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{
"id": "mp-1223036",
"created_at": "2022-09-04T14:40:37.142923Z",
"structure_string": "La2 B8 Ir4 Os4\n1.0\n0.000000 0.000000 4.014714\n7.687153 0.000000 0.000000\n0.000000 7.687153 0.000000\nLa B Ir Os\n2 8 4 4\ndirect\n0.251446 0.250000 0.250000 La\n0.751446 0.750000 0.750000 La\n0.359961 0.911199 0.035026 B\n0.359961 0.588801 0.464974 B\n0.859961 0.535026 0.088801 B\n0.859961 0.964974 0.411199 B\n0.642555 0.086453 0.970480 B\n0.642555 0.413547 0.529520 B\n0.142555 0.470480 0.913547 B\n0.142555 0.029520 0.586453 B\n0.140124 0.402460 0.640058 Ir\n0.140124 0.097540 0.859942 Ir\n0.640124 0.140058 0.597540 Ir\n0.640124 0.359942 0.902460 Ir\n0.856638 0.604720 0.358633 Os\n0.856638 0.895280 0.141367 Os\n0.356638 0.858633 0.395280 Os\n0.356638 0.641367 0.104720 Os\n",
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{
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"updated_at": "2021-11-28T01:34:57.794000Z",
"spacegroup": 74
},
{
"id": "mp-865440",
"created_at": "2022-09-04T14:40:32.463310Z",
"structure_string": "U6 Co12 Ge4 C1\n1.0\n-4.340771 4.340771 4.340771\n4.340771 -4.340771 4.340771\n4.340771 4.340771 -4.340771\nU Co Ge C\n6 12 4 1\ndirect\n0.000000 0.279265 0.279265 U\n0.000000 0.720735 0.720735 U\n0.279265 0.000000 0.279265 U\n0.279265 0.279265 0.000000 U\n0.720735 0.000000 0.720735 U\n0.720735 0.720735 0.000000 U\n0.702112 0.351056 0.351056 Co\n0.000000 0.351056 0.648944 Co\n0.297888 0.648944 0.648944 Co\n0.000000 0.648944 0.351056 Co\n0.351056 0.702112 0.351056 Co\n0.351056 0.351056 0.702112 Co\n0.351056 0.000000 0.648944 Co\n0.351056 0.648944 0.000000 Co\n0.648944 0.000000 0.351056 Co\n0.648944 0.648944 0.297888 Co\n0.648944 0.297888 0.648944 Co\n0.648944 0.351056 0.000000 Co\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.500000 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 C\n",
"nsites": 23,
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"elements": [
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],
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"formula_full": "U6 Co12 Ge4 C1",
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"energy": -188.9961187,
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"updated_at": "2021-11-28T01:34:57.793000Z",
"spacegroup": 229
},
{
"id": "mp-1195112",
"created_at": "2022-09-04T14:40:36.204378Z",
"structure_string": "Ba22 B52 P4 H12 O116\n1.0\n6.991597 0.000000 0.000500\n0.000000 13.818181 0.000000\n0.020179 0.000000 25.994469\nBa B P H O\n22 52 4 12 116\ndirect\n0.157175 0.324324 0.803654 Ba\n0.842825 0.824324 0.696346 Ba\n0.842825 0.675676 0.196346 Ba\n0.157175 0.175676 0.303654 Ba\n0.863873 0.326894 0.652742 Ba\n0.136127 0.826894 0.847258 Ba\n0.136127 0.673106 0.347258 Ba\n0.863873 0.173106 0.152742 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 -0.000000 0.000000 Ba\n0.810421 0.521977 0.915558 Ba\n0.189579 0.021977 0.584442 Ba\n0.189579 0.478023 0.084442 Ba\n0.810421 0.978023 0.415558 Ba\n0.480180 0.562458 0.725696 Ba\n0.519820 0.062458 0.774304 Ba\n0.519820 0.437542 0.274304 Ba\n0.480180 0.937542 0.225696 Ba\n0.674486 0.214600 0.908701 Ba\n0.325514 0.714600 0.591299 Ba\n0.325514 0.785400 0.091299 Ba\n0.674486 0.285400 0.408701 Ba\n0.013141 0.575529 0.739760 B\n0.986859 0.075529 0.760240 B\n0.986859 0.424471 0.260240 B\n0.013141 0.924471 0.239760 B\n0.809829 0.658920 0.805873 B\n0.190171 0.158920 0.694127 B\n0.190171 0.341080 0.194127 B\n0.809829 0.841080 0.305873 B\n0.014916 0.073436 0.859455 B\n0.985084 0.573436 0.640545 B\n0.985084 0.926564 0.140545 B\n0.014916 0.426564 0.359455 B\n0.302044 0.477007 0.607702 B\n0.697956 0.977007 0.892298 B\n0.697956 0.522993 0.392298 B\n0.302044 0.022993 0.107702 B\n0.480526 0.658457 0.851032 B\n0.519474 0.158457 0.648968 B\n0.519474 0.341543 0.148968 B\n0.480526 0.841543 0.351032 B\n0.665887 0.533102 0.599010 B\n0.334113 0.033102 0.900990 B\n0.334113 0.466898 0.400990 B\n0.665887 0.966898 0.099010 B\n0.519119 0.395019 0.547110 B\n0.480881 0.895019 0.952890 B\n0.480881 0.604981 0.452890 B\n0.519119 0.104981 0.047110 B\n0.329850 0.311800 0.659898 B\n0.670150 0.811800 0.840102 B\n0.670150 0.688200 0.340102 B\n0.329850 0.188200 0.159898 B\n0.341245 0.522001 0.900619 B\n0.658755 0.022001 0.599381 B\n0.658755 0.477999 0.099381 B\n0.341245 0.977999 0.400619 B\n0.145050 0.587464 0.827651 B\n0.854950 0.087464 0.672349 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O\n0.476525 0.237334 0.135984 O\n0.079091 0.563851 0.690950 O\n0.920909 0.063851 0.809050 O\n0.920909 0.436149 0.309050 O\n0.079091 0.936149 0.190950 O\n0.213761 0.266680 0.696231 O\n0.786239 0.766680 0.803769 O\n0.786239 0.733320 0.303769 O\n0.213761 0.233320 0.196231 O\n0.853674 0.630221 0.751414 O\n0.146326 0.130221 0.748586 O\n0.146326 0.369779 0.248586 O\n0.853674 0.869779 0.251414 O\n0.968044 0.636879 0.840982 O\n0.031956 0.136879 0.659018 O\n0.031956 0.363121 0.159018 O\n0.968044 0.863121 0.340982 O\n0.049252 0.176800 0.872541 O\n0.950748 0.676800 0.627459 O\n0.950748 0.823200 0.127459 O\n0.049252 0.323200 0.372541 O\n0.636536 0.612836 0.823287 O\n0.363464 0.112836 0.676713 O\n0.363464 0.387164 0.176713 O\n0.636536 0.887164 0.323287 O\n0.458234 0.601635 0.901121 O\n0.541766 0.101635 0.598879 O\n0.541766 0.398365 0.098879 O\n0.458234 0.898365 0.401121 O\n0.183916 0.512449 0.869243 O\n0.816084 0.012449 0.630757 O\n0.816084 0.487551 0.130757 O\n0.183916 0.987551 0.369243 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"spacegroup": 14
},
{
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"created_at": "2022-09-04T14:40:32.125077Z",
"structure_string": "Li10 V6 P16 O58\n1.0\n9.771368 0.000000 0.000000\n4.861121 8.499397 0.000000\n0.014531 0.000878 14.075347\nLi V P O\n10 6 16 58\ndirect\n0.682284 0.230508 0.940985 Li\n0.684762 0.087100 0.435885 Li\n0.231653 0.673881 0.439132 Li\n0.336089 0.335098 0.114740 Li\n0.089335 0.675864 0.939610 Li\n0.234887 0.088362 0.941446 Li\n0.095635 0.235002 0.437860 Li\n0.772497 0.317006 0.559772 Li\n0.311604 0.910597 0.559374 Li\n0.996877 0.996836 0.010654 Li\n0.998475 0.568714 0.749716 V\n0.994014 0.436663 0.246782 V\n0.570906 0.995806 0.250594 V\n0.434531 0.001839 0.751846 V\n0.564090 0.433442 0.755658 V\n0.435648 0.567725 0.246979 V\n0.686597 0.223295 0.157925 P\n0.679736 0.089851 0.655802 P\n0.233541 0.677240 0.657925 P\n0.328634 0.334930 0.875023 P\n0.332577 0.334271 0.370764 P\n0.087302 0.687651 0.153856 P\n0.917341 0.771153 0.339003 P\n0.223582 0.091612 0.157739 P\n0.778114 0.916191 0.838654 P\n0.087148 0.233055 0.656616 P\n0.917126 0.308679 0.840802 P\n0.666156 0.664274 0.632585 P\n0.667756 0.666102 0.128334 P\n0.769375 0.319959 0.341137 P\n0.314181 0.914304 0.341001 P\n0.308382 0.776224 0.840504 P\n0.767012 0.235663 0.429776 O\n0.662910 0.255735 0.665911 O\n0.797805 0.005286 0.918545 O\n0.659738 0.080574 0.168504 O\n0.521636 0.372731 0.167174 O\n0.486367 0.323083 0.839135 O\n0.379933 0.516803 0.678618 O\n0.202374 0.790501 0.920688 O\n0.255649 0.657273 0.161715 O\n0.486241 0.184623 0.335104 O\n0.517996 0.101987 0.681003 O\n0.334938 0.482580 0.327594 O\n0.320507 0.342775 0.981898 O\n0.319408 0.342865 0.476347 O\n0.184741 0.489596 0.832970 O\n0.373140 0.106193 0.168339 O\n0.318851 0.190281 0.837479 O\n0.084803 0.659271 0.667942 O\n0.990073 0.796559 0.241766 O\n0.013250 0.762441 0.422193 O\n0.009062 0.768321 0.063429 O\n0.095882 0.523412 0.169064 O\n0.184659 0.332302 0.325310 O\n0.919662 0.742685 0.838016 O\n0.099900 0.381930 0.678960 O\n0.251160 0.083839 0.659619 O\n0.798886 0.986859 0.738946 O\n0.742298 0.017738 0.562188 O\n0.237023 0.005040 0.430099 O\n0.748456 0.914749 0.341056 O\n0.909808 0.617731 0.320749 O\n0.079101 0.261128 0.167394 O\n0.815959 0.661804 0.682291 O\n0.919269 0.465176 0.829319 O\n0.010181 0.205209 0.921014 O\n0.001934 0.248554 0.565090 O\n0.987333 0.215449 0.741328 O\n0.920577 0.336534 0.339309 O\n0.669835 0.808776 0.172336 O\n0.622180 0.915423 0.832107 O\n0.816050 0.515782 0.177480 O\n0.677738 0.649986 0.024088 O\n0.679319 0.658869 0.527500 O\n0.670136 0.513677 0.673684 O\n0.473795 0.906377 0.322080 O\n0.515807 0.815268 0.669906 O\n0.744999 0.340486 0.842488 O\n0.791468 0.212233 0.248936 O\n0.774593 0.210803 0.068620 O\n0.621441 0.479305 0.327781 O\n0.521802 0.660578 0.173219 O\n0.465330 0.620286 0.832212 O\n0.340246 0.917235 0.838766 O\n0.210419 0.016038 0.068785 O\n0.206929 0.001730 0.249274 O\n0.332272 0.749642 0.341281 O\n0.242779 0.750016 0.566289 O\n0.215739 0.796947 0.741159 O\n",
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