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{
"id": "mp-1303744",
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{
"id": "mp-1217579",
"created_at": "2022-09-04T14:45:41.619272Z",
"structure_string": "Tb1 Al1 Cu4\n1.0\n2.591567 -4.488726 0.000000\n2.591567 4.488726 0.000000\n0.000000 0.000000 4.034773\nTb Al Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.000000 Al\n0.666667 0.333333 0.000000 Cu\n0.501050 0.002100 0.500000 Cu\n0.997900 0.498950 0.500000 Cu\n0.501050 0.498950 0.500000 Cu\n",
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{
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"created_at": "2022-09-04T14:45:41.631378Z",
"structure_string": "Ba3 Sr1 Y8 Cu4 O20\n1.0\n5.696276 0.000000 0.000000\n0.000000 7.235820 0.000000\n0.000000 0.024494 12.220683\nBa Sr Y Cu O\n3 1 8 4 20\ndirect\n0.000000 0.069838 0.094988 Ba\n0.500000 0.568603 0.406109 Ba\n0.500000 0.930894 0.904933 Ba\n0.000000 0.425731 0.591780 Sr\n0.000000 0.894559 0.427411 Y\n0.000000 0.603246 0.925415 Y\n0.500000 0.105836 0.574164 Y\n0.500000 0.396132 0.073907 Y\n0.000000 0.612649 0.214097 Y\n0.000000 0.886129 0.711842 Y\n0.500000 0.387798 0.785742 Y\n0.500000 0.113165 0.287925 Y\n0.000000 0.220990 0.837052 Cu\n0.000000 0.281948 0.340177 Cu\n0.500000 0.781466 0.161580 Cu\n0.500000 0.718121 0.660320 Cu\n0.000000 0.578111 0.407141 O\n0.000000 0.916048 0.899442 O\n0.500000 0.418829 0.598434 O\n0.500000 0.082932 0.100202 O\n0.746584 0.853635 0.273209 O\n0.252219 0.643437 0.770379 O\n0.242832 0.150135 0.725199 O\n0.754276 0.354764 0.228302 O\n0.757168 0.150135 0.725199 O\n0.245724 0.354764 0.228302 O\n0.253416 0.853635 0.273209 O\n0.747781 0.643437 0.770379 O\n0.256069 0.662704 0.068133 O\n0.742724 0.838413 0.567944 O\n0.756370 0.336771 0.932119 O\n0.242561 0.163628 0.433383 O\n0.243630 0.336771 0.932119 O\n0.757439 0.163628 0.433383 O\n0.743931 0.662704 0.068133 O\n0.257276 0.838413 0.567944 O\n",
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"formula_full": "Ba3 Sr1 Y8 Cu4 O20",
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{
"id": "mp-1246286",
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"structure_string": "Mg2 Ga4 S8\n1.0\n6.363494 -0.000114 3.674085\n2.121129 5.999588 3.673960\n0.000029 -0.000133 7.348122\nMg Ga S\n2 4 8\ndirect\n0.874992 0.875002 0.875016 Mg\n0.125014 0.124994 0.124994 Mg\n0.500002 0.500027 0.499962 Ga\n0.500000 0.499992 0.999995 Ga\n0.999997 0.499989 0.500019 Ga\n0.499991 0.000001 0.500009 Ga\n0.738756 0.738745 0.738737 S\n0.261246 0.261258 0.716237 S\n0.261243 0.716238 0.261266 S\n0.716244 0.261250 0.261257 S\n0.738747 0.283763 0.738727 S\n0.283757 0.738743 0.738746 S\n0.261246 0.261246 0.261275 S\n0.738769 0.738745 0.283763 S\n",
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"density": 3.4568450219684816,
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"volume": 280.542327061461,
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"formula_full": "Mg2 Ga4 S8",
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{
"id": "mp-1016276",
"created_at": "2022-09-04T14:45:42.085019Z",
"structure_string": "Ca1 Mg7\n1.0\n3.323864 -5.757102 0.000000\n3.323864 5.757102 0.000000\n0.000000 0.000000 5.257563\nCa Mg\n1 7\ndirect\n0.000000 0.000000 0.500000 Ca\n0.004628 0.502314 0.500000 Mg\n0.497686 0.502314 0.500000 Mg\n0.497686 0.995372 0.500000 Mg\n0.170198 0.340396 0.000000 Mg\n0.170198 0.829802 0.000000 Mg\n0.659604 0.829802 0.000000 Mg\n0.666667 0.333333 0.000000 Mg\n",
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{
"id": "mp-1211147",
"created_at": "2022-09-04T14:45:41.503686Z",
"structure_string": "Li2 Pr2 Mo4 O16\n1.0\n6.008986 0.000000 0.000000\n0.000000 5.117741 0.000000\n0.000000 4.202955 10.385124\nLi Pr Mo O\n2 2 4 16\ndirect\n0.716311 0.000000 0.750000 Li\n0.283689 0.000000 0.250000 Li\n0.284875 0.500000 0.750000 Pr\n0.715125 0.500000 0.250000 Pr\n0.819253 0.735533 0.523253 Mo\n0.180747 0.264467 0.476747 Mo\n0.819253 0.264467 0.976747 Mo\n0.180747 0.735533 0.023253 Mo\n0.898626 0.863149 0.092094 O\n0.101374 0.136851 0.907906 O\n0.898626 0.136851 0.407906 O\n0.101374 0.863149 0.592094 O\n0.364128 0.723443 0.897528 O\n0.635872 0.276557 0.102472 O\n0.364128 0.276557 0.602472 O\n0.635872 0.723443 0.397528 O\n0.913361 0.631564 0.886808 O\n0.086639 0.368436 0.113192 O\n0.913361 0.368436 0.613192 O\n0.086639 0.631564 0.386808 O\n0.630757 0.780156 0.637742 O\n0.369243 0.219844 0.362258 O\n0.630757 0.219844 0.862258 O\n0.369243 0.780156 0.137742 O\n",
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{
"id": "mp-1037175",
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"structure_string": "Mg30 Co1 Ni1 O32\n1.0\n8.516459 0.000000 0.000000\n0.000000 8.504155 0.000000\n0.000000 0.000000 8.504155\nMg Co Ni O\n30 1 1 32\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.250489 0.250489 Mg\n0.000000 0.250489 0.749511 Mg\n0.000000 0.749511 0.250489 Mg\n0.000000 0.749511 0.749511 Mg\n0.500000 0.249888 0.249888 Mg\n0.500000 0.249888 0.750112 Mg\n0.500000 0.750112 0.249888 Mg\n0.500000 0.750112 0.750112 Mg\n0.249958 0.000000 0.249209 Mg\n0.249958 0.000000 0.750791 Mg\n0.249720 0.500000 0.250316 Mg\n0.249720 0.500000 0.749684 Mg\n0.750042 0.000000 0.249209 Mg\n0.750042 0.000000 0.750791 Mg\n0.750280 0.500000 0.250316 Mg\n0.750280 0.500000 0.749684 Mg\n0.249958 0.249209 0.000000 Mg\n0.249720 0.250316 0.500000 Mg\n0.249958 0.750791 0.000000 Mg\n0.249720 0.749684 0.500000 Mg\n0.750042 0.249209 0.000000 Mg\n0.750280 0.250316 0.500000 Mg\n0.750042 0.750791 0.000000 Mg\n0.750280 0.749684 0.500000 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ni\n0.254742 0.000000 0.000000 O\n0.249754 0.000000 0.500000 O\n0.249754 0.500000 0.000000 O\n0.251320 0.500000 0.500000 O\n0.745258 0.000000 0.000000 O\n0.750246 0.000000 0.500000 O\n0.750246 0.500000 0.000000 O\n0.748680 0.500000 0.500000 O\n0.249627 0.250049 0.250049 O\n0.249627 0.250049 0.749951 O\n0.249627 0.749951 0.250049 O\n0.249627 0.749951 0.749951 O\n0.750373 0.250049 0.250049 O\n0.750373 0.250049 0.749951 O\n0.750373 0.749951 0.250049 O\n0.750373 0.749951 0.749951 O\n0.000000 0.000000 0.251622 O\n0.000000 0.000000 0.748378 O\n0.000000 0.500000 0.248510 O\n0.000000 0.500000 0.751490 O\n0.500000 0.000000 0.250356 O\n0.500000 0.000000 0.749644 O\n0.500000 0.500000 0.250135 O\n0.500000 0.500000 0.749865 O\n0.000000 0.251622 0.000000 O\n0.000000 0.248510 0.500000 O\n0.000000 0.748378 0.000000 O\n0.000000 0.751490 0.500000 O\n0.500000 0.250356 0.000000 O\n0.500000 0.250135 0.500000 O\n0.500000 0.749644 0.000000 O\n0.500000 0.749865 0.500000 O\n",
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{
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{
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{
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"structure_string": "Ba8 In8 Si12 S4 O40\n1.0\n5.384484 0.000000 0.000000\n0.000000 8.917335 0.000000\n0.000000 0.000000 23.371866\nBa In Si S O\n8 8 12 4 40\ndirect\n0.641930 0.604009 0.275439 Ba\n0.358070 0.104009 0.724561 Ba\n0.641930 0.104009 0.224561 Ba\n0.358070 0.604009 0.775439 Ba\n0.627244 0.755254 0.093226 Ba\n0.372756 0.255254 0.906774 Ba\n0.627244 0.255254 0.406774 Ba\n0.372756 0.755254 0.593226 Ba\n0.617158 0.774974 0.435133 In\n0.382842 0.274974 0.564867 In\n0.617158 0.274974 0.064867 In\n0.382842 0.774974 0.935133 In\n0.048121 0.934799 0.348224 In\n0.951879 0.434799 0.651776 In\n0.048121 0.434799 0.151776 In\n0.951879 0.934799 0.848224 In\n0.129322 0.999905 0.487847 Si\n0.870678 0.499905 0.512153 Si\n0.129322 0.499905 0.012153 Si\n0.870678 0.999905 0.987847 Si\n0.119867 0.560390 0.392983 Si\n0.880133 0.060390 0.607017 Si\n0.119867 0.060390 0.107017 Si\n0.880133 0.560390 0.892983 Si\n0.119894 0.809932 0.203548 Si\n0.880106 0.309932 0.796452 Si\n0.119894 0.309932 0.296452 Si\n0.880106 0.809932 0.703548 Si\n0.505792 0.930362 0.346986 S\n0.494208 0.430362 0.653014 S\n0.505792 0.430362 0.153014 S\n0.494208 0.930362 0.846986 S\n0.325759 0.861090 0.485794 O\n0.674241 0.361090 0.514206 O\n0.325759 0.361090 0.014206 O\n0.674241 0.861090 0.985794 O\n0.419746 0.579790 0.392853 O\n0.580254 0.079790 0.607147 O\n0.419746 0.079790 0.107147 O\n0.580254 0.579790 0.892853 O\n0.419716 0.806155 0.203140 O\n0.580284 0.306155 0.796860 O\n0.419716 0.306155 0.296860 O\n0.580284 0.806155 0.703140 O\n0.025462 0.950939 0.160471 O\n0.974538 0.450939 0.839529 O\n0.025462 0.450939 0.339529 O\n0.974538 0.950939 0.660471 O\n0.016065 0.972559 0.049981 O\n0.983935 0.472559 0.950019 O\n0.016065 0.472559 0.450019 O\n0.983935 0.972559 0.549981 O\n0.267153 0.663452 0.011173 O\n0.732847 0.163452 0.988827 O\n0.267153 0.163452 0.488827 O\n0.732847 0.663452 0.511173 O\n0.081533 0.989814 0.936410 O\n0.918467 0.489814 0.063590 O\n0.081533 0.489814 0.563590 O\n0.918467 0.989814 0.436410 O\n0.047024 0.712673 0.883447 O\n0.952976 0.212673 0.116553 O\n0.047024 0.212673 0.616553 O\n0.952976 0.712673 0.383447 O\n0.018793 0.846603 0.764488 O\n0.981207 0.346603 0.235512 O\n0.018793 0.346603 0.735512 O\n0.981207 0.846603 0.264488 O\n0.021089 0.660349 0.677946 O\n0.978911 0.160349 0.322054 O\n0.021089 0.160349 0.822054 O\n0.978911 0.660349 0.177946 O\n",
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{
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"structure_string": "Y2 Mn4 Al2 B4 O16\n1.0\n-3.373646 0.000000 0.033037\n-0.015947 0.000000 -9.392366\n0.000000 -9.891524 0.000000\nY Mn Al B O\n2 4 2 4 16\ndirect\n0.269531 0.088062 0.391418 Y\n0.769531 0.588062 0.108582 Y\n0.275554 0.686590 0.419711 Mn\n0.775554 0.186590 0.080289 Mn\n0.746008 0.324247 0.603072 Mn\n0.246008 0.824247 0.896928 Mn\n0.807418 0.924772 0.618418 Al\n0.307418 0.424772 0.881582 Al\n0.274607 0.373313 0.313992 B\n0.774607 0.873313 0.186008 B\n0.686362 0.627864 0.668532 B\n0.186362 0.127864 0.831468 B\n0.271066 0.511248 0.265607 O\n0.771066 0.011248 0.234393 O\n0.564038 0.503294 0.732156 O\n0.064038 0.003294 0.767844 O\n0.290080 0.884576 0.529369 O\n0.790080 0.384576 0.970631 O\n0.768610 0.103189 0.533306 O\n0.268610 0.603189 0.966694 O\n0.302961 0.260933 0.223326 O\n0.802961 0.760933 0.276674 O\n0.716063 0.761283 0.733410 O\n0.216063 0.261283 0.766590 O\n0.248888 0.335837 0.450157 O\n0.748888 0.835837 0.049843 O\n0.778816 0.614794 0.534089 O\n0.278816 0.114794 0.965911 O\n",
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}