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{
"id": "mp-1387639",
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{
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{
"id": "mp-707521",
"created_at": "2022-09-04T14:46:19.063368Z",
"structure_string": "Mg16 Si8 H1 O32\n1.0\n8.210563 0.000000 0.000000\n0.015781 8.210020 0.000000\n0.062436 0.020648 8.232460\nMg Si H O\n16 8 1 32\ndirect\n0.377793 0.633916 0.376973 Mg\n0.872884 0.375490 0.123740 Mg\n0.625331 0.874839 0.874994 Mg\n0.125656 0.121994 0.626782 Mg\n0.874736 0.625653 0.875830 Mg\n0.391301 0.379885 0.650933 Mg\n0.123759 0.874059 0.374613 Mg\n0.626937 0.123908 0.124349 Mg\n0.873664 0.123380 0.374779 Mg\n0.375852 0.872698 0.123693 Mg\n0.123201 0.374837 0.873746 Mg\n0.626877 0.628343 0.624165 Mg\n0.375243 0.121036 0.873053 Mg\n0.874834 0.875717 0.625149 Mg\n0.631510 0.375944 0.378592 Mg\n0.124452 0.626266 0.123920 Mg\n0.999272 0.999150 0.999574 Si\n0.249909 0.750413 0.750074 Si\n0.499628 0.002037 0.499938 Si\n0.750087 0.750255 0.249731 Si\n0.500528 0.500732 0.004398 Si\n0.751918 0.249395 0.750569 Si\n0.997942 0.502746 0.497485 Si\n0.238959 0.236926 0.232861 Si\n0.251795 0.366890 0.451647 H\n0.634133 0.370112 0.631594 O\n0.131374 0.629733 0.867759 O\n0.370388 0.128067 0.126436 O\n0.868105 0.867897 0.368996 O\n0.617244 0.122205 0.380426 O\n0.119091 0.881769 0.118550 O\n0.881937 0.618469 0.619464 O\n0.380632 0.380255 0.889689 O\n0.127987 0.368053 0.126092 O\n0.630645 0.630146 0.369354 O\n0.870445 0.131722 0.630364 O\n0.368748 0.867901 0.868196 O\n0.119190 0.119238 0.881311 O\n0.618164 0.882752 0.618356 O\n0.380324 0.618054 0.123012 O\n0.882900 0.381066 0.380917 O\n0.131555 0.868549 0.630623 O\n0.631101 0.131855 0.868502 O\n0.868782 0.630615 0.131259 O\n0.347399 0.362862 0.370708 O\n0.120661 0.618586 0.379811 O\n0.616204 0.380580 0.124407 O\n0.381040 0.123523 0.618413 O\n0.881221 0.881199 0.881013 O\n0.631057 0.868436 0.131328 O\n0.128437 0.128479 0.365657 O\n0.370132 0.630421 0.631086 O\n0.869760 0.369033 0.867460 O\n0.618025 0.617603 0.881955 O\n0.128253 0.380985 0.607658 O\n0.881389 0.119201 0.118842 O\n0.380809 0.884396 0.381305 O\n",
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{
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"created_at": "2022-09-04T14:46:19.084347Z",
"structure_string": "La2 P1 I2\n1.0\n2.168014 -3.755110 0.000000\n2.168014 3.755110 0.000000\n0.000000 0.000000 11.060384\nLa P I\n2 1 2\ndirect\n0.333333 0.666667 0.853936 La\n0.666667 0.333333 0.146064 La\n0.000000 0.000000 0.000000 P\n0.666667 0.333333 0.660592 I\n0.333333 0.666667 0.339408 I\n",
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{
"id": "mp-30712",
"created_at": "2022-09-04T14:46:32.157315Z",
"structure_string": "Sm2 Zn17\n1.0\n5.134095 -4.510740 0.000000\n5.134095 4.510740 0.000000\n1.171027 0.000000 6.733083\nSm Zn\n2 17\ndirect\n0.664681 0.664681 0.664681 Sm\n0.335319 0.335319 0.335319 Sm\n0.350817 0.350817 0.838542 Zn\n0.838542 0.350817 0.350817 Zn\n0.099216 0.099216 0.099216 Zn\n0.900784 0.900784 0.900784 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.294817 0.705183 0.000000 Zn\n0.705183 0.000000 0.294817 Zn\n0.000000 0.294817 0.705183 Zn\n0.705183 0.294817 0.000000 Zn\n0.294817 0.000000 0.705183 Zn\n0.000000 0.705183 0.294817 Zn\n0.161458 0.649183 0.649183 Zn\n0.649183 0.649183 0.161458 Zn\n0.649183 0.161458 0.649183 Zn\n0.350817 0.838542 0.350817 Zn\n",
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{
"id": "mp-1102199",
"created_at": "2022-09-04T14:46:32.231922Z",
"structure_string": "Pb4 I4 O4\n1.0\n3.592645 0.000000 0.000000\n0.000000 8.235415 0.000000\n0.000000 0.000000 11.411837\nPb I O\n4 4 4\ndirect\n0.250000 0.660048 0.568193 Pb\n0.250000 0.160048 0.931807 Pb\n0.750000 0.339952 0.431807 Pb\n0.750000 0.839952 0.068193 Pb\n0.250000 0.974173 0.329761 I\n0.250000 0.474173 0.170239 I\n0.750000 0.025827 0.670239 I\n0.750000 0.525827 0.829761 I\n0.250000 0.381485 0.544797 O\n0.250000 0.881485 0.955203 O\n0.750000 0.618515 0.455203 O\n0.750000 0.118515 0.044797 O\n",
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{
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"structure_string": "Ho6 Mg6 Se18\n1.0\n6.890471 0.000000 0.000000\n-3.445235 5.967323 0.000000\n0.000000 0.000000 19.278401\nHo Mg Se\n6 6 18\ndirect\n0.000000 0.000000 0.344807 Ho\n0.000000 0.000000 0.655193 Ho\n0.666667 0.333333 0.678140 Ho\n0.666667 0.333333 0.988526 Ho\n0.333333 0.666667 0.011474 Ho\n0.333333 0.666667 0.321860 Ho\n0.000000 0.000000 0.159788 Mg\n0.000000 0.000000 0.840212 Mg\n0.666667 0.333333 0.493121 Mg\n0.666667 0.333333 0.173545 Mg\n0.333333 0.666667 0.826455 Mg\n0.333333 0.666667 0.506879 Mg\n0.990018 0.349298 0.582277 Se\n0.009982 0.650702 0.417723 Se\n0.650702 0.640719 0.582277 Se\n0.349298 0.359281 0.417723 Se\n0.359281 0.009982 0.582277 Se\n0.640719 0.990018 0.417723 Se\n0.656685 0.682631 0.915610 Se\n0.676649 0.984035 0.751056 Se\n0.317369 0.974052 0.915610 Se\n0.015965 0.692613 0.751056 Se\n0.025947 0.343315 0.915610 Se\n0.307387 0.323351 0.751056 Se\n0.323351 0.015965 0.248944 Se\n0.343315 0.317369 0.084390 Se\n0.984035 0.307387 0.248944 Se\n0.682631 0.025947 0.084390 Se\n0.692613 0.676649 0.248944 Se\n0.974052 0.656685 0.084390 Se\n",
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{
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"structure_string": "Mg14 Cr1 Ni1\n1.0\n6.226905 -0.000000 0.000000\n-3.113452 5.392657 0.000000\n-0.000000 -0.000000 9.934670\nMg Cr Ni\n14 1 1\ndirect\n0.165148 0.832573 0.125000 Mg\n0.169326 0.834662 0.625000 Mg\n0.667427 0.334852 0.125000 Mg\n0.665338 0.330674 0.625000 Mg\n0.667427 0.832573 0.125000 Mg\n0.665338 0.834662 0.625000 Mg\n0.326333 0.173667 0.369180 Mg\n0.326333 0.173667 0.880820 Mg\n0.326333 0.652668 0.369180 Mg\n0.326333 0.652668 0.880820 Mg\n0.847332 0.173667 0.369180 Mg\n0.847332 0.173667 0.880820 Mg\n0.833333 0.666667 0.376524 Mg\n0.833333 0.666667 0.873476 Mg\n0.166667 0.333333 0.625000 Cr\n0.166667 0.333333 0.125000 Ni\n",
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{
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"structure_string": "Nd2 Ge3 Rh1\n1.0\n4.180227 0.000000 0.000000\n0.000000 4.314458 0.000000\n0.000000 0.000000 7.404235\nNd Ge Rh\n2 3 1\ndirect\n0.500000 0.500000 0.006904 Nd\n0.500000 0.000000 0.494992 Nd\n0.000000 0.000000 0.836966 Ge\n0.000000 0.000000 0.174983 Ge\n0.000000 0.500000 0.657687 Ge\n0.000000 0.500000 0.328468 Rh\n",
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{
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"structure_string": "Mn3 Cr1 Co2 P6 O24\n1.0\n7.324627 -4.288736 0.000000\n7.324627 4.288736 0.000000\n4.813474 0.000000 6.990986\nMn Cr Co P O\n3 1 2 6 24\ndirect\n0.642132 0.642132 0.642132 Mn\n0.857691 0.857691 0.857691 Mn\n0.357392 0.357392 0.357392 Mn\n0.140829 0.140829 0.140829 Cr\n0.000118 0.000118 0.000118 Co\n0.499353 0.499353 0.499353 Co\n0.542383 0.958751 0.250000 P\n0.250000 0.542383 0.958751 P\n0.958751 0.250000 0.542383 P\n0.039621 0.749709 0.459022 P\n0.749709 0.459022 0.039621 P\n0.459022 0.039621 0.749709 P\n0.308023 0.512217 0.118202 O\n0.118202 0.308023 0.512217 O\n0.512217 0.118202 0.308023 O\n0.742647 0.939722 0.089813 O\n0.385466 0.991219 0.189885 O\n0.555641 0.759621 0.417143 O\n0.089813 0.742647 0.939722 O\n0.417143 0.555641 0.759621 O\n0.009552 0.808076 0.617983 O\n0.759621 0.417143 0.555641 O\n0.054984 0.910635 0.261018 O\n0.808076 0.617983 0.009552 O\n0.189885 0.385466 0.991219 O\n0.939722 0.089813 0.742647 O\n0.238292 0.585749 0.444769 O\n0.991219 0.189885 0.385466 O\n0.585749 0.444769 0.238292 O\n0.910635 0.261018 0.054984 O\n0.444769 0.238292 0.585749 O\n0.617983 0.009552 0.808076 O\n0.261018 0.054984 0.910635 O\n0.495425 0.879723 0.687207 O\n0.879723 0.687207 0.495425 O\n0.687207 0.495425 0.879723 O\n",
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},
{
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"structure_string": "K2 Fe22 O34\n1.0\n5.188380 2.995097 0.000000\n-5.188380 2.995097 0.000000\n0.000000 0.085631 24.058907\nK Fe O\n2 22 34\ndirect\n0.666205 0.333795 0.500000 K\n0.333620 0.666380 0.000000 K\n0.832127 0.168871 0.355231 Fe\n0.831129 0.167873 0.644769 Fe\n0.665461 0.335453 0.924332 Fe\n0.667458 0.336070 0.775421 Fe\n0.000121 0.000841 0.749605 Fe\n0.664547 0.334539 0.075668 Fe\n0.999159 0.999879 0.250395 Fe\n0.335944 0.168644 0.355074 Fe\n0.335541 0.169412 0.643152 Fe\n0.663930 0.332542 0.224579 Fe\n0.830588 0.664459 0.356848 Fe\n0.831356 0.664056 0.644926 Fe\n0.165736 0.333890 0.851582 Fe\n0.171167 0.337486 0.141512 Fe\n0.662514 0.828833 0.858488 Fe\n0.332701 0.666295 0.424239 Fe\n0.666110 0.834264 0.148418 Fe\n0.333705 0.667299 0.575761 Fe\n0.332263 0.665775 0.724734 Fe\n0.334225 0.667737 0.275266 Fe\n0.164954 0.830202 0.856846 Fe\n0.169798 0.835046 0.143154 Fe\n0.850093 0.163891 0.801215 O\n0.836109 0.149907 0.198785 O\n0.503421 0.008395 0.396223 O\n0.504029 0.008950 0.603092 O\n0.666112 0.333888 0.000000 O\n0.004571 0.010568 0.891626 O\n0.312517 0.163987 0.801129 O\n0.989432 0.995429 0.108374 O\n0.000102 0.000725 0.392685 O\n0.312135 0.156996 0.198120 O\n0.999275 0.999898 0.607315 O\n0.991605 0.496579 0.603777 O\n0.991050 0.495971 0.396908 O\n0.667008 0.334166 0.303783 O\n0.665834 0.332992 0.696217 O\n0.156003 0.314776 0.299409 O\n0.156660 0.314381 0.698474 O\n0.503806 0.495837 0.395984 O\n0.504163 0.496194 0.604016 O\n0.505636 0.515195 0.103146 O\n0.484805 0.494364 0.896854 O\n0.843004 0.687865 0.801880 O\n0.836013 0.687483 0.198871 O\n0.330638 0.662159 0.805441 O\n0.337841 0.669362 0.194559 O\n0.006930 0.504334 0.102430 O\n0.007369 0.496609 0.895523 O\n0.685619 0.843340 0.301526 O\n0.685224 0.843997 0.700591 O\n0.334291 0.665709 0.500000 O\n0.495666 0.993070 0.897570 O\n0.503391 0.992631 0.104477 O\n0.156660 0.843299 0.299555 O\n0.156701 0.843340 0.700445 O\n",
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{
"id": "mp-1198957",
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"structure_string": "Sm4 Zn34\n1.0\n9.044540 0.000000 0.000000\n-4.522270 7.832801 0.000000\n0.000000 0.000000 8.733322\nSm Zn\n4 34\ndirect\n0.000000 0.000000 0.250000 Sm\n0.000000 0.000000 0.750000 Sm\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666667 0.401403 Zn\n0.666667 0.333333 0.598597 Zn\n0.666667 0.333333 0.901403 Zn\n0.333333 0.666667 0.098597 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.328864 0.365597 0.250000 Zn\n0.634403 0.963267 0.250000 Zn\n0.036733 0.671136 0.250000 Zn\n0.634403 0.671136 0.250000 Zn\n0.036733 0.365597 0.250000 Zn\n0.328864 0.963267 0.250000 Zn\n0.671136 0.634403 0.750000 Zn\n0.365597 0.036733 0.750000 Zn\n0.963267 0.328864 0.750000 Zn\n0.365597 0.328864 0.750000 Zn\n0.963267 0.634403 0.750000 Zn\n0.671136 0.036733 0.750000 Zn\n0.161718 0.838282 0.518312 Zn\n0.161718 0.323436 0.518312 Zn\n0.676564 0.838282 0.518312 Zn\n0.838282 0.161718 0.481688 Zn\n0.838282 0.676564 0.481688 Zn\n0.323436 0.161718 0.481688 Zn\n0.838282 0.161718 0.018312 Zn\n0.838282 0.676564 0.018312 Zn\n0.323436 0.161718 0.018312 Zn\n0.161718 0.838282 0.981688 Zn\n0.161718 0.323436 0.981688 Zn\n0.676564 0.838282 0.981688 Zn\n",
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"elements": [
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],
"chemical_system": "Sm-Zn",
"density": 7.582941193795365,
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"volume": 618.7041795208537,
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"formula_full": "Sm4 Zn34",
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]
}