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{
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{
"id": "mp-861595",
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"structure_string": "Pr4 Cd2 Cu4\n1.0\n3.721500 4.265047 0.000000\n-3.721500 4.265047 0.000000\n0.000000 2.156537 7.374704\nPr Cd Cu\n4 2 4\ndirect\n0.661539 0.661539 0.771530 Pr\n0.338461 0.338461 0.228470 Pr\n0.209516 0.209516 0.754552 Pr\n0.790484 0.790484 0.245448 Pr\n0.214126 0.785874 0.500000 Cd\n0.785874 0.214126 0.500000 Cd\n0.316182 0.886870 0.094199 Cu\n0.113130 0.683818 0.905801 Cu\n0.683818 0.113130 0.905801 Cu\n0.886870 0.316182 0.094199 Cu\n",
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{
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"structure_string": "La1 Y1 Ir2\n1.0\n-5.014809 6.075169 8.590943\n5.014809 -6.075169 8.590943\n5.014809 6.075169 -8.590943\nLa Y Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.257412 0.257412 Ir\n0.000000 0.742588 0.742588 Ir\n",
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{
"id": "mp-1223202",
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"structure_string": "La2 Ni1 Pt1\n1.0\n1.985339 -5.532194 0.000000\n1.985339 5.532194 0.000000\n0.000000 0.000000 4.459729\nLa Ni Pt\n2 1 1\ndirect\n0.862910 0.137090 0.500000 La\n0.134006 0.865994 0.000000 La\n0.585634 0.414366 0.500000 Ni\n0.417451 0.582549 0.000000 Pt\n",
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"volume": 97.96490915555967,
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"formula_full": "La2 Ni1 Pt1",
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{
"id": "mp-1210535",
"created_at": "2022-09-04T14:42:50.992870Z",
"structure_string": "Nd46 Cd8 Ru14\n1.0\n5.014246 -8.684930 0.000000\n5.014246 8.684930 0.000000\n0.000000 0.000000 22.489682\nNd Cd Ru\n46 8 14\ndirect\n0.207033 0.414065 0.719468 Nd\n0.207033 0.792967 0.719468 Nd\n0.792967 0.585935 0.219468 Nd\n0.585935 0.792967 0.719468 Nd\n0.792967 0.207033 0.219468 Nd\n0.414065 0.207033 0.219468 Nd\n0.793221 0.586441 0.947350 Nd\n0.793221 0.206779 0.947350 Nd\n0.206779 0.413559 0.447350 Nd\n0.413559 0.206779 0.947350 Nd\n0.206779 0.793221 0.447350 Nd\n0.586441 0.793221 0.447350 Nd\n0.206974 0.413949 0.990299 Nd\n0.206974 0.793026 0.990299 Nd\n0.793026 0.586051 0.490299 Nd\n0.586051 0.793026 0.990299 Nd\n0.793026 0.206974 0.490299 Nd\n0.413949 0.206974 0.490299 Nd\n0.873042 0.746084 0.636931 Nd\n0.873042 0.126958 0.636931 Nd\n0.126958 0.253916 0.136931 Nd\n0.253916 0.126958 0.636931 Nd\n0.126958 0.873042 0.136931 Nd\n0.746084 0.873042 0.136931 Nd\n0.459833 0.919667 0.854775 Nd\n0.459833 0.540167 0.854775 Nd\n0.540167 0.080333 0.354775 Nd\n0.080333 0.540167 0.854775 Nd\n0.540167 0.459833 0.354775 Nd\n0.919667 0.459833 0.354775 Nd\n0.000000 0.000000 0.000808 Nd\n0.000000 0.000000 0.500808 Nd\n0.458906 0.917813 0.584589 Nd\n0.458906 0.541094 0.584589 Nd\n0.541094 0.082187 0.084589 Nd\n0.082187 0.541094 0.584589 Nd\n0.541094 0.458906 0.084589 Nd\n0.917813 0.458906 0.084589 Nd\n0.795118 0.590237 0.782141 Nd\n0.795118 0.204882 0.782141 Nd\n0.204882 0.409763 0.282141 Nd\n0.409763 0.204882 0.782141 Nd\n0.204882 0.795118 0.282141 Nd\n0.590237 0.795118 0.282141 Nd\n0.666667 0.333333 0.644973 Nd\n0.333333 0.666667 0.144973 Nd\n0.000000 0.000000 0.750775 Cd\n0.000000 0.000000 0.250775 Cd\n0.105841 0.211683 0.863363 Cd\n0.105841 0.894159 0.863363 Cd\n0.894159 0.788317 0.363363 Cd\n0.788317 0.894159 0.863363 Cd\n0.894159 0.105841 0.363363 Cd\n0.211683 0.105841 0.363363 Cd\n0.517283 0.034566 0.709725 Ru\n0.517283 0.482717 0.709725 Ru\n0.482717 0.965434 0.209725 Ru\n0.965434 0.482717 0.709725 Ru\n0.482717 0.517283 0.209725 Ru\n0.034566 0.517283 0.209725 Ru\n0.666667 0.333333 0.867584 Ru\n0.333333 0.666667 0.367584 Ru\n0.146697 0.293393 0.562219 Ru\n0.146697 0.853303 0.562219 Ru\n0.853303 0.706607 0.062219 Ru\n0.706607 0.853303 0.562219 Ru\n0.853303 0.146697 0.062219 Ru\n0.293393 0.146697 0.062219 Ru\n",
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],
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"density": 7.586784489541368,
"density_atomic": 0.034715517472414345,
"volume": 1958.778233798018,
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"formula_full": "Nd46 Cd8 Ru14",
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"formula_anonymous": "A4B7C23",
"energy": -373.49696772,
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"spacegroup": 186
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{
"id": "mp-726892",
"created_at": "2022-09-04T14:42:50.997640Z",
"structure_string": "Al4 Si8 O24\n1.0\n4.572716 2.639677 0.000000\n-4.572716 2.639677 0.000000\n0.000000 1.473777 19.303067\nAl Si O\n4 8 24\ndirect\n0.177983 0.355379 0.500044 Al\n0.644621 0.822017 0.999956 Al\n0.822017 0.644621 0.499956 Al\n0.355379 0.177983 0.000044 Al\n0.099188 0.613918 0.641037 Si\n0.386082 0.900812 0.858963 Si\n0.900812 0.386082 0.358963 Si\n0.613918 0.099188 0.141037 Si\n0.443898 0.303853 0.641176 Si\n0.696147 0.556102 0.858824 Si\n0.556102 0.696147 0.358824 Si\n0.303853 0.443898 0.141176 Si\n0.087652 0.587081 0.556292 O\n0.412919 0.912348 0.943708 O\n0.912348 0.412919 0.443708 O\n0.587081 0.087652 0.056292 O\n0.484266 0.379910 0.556367 O\n0.620090 0.515734 0.943633 O\n0.515734 0.620090 0.443633 O\n0.379910 0.484266 0.056367 O\n0.890572 0.986956 0.545028 O\n0.013044 0.109428 0.954972 O\n0.109428 0.013044 0.454972 O\n0.986956 0.890572 0.045028 O\n0.282738 0.953566 0.660033 O\n0.046434 0.717262 0.839967 O\n0.717262 0.046434 0.339967 O\n0.953566 0.282738 0.160033 O\n0.762876 0.466175 0.673642 O\n0.533825 0.237124 0.826358 O\n0.237124 0.533825 0.326358 O\n0.466175 0.762876 0.173642 O\n0.246512 0.433862 0.673852 O\n0.566138 0.753488 0.826148 O\n0.753488 0.566138 0.326148 O\n0.433862 0.246512 0.173852 O\n",
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"formula_full": "Al4 Si8 O24",
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{
"id": "mp-1222612",
"created_at": "2022-09-04T14:42:51.006877Z",
"structure_string": "Li2 Sn1 Ir1\n1.0\n0.000000 3.143837 3.143837\n3.143837 0.000000 3.143837\n3.143837 3.143837 0.000000\nLi Sn Ir\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Ir\n",
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{
"id": "mp-1214068",
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"structure_string": "Cr3 Cd1 F6\n1.0\n-3.500910 -5.314742 0.435376\n-4.028936 5.596584 -0.473865\n0.257199 0.881196 -15.332469\nCr Cd F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cd\n0.972765 0.279902 0.923359 F\n0.027235 0.720098 0.076641 F\n0.915700 0.948715 0.611906 F\n0.084300 0.051285 0.388094 F\n0.665275 0.786368 0.953999 F\n0.334725 0.213632 0.046001 F\n",
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{
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"structure_string": "Tb2 Co2 Sn4\n1.0\n2.188541 -9.169087 0.000000\n2.188541 9.169087 0.000000\n0.000000 0.000000 4.460880\nTb Co Sn\n2 2 4\ndirect\n0.113915 0.886085 0.750000 Tb\n0.886085 0.113915 0.250000 Tb\n0.680037 0.319963 0.250000 Co\n0.319963 0.680037 0.750000 Co\n0.548407 0.451593 0.250000 Sn\n0.251680 0.748320 0.250000 Sn\n0.451593 0.548407 0.750000 Sn\n0.748320 0.251680 0.750000 Sn\n",
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{
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"structure_string": "Ca2 Al24 O38\n1.0\n2.807940 -4.863495 0.000000\n2.807940 4.863495 0.000000\n0.000000 0.000000 22.050870\nCa Al O\n2 24 38\ndirect\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.750000 Ca\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.308969 Al\n0.666667 0.333333 0.808969 Al\n0.666667 0.333333 0.691031 Al\n0.333333 0.666667 0.191031 Al\n0.333333 0.666667 0.471954 Al\n0.666667 0.333333 0.971954 Al\n0.666667 0.333333 0.528046 Al\n0.333333 0.666667 0.028046 Al\n0.168345 0.831655 0.609569 Al\n0.168345 0.336689 0.609569 Al\n0.663311 0.831655 0.609569 Al\n0.336689 0.168345 0.109569 Al\n0.831655 0.663311 0.390431 Al\n0.831655 0.168345 0.109569 Al\n0.831655 0.663311 0.109569 Al\n0.168345 0.831655 0.890431 Al\n0.663311 0.831655 0.890431 Al\n0.336689 0.168345 0.390431 Al\n0.831655 0.168345 0.390431 Al\n0.168345 0.336689 0.890431 Al\n0.818412 0.636824 0.750000 O\n0.181588 0.818412 0.250000 O\n0.636824 0.818412 0.250000 O\n0.363176 0.181588 0.750000 O\n0.818412 0.181588 0.750000 O\n0.181588 0.363176 0.250000 O\n0.000000 0.000000 0.350070 O\n0.000000 0.000000 0.850070 O\n0.000000 0.000000 0.649930 O\n0.000000 0.000000 0.149930 O\n0.333333 0.666667 0.554756 O\n0.666667 0.333333 0.054756 O\n0.666667 0.333333 0.445244 O\n0.333333 0.666667 0.945244 O\n0.503505 0.496495 0.350443 O\n0.155166 0.844834 0.447721 O\n0.503505 0.007010 0.350443 O\n0.007010 0.503505 0.850443 O\n0.496495 0.992990 0.649557 O\n0.496495 0.503505 0.850443 O\n0.496495 0.992990 0.850443 O\n0.503505 0.496495 0.149557 O\n0.992990 0.496495 0.149557 O\n0.007010 0.503505 0.649557 O\n0.496495 0.503505 0.649557 O\n0.503505 0.007010 0.149557 O\n0.155166 0.310333 0.052279 O\n0.844834 0.155166 0.552279 O\n0.310333 0.155166 0.552279 O\n0.689667 0.844834 0.052279 O\n0.155166 0.844834 0.052279 O\n0.844834 0.689667 0.947721 O\n0.844834 0.155166 0.947721 O\n0.844834 0.689667 0.552279 O\n0.310333 0.155166 0.947721 O\n0.689667 0.844834 0.447721 O\n0.155166 0.310333 0.447721 O\n0.992990 0.496495 0.350443 O\n",
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{
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{
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"formula_full": "Mn6 O10 F2",
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{
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}