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{
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"results": [
{
"id": "mp-1210528",
"created_at": "2022-09-04T14:45:59.287570Z",
"structure_string": "Na2 Li1 S2\n1.0\n6.060424 0.000000 0.000000\n0.000000 6.060424 0.000000\n0.000000 0.000000 13.479809\nNa Li S\n2 1 2\ndirect\n0.500000 0.500000 0.648052 Na\n0.500000 0.500000 0.351948 Na\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.168784 S\n0.500000 0.500000 0.831216 S\n",
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"volume": 495.09638733662007,
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"formula_full": "Na2 Li1 S2",
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{
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"structure_string": "Lu1 Sb1\n1.0\n3.741029 0.000000 0.000000\n0.000000 3.741029 0.000000\n0.000000 0.000000 3.741029\nLu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
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"elements": [
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],
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"volume": 52.356815602485575,
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"spacegroup": 221
},
{
"id": "mp-1207312",
"created_at": "2022-09-04T14:45:59.301616Z",
"structure_string": "Sm2 Mn1 Si2\n1.0\n2.892493 0.000000 0.000000\n0.000000 2.892493 0.000000\n0.000000 0.000000 13.952967\nSm Mn Si\n2 1 2\ndirect\n0.500000 0.500000 0.625187 Sm\n0.500000 0.500000 0.374813 Sm\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.165918 Si\n0.500000 0.500000 0.834082 Si\n",
"nsites": 5,
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"density": 5.858074222466596,
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"volume": 116.73771823517876,
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"formula_full": "Sm2 Mn1 Si2",
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"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:37:14.551000Z",
"spacegroup": 123
},
{
"id": "mp-1147546",
"created_at": "2022-09-04T14:45:59.303812Z",
"structure_string": "Sr2 Ti2 Cu2 O8\n1.0\n3.954676 0.000000 0.000000\n0.000000 3.954676 0.000000\n0.000000 0.000000 11.093411\nSr Ti Cu O\n2 2 2 8\ndirect\n0.750000 0.750000 0.126776 Sr\n0.250000 0.250000 0.873224 Sr\n0.750000 0.750000 0.728890 Ti\n0.250000 0.250000 0.271110 Ti\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.750000 0.750000 0.898774 O\n0.250000 0.250000 0.101226 O\n0.750000 0.750000 0.526259 O\n0.250000 0.250000 0.473741 O\n0.750000 0.250000 0.722465 O\n0.250000 0.750000 0.722465 O\n0.250000 0.750000 0.277535 O\n0.750000 0.250000 0.277535 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr-Ti",
"density": 5.034988103432774,
"density_atomic": 0.0806939761609228,
"volume": 173.49498272436966,
"volume_molar": 7.462937193713731,
"formula_full": "Sr2 Ti2 Cu2 O8",
"formula_reduced": "SrTiCuO4",
"formula_anonymous": "ABCD4",
"energy": -104.35611673,
"energy_per_atom": -7.454008337857142,
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"updated_at": "2021-11-28T01:37:19.259000Z",
"spacegroup": 129
},
{
"id": "mp-1018757",
"created_at": "2022-09-04T14:45:59.312809Z",
"structure_string": "La2 Zn2 Ga2\n1.0\n2.272446 -3.935991 0.000000\n2.272446 3.935991 0.000000\n0.000000 0.000000 7.897829\nLa Zn Ga\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n",
"nsites": 6,
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"elements": [
"La",
"Zn",
"Ga"
],
"chemical_system": "Ga-La-Zn",
"density": 6.4417468210398035,
"density_atomic": 0.04246839613939323,
"volume": 141.2815303951275,
"volume_molar": 14.180287713794606,
"formula_full": "La2 Zn2 Ga2",
"formula_reduced": "LaZnGa",
"formula_anonymous": "ABC",
"energy": -21.6818491,
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"updated_at": "2021-11-28T01:37:14.277000Z",
"spacegroup": 194
},
{
"id": "mp-1213024",
"created_at": "2022-09-04T14:45:59.315515Z",
"structure_string": "Er4 Ge6 Pt18\n1.0\n3.918022 6.757041 0.000000\n-3.918022 6.757041 0.000000\n0.000000 4.536102 9.010340\nEr Ge Pt\n4 6 18\ndirect\n0.415672 0.244351 0.250690 Er\n0.584328 0.755649 0.749310 Er\n0.755649 0.584328 0.249310 Er\n0.244351 0.415672 0.750690 Er\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.639185 0.181750 0.497826 Ge\n0.360815 0.818250 0.502174 Ge\n0.818250 0.360815 0.002174 Ge\n0.181750 0.639185 0.997826 Ge\n0.296575 0.916173 0.256638 Pt\n0.703425 0.083827 0.743362 Pt\n0.083827 0.703425 0.243362 Pt\n0.916173 0.296575 0.756638 Pt\n0.478037 0.639498 0.077959 Pt\n0.521963 0.360502 0.922041 Pt\n0.360502 0.521963 0.422041 Pt\n0.639498 0.478037 0.577959 Pt\n0.865361 0.134639 0.250000 Pt\n0.134639 0.865361 0.750000 Pt\n0.800287 0.979353 0.072056 Pt\n0.199713 0.020647 0.927944 Pt\n0.020647 0.199713 0.427944 Pt\n0.979353 0.800287 0.572056 Pt\n0.693071 0.860047 0.421243 Pt\n0.306929 0.139953 0.578757 Pt\n0.139953 0.306929 0.078757 Pt\n0.860047 0.693071 0.921243 Pt\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Er",
"Ge",
"Pt"
],
"chemical_system": "Er-Ge-Pt",
"density": 16.067814221552673,
"density_atomic": 0.05868990846247014,
"volume": 477.08372245809323,
"volume_molar": 10.260947610526465,
"formula_full": "Er4 Ge6 Pt18",
"formula_reduced": "Er2(GePt3)3",
"formula_anonymous": "A2B3C9",
"energy": -177.15828064,
"energy_per_atom": -6.327081451428571,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.214000Z",
"spacegroup": 15
},
{
"id": "mp-1196632",
"created_at": "2022-09-04T14:45:59.321754Z",
"structure_string": "La18 Sb10 C2 O8\n1.0\n10.584933 0.000000 0.000000\n0.000000 10.584933 0.000000\n0.000000 0.000000 9.444750\nLa Sb C O\n18 10 2 8\ndirect\n0.500000 0.000000 0.322555 La\n0.000000 0.500000 0.677445 La\n0.603785 0.296629 0.659064 La\n0.396215 0.703371 0.659064 La\n0.203371 0.103785 0.659064 La\n0.796629 0.896215 0.659064 La\n0.896215 0.203371 0.340936 La\n0.103785 0.796629 0.340936 La\n0.296629 0.396215 0.340936 La\n0.703371 0.603785 0.340936 La\n0.420599 0.226218 0.998360 La\n0.579401 0.773782 0.998360 La\n0.273782 0.920599 0.998360 La\n0.726218 0.079401 0.998360 La\n0.079401 0.273782 0.001640 La\n0.920599 0.726218 0.001640 La\n0.226218 0.579401 0.001640 La\n0.773782 0.420599 0.001640 La\n0.500000 0.000000 0.692216 Sb\n0.000000 0.500000 0.307784 Sb\n0.597906 0.304549 0.301831 Sb\n0.402094 0.695451 0.301831 Sb\n0.195451 0.097906 0.301831 Sb\n0.804549 0.902094 0.301831 Sb\n0.902094 0.195451 0.698169 Sb\n0.097906 0.804549 0.698169 Sb\n0.304549 0.402094 0.698169 Sb\n0.695451 0.597906 0.698169 Sb\n0.500000 0.000000 0.073262 C\n0.000000 0.500000 0.926738 C\n0.620936 0.275865 0.903223 O\n0.379064 0.724135 0.903223 O\n0.224135 0.120936 0.903223 O\n0.775865 0.879064 0.903223 O\n0.879064 0.224135 0.096777 O\n0.120936 0.775865 0.096777 O\n0.275865 0.379064 0.096777 O\n0.724135 0.620936 0.096777 O\n",
"nsites": 38,
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"elements": [
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"Sb",
"C",
"O"
],
"chemical_system": "C-La-O-Sb",
"density": 6.07272810471741,
"density_atomic": 0.0359101238605807,
"volume": 1058.197408272195,
"volume_molar": 16.770036169690385,
"formula_full": "La18 Sb10 C2 O8",
"formula_reduced": "La9Sb5CO4",
"formula_anonymous": "AB4C5D9",
"energy": -268.79484973,
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"updated_at": "2021-11-28T01:37:19.433000Z",
"spacegroup": 85
},
{
"id": "mp-1147592",
"created_at": "2022-09-04T14:45:59.323742Z",
"structure_string": "Li24 Zn12 P16 S64\n1.0\n9.305738 0.000000 0.000000\n-0.001129 11.600565 0.000000\n-0.013687 -0.033747 23.159020\nLi Zn P S\n24 12 16 64\ndirect\n0.748944 0.502371 0.372525 Li\n0.751883 0.494755 0.125773 Li\n0.747357 0.005667 0.120411 Li\n0.245169 0.748056 0.252995 Li\n0.501789 0.499871 0.750567 Li\n0.505696 0.001825 0.749000 Li\n0.497011 0.499498 0.503494 Li\n0.502144 0.997772 0.499517 Li\n0.001002 0.248884 0.625482 Li\n0.004066 0.747657 0.626949 Li\n0.494316 0.496463 0.248982 Li\n0.498036 0.999832 0.253188 Li\n0.001669 0.246295 0.376091 Li\n0.001309 0.751639 0.377331 Li\n0.490164 0.502129 0.996287 Li\n0.494824 0.002898 0.998911 Li\n0.017242 0.252115 0.124267 Li\n0.002082 0.752126 0.122257 Li\n0.002960 0.249137 0.873862 Li\n0.002902 0.751166 0.874958 Li\n0.500213 0.752283 0.377272 Li\n0.483155 0.248517 0.124910 Li\n0.006441 0.498204 0.250380 Li\n0.007310 0.998805 0.997292 Li\n0.498280 0.751081 0.873395 Zn\n0.498988 0.249641 0.875860 Zn\n0.499684 0.750055 0.625082 Zn\n0.499217 0.250879 0.626081 Zn\n0.998166 0.499990 0.750201 Zn\n0.999903 0.001008 0.750561 Zn\n0.491718 0.249468 0.373746 Zn\n0.005704 0.499553 0.501335 Zn\n0.999319 0.999983 0.500899 Zn\n0.492631 0.750301 0.123405 Zn\n0.998443 0.000570 0.250982 Zn\n0.003915 0.499968 0.999240 Zn\n0.750611 0.749864 0.749995 P\n0.750131 0.250283 0.749973 P\n0.748913 0.753530 0.500566 P\n0.751634 0.250905 0.499847 P\n0.250219 0.499293 0.625609 P\n0.250424 0.999740 0.624722 P\n0.752594 0.745936 0.246635 P\n0.747212 0.253989 0.252235 P\n0.253474 0.503846 0.377779 P\n0.246041 0.000228 0.372928 P\n0.748214 0.748454 0.002283 P\n0.750287 0.247231 0.998339 P\n0.247205 0.500011 0.122698 P\n0.252329 0.999625 0.128766 P\n0.249533 0.500716 0.874233 P\n0.251863 0.995822 0.873314 P\n0.863249 0.639334 0.949667 S\n0.871467 0.145413 0.947916 S\n0.863961 0.637864 0.697661 S\n0.863268 0.138234 0.697570 S\n0.365116 0.389063 0.822771 S\n0.373933 0.890951 0.819976 S\n0.868743 0.638039 0.448589 S\n0.863598 0.138727 0.447816 S\n0.362015 0.386476 0.573284 S\n0.364493 0.888161 0.572434 S\n0.875621 0.641959 0.195155 S\n0.869396 0.143963 0.198955 S\n0.361312 0.390769 0.322922 S\n0.365413 0.890278 0.322765 S\n0.375060 0.401342 0.072806 S\n0.361512 0.888411 0.073516 S\n0.636832 0.355210 0.693922 S\n0.636853 0.853665 0.693830 S\n0.629111 0.354699 0.444193 S\n0.641798 0.856402 0.445551 S\n0.137243 0.104900 0.568762 S\n0.138064 0.604837 0.569733 S\n0.629647 0.352957 0.196393 S\n0.627149 0.854160 0.194649 S\n0.131259 0.106644 0.318713 S\n0.130738 0.605745 0.323441 S\n0.630295 0.355023 0.946286 S\n0.628987 0.849963 0.947687 S\n0.129039 0.095813 0.075599 S\n0.131846 0.608336 0.068891 S\n0.139338 0.103362 0.817695 S\n0.134107 0.604192 0.818618 S\n0.864656 0.861407 0.802084 S\n0.864425 0.361633 0.802120 S\n0.875038 0.856100 0.552844 S\n0.863989 0.362607 0.552093 S\n0.365526 0.610660 0.677362 S\n0.365307 0.110995 0.676891 S\n0.865330 0.855992 0.300387 S\n0.872874 0.356694 0.303567 S\n0.374919 0.605352 0.428971 S\n0.363036 0.109190 0.425677 S\n0.865841 0.858666 0.052767 S\n0.870410 0.360201 0.052383 S\n0.364613 0.613578 0.177678 S\n0.371742 0.101259 0.180650 S\n0.361065 0.614785 0.925766 S\n0.363138 0.110423 0.925873 S\n0.637874 0.645353 0.806010 S\n0.635418 0.147235 0.805617 S\n0.637885 0.646560 0.556139 S\n0.632389 0.148995 0.554183 S\n0.134506 0.395879 0.680892 S\n0.135540 0.896804 0.680455 S\n0.627324 0.646961 0.300324 S\n0.632242 0.146404 0.305640 S\n0.129385 0.396701 0.429259 S\n0.133208 0.897819 0.429782 S\n0.626223 0.640623 0.056147 S\n0.629563 0.148236 0.054158 S\n0.136253 0.398985 0.178035 S\n0.127189 0.890629 0.182474 S\n0.136901 0.395829 0.930168 S\n0.141386 0.892615 0.927425 S\n",
"nsites": 116,
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"elements": [
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],
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"volume": 2500.058324649854,
"volume_molar": 12.979054430388965,
"formula_full": "Li24 Zn12 P16 S64",
"formula_reduced": "Li6Zn3(PS4)4",
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"spacegroup": 1
},
{
"id": "mp-1187692",
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"structure_string": "U1 Cd3\n1.0\n0.000000 3.638406 3.638406\n3.638406 0.000000 3.638406\n3.638406 3.638406 0.000000\nU Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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{
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"formula_full": "Sr4 Nb1 Co1 O8",
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{
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"structure_string": "Lu8 Fe2\n1.0\n0.000000 5.121791 5.121791\n5.121791 0.000000 5.121791\n5.121791 5.121791 0.000000\nLu Fe\n8 2\ndirect\n0.384829 0.384829 0.384829 Lu\n0.384829 0.384829 0.845514 Lu\n0.384829 0.845514 0.384829 Lu\n0.865171 0.865171 0.404486 Lu\n0.865171 0.865171 0.865171 Lu\n0.845514 0.384829 0.384829 Lu\n0.865171 0.404486 0.865171 Lu\n0.404486 0.865171 0.865171 Lu\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n",
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{
"id": "mp-849659",
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"structure_string": "Li10 Mn8 P16 O56\n1.0\n9.710306 -0.013735 -0.046287\n0.115149 9.718527 -0.003126\n-2.418367 -0.006114 11.005195\nLi Mn P O\n10 8 16 56\ndirect\n0.170409 0.424365 0.540098 Li\n0.408950 0.608466 0.973686 Li\n0.337279 0.922164 0.460870 Li\n0.646678 0.060702 0.526104 Li\n0.589501 0.392602 0.030537 Li\n0.852780 0.587277 0.956831 Li\n0.649266 0.089048 0.044095 Li\n0.918438 0.906032 0.972331 Li\n0.825189 0.587437 0.453182 Li\n0.883493 0.280686 0.548139 Li\n0.199500 0.923728 0.672518 Mn\n0.259700 0.211861 0.829566 Mn\n0.232671 0.720746 0.172355 Mn\n0.299752 0.425266 0.323927 Mn\n0.700717 0.576723 0.672711 Mn\n0.766125 0.278485 0.831550 Mn\n0.740268 0.785365 0.174331 Mn\n0.799894 0.074728 0.324913 Mn\n0.028762 0.446326 0.757641 P\n0.118867 0.712760 0.887561 P\n0.066467 0.926778 0.242503 P\n0.123497 0.148389 0.425623 P\n0.377768 0.646207 0.574918 P\n0.436849 0.428210 0.759271 P\n0.521376 0.054243 0.755971 P\n0.377734 0.210295 0.110477 P\n0.615312 0.792564 0.892864 P\n0.472538 0.944711 0.245062 P\n0.563618 0.572840 0.239735 P\n0.620872 0.350875 0.418660 P\n0.878840 0.850364 0.579411 P\n0.932261 0.072448 0.757583 P\n0.891079 0.288520 0.108179 P\n0.975547 0.552167 0.245965 P\n0.019706 0.419011 0.624033 O\n0.035272 0.841560 0.573427 O\n0.080322 0.084871 0.729176 O\n0.116405 0.340892 0.845038 O\n0.105587 0.589802 0.787161 O\n0.177393 0.829883 0.825162 O\n0.225948 0.659705 0.003707 O\n0.028586 0.265287 0.076920 O\n0.121973 0.073996 0.295829 O\n0.068080 0.915385 0.109387 O\n0.128742 0.550684 0.217533 O\n0.182823 0.290883 0.413269 O\n0.179629 0.819539 0.308656 O\n0.213133 0.054644 0.522399 O\n0.288417 0.557043 0.475501 O\n0.326965 0.317243 0.702051 O\n0.320845 0.791663 0.588301 O\n0.366626 0.046639 0.781831 O\n0.369914 0.571970 0.701971 O\n0.441762 0.437085 0.894037 O\n0.476033 0.769234 0.922861 O\n0.274381 0.159416 0.994050 O\n0.321581 0.331270 0.173893 O\n0.394461 0.088715 0.210245 O\n0.419731 0.590769 0.272799 O\n0.385533 0.837836 0.159953 O\n0.521421 0.083220 0.626603 O\n0.466503 0.345370 0.427124 O\n0.534632 0.653820 0.570259 O\n0.486548 0.929320 0.379253 O\n0.609493 0.150996 0.853584 O\n0.583736 0.412909 0.726536 O\n0.594831 0.904937 0.784259 O\n0.687613 0.670587 0.843082 O\n0.724590 0.859684 0.004975 O\n0.523746 0.229097 0.086435 O\n0.564402 0.566899 0.105879 O\n0.627960 0.425665 0.292759 O\n0.623845 0.950670 0.209564 O\n0.682298 0.205108 0.410250 O\n0.675804 0.680804 0.300855 O\n0.721469 0.432645 0.517449 O\n0.789244 0.938952 0.479985 O\n0.830337 0.186042 0.688125 O\n0.822501 0.704979 0.592498 O\n0.876228 0.458554 0.787020 O\n0.917253 0.078376 0.888158 O\n0.871011 0.925628 0.706479 O\n0.974721 0.731113 0.915149 O\n0.777157 0.356329 0.997881 O\n0.815726 0.170830 0.160360 O\n0.906286 0.404260 0.216971 O\n0.881797 0.650586 0.149399 O\n0.917600 0.911262 0.271505 O\n0.968639 0.161664 0.437243 O\n0.976170 0.580322 0.376405 O\n",
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"formula_full": "Li10 Mn8 P16 O56",
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"updated_at": "2021-11-28T01:37:19.949000Z",
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}
]
}