0.963539 Mn\n0.195294 0.190076 0.036461 Mn\n0.117997 0.112803 0.922196 Mn\n0.575162 0.580536 0.115905 Mn\n0.500000 0.500000 0.000000 Mn\n0.958578 0.967685 0.192264 Mn\n0.882003 0.887197 0.077804 Mn\n0.346524 0.345942 0.271293 Mn\n0.273865 0.270220 0.154536 Mn\n0.729780 0.726135 0.345464 Mn\n0.654058 0.653476 0.228707 Mn\n0.112803 0.117997 0.422196 Mn\n0.032315 0.041422 0.307736 Mn\n0.665634 0.334366 0.250000 Mn\n0.500000 0.500000 0.500000 Mn\n0.419464 0.424838 0.384095 Mn\n0.887197 0.882003 0.577804 Mn\n0.809924 0.804706 0.463539 Mn\n0.270220 0.273865 0.654536 Mn\n0.190076 0.195294 0.536461 Mn\n0.653476 0.654058 0.728707 Mn\n0.580536 0.575162 0.615905 Mn\n0.041422 0.032315 0.807736 Mn\n0.967685 0.958578 0.692264 Mn\n0.334366 0.665634 0.750000 Mn\n0.345942 0.346524 0.771293 Mn\n0.726135 0.729780 0.845464 Mn\n0.436742 0.102281 0.903996 Sb\n0.821095 0.487166 0.981249 Sb\n0.796203 0.128184 0.941512 Sb\n0.203797 0.871816 0.058488 Sb\n0.178905 0.512834 0.018751 Sb\n0.589032 0.262087 0.137087 Sb\n0.563258 0.897719 0.096004 Sb\n0.973968 0.642666 0.212018 Sb\n0.964582 0.282086 0.167821 Sb\n0.357334 0.026032 0.287982 Sb\n0.312040 0.687960 0.250000 Sb\n0.737913 0.410968 0.362913 Sb\n0.717914 0.035418 0.332179 Sb\n0.128184 0.796203 0.441512 Sb\n0.102281 0.436742 0.403996 Sb\n0.512834 0.178905 0.518751 Sb\n0.487166 0.821095 0.481249 Sb\n0.897719 0.563258 0.596004 Sb\n0.871816 0.203797 0.558488 Sb\n0.282086 0.964582 0.667821 Sb\n0.262087 0.589032 0.637087 Sb\n0.687960 0.312040 0.750000 Sb\n0.642666 0.973968 0.712018 Sb\n0.035418 0.717914 0.832179 Sb\n0.026032 0.357334 0.787982 Sb\n0.410968 0.737913 0.862913 Sb\n",
"nsites": 54,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 7.362160705410656,
"density_atomic": 0.050895608421466114,
"volume": 1060.9952739502876,
"volume_molar": 11.832338676709986,
"formula_full": "Mn28 Sb26",
"formula_reduced": "Mn14Sb13",
"formula_anonymous": "A13B14",
"energy": -369.68253066,
"energy_per_atom": -6.84597279,
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"updated_at": "2021-11-28T01:36:50.349000Z",
"spacegroup": 15
},
{
"id": "mp-1185475",
"created_at": "2022-09-04T14:45:10.404462Z",
"structure_string": "Lu6 Mg2\n1.0\n3.432147 -5.944653 0.000000\n3.432147 5.944653 0.000000\n0.000000 0.000000 5.471317\nLu Mg\n6 2\ndirect\n0.168356 0.336713 0.250000 Lu\n0.168356 0.831644 0.250000 Lu\n0.663287 0.831644 0.250000 Lu\n0.336713 0.168356 0.750000 Lu\n0.831644 0.168356 0.750000 Lu\n0.831644 0.663287 0.750000 Lu\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"Mg"
],
"chemical_system": "Lu-Mg",
"density": 8.169587019345512,
"density_atomic": 0.03583238566116862,
"volume": 223.26171848137815,
"volume_molar": 16.80641868767941,
"formula_full": "Lu6 Mg2",
"formula_reduced": "Lu3Mg",
"formula_anonymous": "AB3",
"energy": -30.24578962,
"energy_per_atom": -3.7807237025,
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"updated_at": "2021-11-28T01:36:49.899000Z",
"spacegroup": 194
},
{
"id": "mp-1244938",
"created_at": "2022-09-04T14:45:08.301751Z",
"structure_string": "Ga32 O48\n1.0\n10.278550 0.073018 0.205542\n0.070598 9.786677 -0.074687\n0.211093 -0.073992 10.441527\nGa O\n32 48\ndirect\n0.249735 0.773281 0.072019 Ga\n0.804185 0.298618 0.785015 Ga\n0.453463 0.868424 0.260604 Ga\n0.192968 0.169607 0.926536 Ga\n0.292169 0.619091 0.743539 Ga\n0.084045 0.371208 0.607149 Ga\n0.759416 0.575940 0.891423 Ga\n0.963569 0.777764 0.258835 Ga\n0.977613 0.028938 0.731198 Ga\n0.695888 0.019721 0.226901 Ga\n0.632565 0.067803 0.699677 Ga\n0.246643 0.086533 0.184178 Ga\n0.893442 0.441690 0.340587 Ga\n0.660323 0.461765 0.578390 Ga\n0.629681 0.278165 0.365367 Ga\n0.125251 0.920182 0.441409 Ga\n0.283613 0.103035 0.660906 Ga\n0.593451 0.359240 0.061134 Ga\n0.279206 0.471761 0.994233 Ga\n0.021547 0.734932 0.927971 Ga\n0.486926 0.010469 0.978197 Ga\n0.476302 0.310673 0.820018 Ga\n0.166419 0.576345 0.444986 Ga\n0.434992 0.866304 0.568786 Ga\n0.961678 0.401575 0.023296 Ga\n0.560714 0.716178 0.033264 Ga\n0.945303 0.129084 0.187694 Ga\n0.343841 0.306518 0.432525 Ga\n0.781129 0.945208 0.925179 Ga\n0.675811 0.707727 0.365370 Ga\n0.420216 0.513726 0.225470 Ga\n0.843555 0.002053 0.452376 Ga\n0.193521 0.678791 0.893607 O\n0.171508 0.546105 0.626378 O\n0.603187 0.406623 0.233094 O\n0.758724 0.489576 0.730180 O\n0.410411 0.724984 0.671398 O\n0.566633 0.931534 0.127757 O\n0.509074 0.342216 0.495833 O\n0.612015 0.966218 0.853498 O\n0.932745 0.572784 0.946063 O\n0.937689 0.869262 0.840920 O\n0.715874 0.977657 0.570205 O\n0.095819 0.114213 0.087434 O\n0.820292 0.098412 0.800792 O\n0.780438 0.863902 0.317709 O\n0.726270 0.756733 0.964067 O\n0.766922 0.367162 0.451734 O\n0.096302 0.736055 0.389542 O\n0.143665 0.056738 0.785773 O\n0.227743 0.256298 0.566086 O\n0.326761 0.217703 0.801968 O\n0.319897 0.494086 0.378725 O\n0.281932 0.896460 0.224762 O\n0.016927 0.969064 0.306829 O\n0.988644 0.981140 0.558074 O\n0.059016 0.786324 0.097487 O\n0.600828 0.531877 0.976180 O\n0.816435 0.035108 0.085657 O\n0.940687 0.337746 0.191114 O\n0.411566 0.809484 0.983989 O\n0.558191 0.214633 0.954202 O\n0.324337 0.076631 0.019688 O\n0.969713 0.278330 0.703606 O\n0.400472 0.380492 0.094935 O\n0.273048 0.599128 0.133207 O\n0.039888 0.439348 0.442372 O\n0.521963 0.840498 0.412993 O\n0.458544 0.034004 0.650957 O\n0.267519 0.952781 0.531138 O\n0.801488 0.348199 0.960962 O\n0.379610 0.481156 0.836462 O\n0.133784 0.358819 0.963343 O\n0.852407 0.619814 0.288741 O\n0.628330 0.269335 0.710780 O\n0.644284 0.631083 0.516737 O\n0.563491 0.117616 0.309506 O\n0.273488 0.198089 0.312807 O\n0.528636 0.678873 0.216633 O\n0.819947 0.137632 0.326942 O\n",
"nsites": 80,
"nelements": 2,
"elements": [
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"O"
],
"chemical_system": "Ga-O",
"density": 4.743864295561089,
"density_atomic": 0.07620459460490026,
"volume": 1049.8054666490632,
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"formula_full": "Ga32 O48",
"formula_reduced": "Ga2O3",
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"energy": -502.55634173,
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"spacegroup": 1
},
{
"id": "mp-724714",
"created_at": "2022-09-04T14:45:07.677670Z",
"structure_string": "Sr25 Cl52\n1.0\n8.653637 0.000000 0.000000\n-1.441343 13.159061 0.000000\n-1.451878 -6.801495 19.438632\nSr Cl\n25 52\ndirect\n0.760023 0.120451 0.980060 Sr\n0.839241 0.079199 0.819803 Sr\n0.327916 0.839345 0.860628 Sr\n0.440686 0.279194 0.620235 Sr\n0.799784 0.600747 0.899827 Sr\n0.911859 0.040109 0.659763 Sr\n0.275645 0.357225 0.939127 Sr\n0.037170 0.474532 0.422025 Sr\n0.400793 0.802004 0.699815 Sr\n0.518802 0.242683 0.457303 Sr\n0.881887 0.556675 0.739788 Sr\n0.642017 0.677500 0.219673 Sr\n0.000000 0.000000 0.500000 Sr\n0.357983 0.322500 0.780327 Sr\n0.118113 0.443325 0.260212 Sr\n0.481198 0.757317 0.542697 Sr\n0.599207 0.197996 0.300185 Sr\n0.239977 0.879549 0.019940 Sr\n0.962830 0.525468 0.577975 Sr\n0.088141 0.959891 0.340237 Sr\n0.724355 0.642775 0.060873 Sr\n0.559314 0.720806 0.379765 Sr\n0.200216 0.399253 0.100173 Sr\n0.672084 0.160655 0.139372 Sr\n0.160759 0.920801 0.180197 Sr\n0.890876 0.931675 0.969560 Cl\n0.189504 0.029914 0.870132 Cl\n0.485846 0.136688 0.770321 Cl\n0.673417 0.784272 0.915758 Cl\n0.981349 0.888083 0.811836 Cl\n0.149346 0.550388 0.950040 Cl\n0.444370 0.640017 0.852992 Cl\n0.795599 0.240327 0.666859 Cl\n0.090224 0.329846 0.570014 Cl\n0.620187 0.940258 0.759860 Cl\n0.566700 0.096097 0.604031 Cl\n0.258570 0.991908 0.708158 Cl\n0.929530 0.409694 0.890032 Cl\n0.689885 0.529739 0.370099 Cl\n0.050398 0.850070 0.649884 Cl\n0.390172 0.430329 0.470004 Cl\n0.754191 0.743240 0.749682 Cl\n0.409792 0.169684 0.930002 Cl\n0.529581 0.609670 0.690518 Cl\n0.869841 0.188855 0.510324 Cl\n0.169574 0.289966 0.409925 Cl\n0.229565 0.511266 0.789275 Cl\n0.650351 0.050596 0.449768 Cl\n0.349649 0.949404 0.550232 Cl\n0.289435 0.730413 0.169844 Cl\n0.989689 0.630694 0.269850 Cl\n0.010311 0.369306 0.730150 Cl\n0.710565 0.269587 0.830156 Cl\n0.770435 0.488734 0.210725 Cl\n0.470419 0.390330 0.309482 Cl\n0.130159 0.811145 0.489676 Cl\n0.830426 0.710034 0.590075 Cl\n0.949602 0.149930 0.350116 Cl\n0.609828 0.569671 0.529996 Cl\n0.245809 0.256760 0.250318 Cl\n0.310115 0.470261 0.629901 Cl\n0.590208 0.830316 0.069998 Cl\n0.741430 0.008092 0.291842 Cl\n0.433300 0.903903 0.395969 Cl\n0.369088 0.690137 0.009964 Cl\n0.070470 0.590306 0.109968 Cl\n0.379813 0.059742 0.240140 Cl\n0.204401 0.759673 0.333141 Cl\n0.909776 0.670154 0.429986 Cl\n0.850654 0.449612 0.049960 Cl\n0.555630 0.359983 0.147008 Cl\n0.326583 0.215728 0.084242 Cl\n0.018651 0.111917 0.188164 Cl\n0.810496 0.970086 0.129868 Cl\n0.514154 0.863312 0.229679 Cl\n0.630912 0.309863 0.990036 Cl\n0.109124 0.068325 0.030440 Cl\n",
"nsites": 77,
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"elements": [
"Sr",
"Cl"
],
"chemical_system": "Cl-Sr",
"density": 3.0262287187671073,
"density_atomic": 0.03478575656474353,
"volume": 2213.549671017992,
"volume_molar": 17.312087919639012,
"formula_full": "Sr25 Cl52",
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"energy": -221.32501424,
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"spacegroup": 2
},
{
"id": "mp-570369",
"created_at": "2022-09-04T14:44:53.704001Z",
"structure_string": "Ce32 Ru18\n1.0\n8.469464 -6.750943 0.000000\n8.469464 6.750943 0.000000\n3.088341 0.000000 10.381194\nCe Ru\n32 18\ndirect\n0.500000 0.794546 0.205454 Ce\n0.049757 0.796674 0.796674 Ce\n0.531568 0.803952 0.531568 Ce\n0.796674 0.796674 0.049757 Ce\n0.000000 0.280678 0.719322 Ce\n0.719322 0.280678 0.000000 Ce\n0.794546 0.500000 0.205454 Ce\n0.280678 0.000000 0.719322 Ce\n0.468432 0.196048 0.468432 Ce\n0.531568 0.531568 0.803952 Ce\n0.796674 0.049757 0.796674 Ce\n0.719322 0.000000 0.280678 Ce\n0.794546 0.205454 0.500000 Ce\n0.000000 0.719322 0.280678 Ce\n0.468432 0.468432 0.196048 Ce\n0.205454 0.794546 0.500000 Ce\n0.842508 0.567856 0.842508 Ce\n0.205454 0.500000 0.794546 Ce\n0.280678 0.719322 0.000000 Ce\n0.157492 0.157492 0.432144 Ce\n0.803952 0.531568 0.531568 Ce\n0.203327 0.950243 0.203326 Ce\n0.842508 0.842508 0.567856 Ce\n0.157492 0.432144 0.157492 Ce\n0.500000 0.205454 0.794546 Ce\n0.950243 0.203326 0.203326 Ce\n0.196048 0.468432 0.468432 Ce\n0.500000 0.500000 0.500000 Ce\n0.432144 0.157492 0.157492 Ce\n0.203327 0.203326 0.950243 Ce\n0.000000 0.000000 0.000000 Ce\n0.567856 0.842508 0.842508 Ce\n0.363605 0.987681 0.987681 Ru\n0.728308 0.350859 0.728308 Ru\n0.623903 0.004194 0.623903 Ru\n0.995806 0.376097 0.376097 Ru\n0.649140 0.271692 0.271692 Ru\n0.350859 0.728308 0.728308 Ru\n0.271692 0.271692 0.649141 Ru\n0.376097 0.995806 0.376097 Ru\n0.271692 0.649140 0.271692 Ru\n0.636395 0.012319 0.012319 Ru\n0.623903 0.623903 0.004194 Ru\n0.376097 0.376097 0.995806 Ru\n0.987681 0.363605 0.987681 Ru\n0.728308 0.728308 0.350859 Ru\n0.987681 0.987681 0.363605 Ru\n0.012319 0.012319 0.636395 Ru\n0.012319 0.636395 0.012319 Ru\n0.004194 0.623903 0.623903 Ru\n",
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"volume": 1187.1283326689663,
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"formula_full": "Ce32 Ru18",
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