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{
"id": "mp-600216",
"created_at": "2022-09-04T14:42:04.586855Z",
"structure_string": "U8 Se12\n1.0\n3.986490 0.000000 0.000000\n0.000000 10.994668 0.000000\n0.000000 0.000000 11.069623\nU Se\n8 12\ndirect\n0.750000 0.815999 0.486853 U\n0.750000 0.490646 0.310278 U\n0.250000 0.990646 0.189722 U\n0.750000 0.009354 0.810278 U\n0.250000 0.315999 0.013147 U\n0.750000 0.684001 0.986853 U\n0.250000 0.509354 0.689722 U\n0.250000 0.184001 0.513147 U\n0.250000 0.554921 0.124945 Se\n0.750000 0.371390 0.551586 Se\n0.250000 0.628610 0.448414 Se\n0.250000 0.295150 0.274672 Se\n0.250000 0.204850 0.774672 Se\n0.750000 0.128610 0.051586 Se\n0.750000 0.704850 0.725328 Se\n0.250000 0.871390 0.948414 Se\n0.750000 0.795150 0.225328 Se\n0.750000 0.054921 0.375055 Se\n0.750000 0.445079 0.875055 Se\n0.250000 0.945079 0.624945 Se\n",
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{
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"structure_string": "Na4 U4 V4 O28\n1.0\n-7.055183 0.000000 3.099222\n0.000000 -8.590215 0.000000\n7.022517 0.000000 7.531574\nNa U V O\n4 4 4 28\ndirect\n0.989277 0.010515 0.490333 Na\n0.489277 0.489485 0.990333 Na\n0.317605 0.991700 0.845112 Na\n0.817605 0.508300 0.345112 Na\n0.688253 0.519965 0.678714 U\n0.809473 0.020002 0.819311 U\n0.309473 0.479998 0.319311 U\n0.188253 0.980035 0.178714 U\n0.470851 0.851627 0.560839 V\n0.030871 0.343971 0.935571 V\n0.530871 0.156029 0.435571 V\n0.970851 0.648373 0.060839 V\n0.270187 0.706462 0.892336 O\n0.257007 0.147747 0.638884 O\n0.757007 0.352253 0.138884 O\n0.770187 0.793538 0.392336 O\n0.668618 0.791383 0.709730 O\n0.832744 0.290182 0.783648 O\n0.332744 0.209818 0.283648 O\n0.168618 0.708617 0.209730 O\n0.526470 0.501721 0.773563 O\n0.988229 0.001237 0.735738 O\n0.488229 0.498763 0.235738 O\n0.026470 0.998279 0.273563 O\n0.282785 0.872537 0.606600 O\n0.222768 0.338154 0.899393 O\n0.722768 0.161846 0.399393 O\n0.782785 0.627463 0.106600 O\n0.463300 0.655626 0.493921 O\n0.018192 0.150468 0.006345 O\n0.518192 0.349532 0.506345 O\n0.963300 0.844374 0.993921 O\n0.432023 0.941509 0.385908 O\n0.080140 0.439637 0.109744 O\n0.580140 0.060363 0.609744 O\n0.932023 0.558491 0.885908 O\n0.847575 0.543469 0.581256 O\n0.630632 0.037624 0.898053 O\n0.130632 0.462376 0.398053 O\n0.347575 0.956531 0.081256 O\n",
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"formula_full": "Na4 U4 V4 O28",
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},
{
"id": "mp-1271978",
"created_at": "2022-09-04T14:42:19.740085Z",
"structure_string": "Fe12 O16\n1.0\n1.776644 4.947375 3.043061\n0.034712 0.001570 6.063339\n10.506325 0.017258 0.060300\nFe O\n12 16\ndirect\n0.499104 0.748628 0.750963 Fe\n0.502438 0.997372 0.496929 Fe\n0.998709 0.250566 0.750708 Fe\n0.499678 0.747438 0.246887 Fe\n0.499362 0.251597 0.751957 Fe\n0.126065 0.193845 0.062599 Fe\n0.123910 0.695133 0.563585 Fe\n0.874612 0.307322 0.437780 Fe\n0.874800 0.805197 0.936906 Fe\n0.499734 0.251100 0.249090 Fe\n0.498401 0.502516 0.001346 Fe\n0.001630 0.749124 0.249185 Fe\n0.255060 0.381429 0.126009 O\n0.247565 0.895796 0.625642 O\n0.735686 0.118464 0.382165 O\n0.763204 0.603563 0.866672 O\n0.740228 0.869419 0.129996 O\n0.753517 0.363545 0.633983 O\n0.738579 0.391472 0.132353 O\n0.726753 0.890723 0.626368 O\n0.266820 0.107637 0.378248 O\n0.266421 0.610945 0.863809 O\n0.259246 0.872886 0.130796 O\n0.257906 0.355555 0.627791 O\n0.258383 0.631626 0.371852 O\n0.248819 0.135485 0.864100 O\n0.728210 0.643563 0.380494 O\n0.755161 0.128054 0.861785 O\n",
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"elements": [
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],
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"volume": 314.92018922403355,
"volume_molar": 6.773191813117733,
"formula_full": "Fe12 O16",
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"formula_anonymous": "A3B4",
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"updated_at": "2021-11-28T01:35:41.231000Z",
"spacegroup": 1
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{
"id": "mp-14972",
"created_at": "2022-09-04T14:41:00.586453Z",
"structure_string": "Ba18 Sc6 B18 O54\n1.0\n4.681483 -8.108566 0.000000\n4.681483 8.108566 0.000000\n0.000000 0.000000 17.648798\nBa Sc B O\n18 6 18 54\ndirect\n0.666667 0.333333 0.058575 Ba\n0.333333 0.666667 0.558575 Ba\n0.666667 0.333333 0.558575 Ba\n0.333333 0.666667 0.058575 Ba\n0.347606 0.000000 0.406996 Ba\n0.347606 0.347606 0.906996 Ba\n0.000000 0.652394 0.906996 Ba\n0.000000 0.347606 0.406996 Ba\n0.652394 0.652394 0.406996 Ba\n0.652394 0.000000 0.906996 Ba\n0.318195 0.000000 0.654320 Ba\n0.318195 0.318195 0.154320 Ba\n0.000000 0.681805 0.154320 Ba\n0.000000 0.318195 0.654320 Ba\n0.681805 0.681805 0.654320 Ba\n0.681805 0.000000 0.154320 Ba\n0.000000 0.000000 0.497032 Ba\n0.000000 0.000000 0.997032 Ba\n0.000000 0.000000 0.784104 Sc\n0.000000 0.000000 0.284104 Sc\n0.333333 0.666667 0.277296 Sc\n0.666667 0.333333 0.777296 Sc\n0.333333 0.666667 0.777296 Sc\n0.666667 0.333333 0.277296 Sc\n0.660904 0.000000 0.707623 B\n0.660904 0.660904 0.207623 B\n0.000000 0.339096 0.207623 B\n0.000000 0.660904 0.707623 B\n0.339096 0.339096 0.707623 B\n0.339096 0.000000 0.207623 B\n0.672466 0.000000 0.348215 B\n0.672466 0.672466 0.848215 B\n0.000000 0.327534 0.848215 B\n0.000000 0.672466 0.348215 B\n0.327534 0.327534 0.348215 B\n0.327534 0.000000 0.848215 B\n0.667364 0.000000 0.529426 B\n0.667364 0.667364 0.029426 B\n0.000000 0.332636 0.029426 B\n0.000000 0.667364 0.529426 B\n0.332636 0.332636 0.529426 B\n0.332636 0.000000 0.029426 B\n0.672724 0.523943 0.844065 O\n0.476057 0.148781 0.844065 O\n0.851219 0.327276 0.844065 O\n0.148781 0.672724 0.344065 O\n0.327276 0.476057 0.344065 O\n0.523943 0.851219 0.344065 O\n0.672724 0.148781 0.344065 O\n0.523943 0.672724 0.844065 O\n0.148781 0.476057 0.844065 O\n0.851219 0.523943 0.344065 O\n0.476057 0.327276 0.344065 O\n0.327276 0.851219 0.844065 O\n0.667263 0.815902 0.029845 O\n0.184098 0.851362 0.029845 O\n0.148638 0.332737 0.029845 O\n0.851362 0.667263 0.529845 O\n0.332737 0.184098 0.529845 O\n0.815902 0.148638 0.529845 O\n0.667263 0.851362 0.529845 O\n0.815902 0.667263 0.029845 O\n0.851362 0.184098 0.029845 O\n0.148638 0.815902 0.529845 O\n0.184098 0.332737 0.529845 O\n0.332737 0.148638 0.029845 O\n0.820212 0.000000 0.357978 O\n0.820212 0.820212 0.857978 O\n0.000000 0.179788 0.857978 O\n0.000000 0.820212 0.357978 O\n0.179788 0.179788 0.357978 O\n0.179788 0.000000 0.857978 O\n0.809445 0.000000 0.716500 O\n0.809445 0.809445 0.216500 O\n0.000000 0.190555 0.216500 O\n0.000000 0.809445 0.716500 O\n0.190555 0.190555 0.716500 O\n0.190555 0.000000 0.216500 O\n0.518738 0.000000 0.529319 O\n0.518738 0.518738 0.029319 O\n0.000000 0.481262 0.029319 O\n0.000000 0.518738 0.529319 O\n0.481262 0.481262 0.529319 O\n0.481262 0.000000 0.029319 O\n0.487320 0.149093 0.202106 O\n0.850907 0.338227 0.202106 O\n0.661773 0.512680 0.202106 O\n0.338227 0.487320 0.702106 O\n0.512680 0.850907 0.702106 O\n0.149093 0.661773 0.702106 O\n0.487320 0.338227 0.702106 O\n0.149093 0.487320 0.202106 O\n0.338227 0.850907 0.202106 O\n0.661773 0.149093 0.702106 O\n0.850907 0.512680 0.702106 O\n0.512680 0.661773 0.202106 O\n",
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"elements": [
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"formula_full": "Ba18 Sc6 B18 O54",
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"spacegroup": 185
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{
"id": "mp-1185411",
"created_at": "2022-09-04T14:39:30.458966Z",
"structure_string": "Li1 Eu3\n1.0\n-2.600146 2.600146 5.728918\n2.600146 -2.600146 5.728918\n2.600146 2.600146 -5.728918\nLi Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Eu\n0.250000 0.750000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n",
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{
"id": "mp-1273218",
"created_at": "2022-09-04T14:43:09.148915Z",
"structure_string": "Sr2 La2 Mn2 Ru2 O12\n1.0\n4.895595 -0.017721 2.733275\n-3.385351 4.709247 5.712390\n-1.627309 -4.648364 2.873735\nSr La Mn Ru O\n2 2 2 2 12\ndirect\n0.491733 0.244511 0.001161 Sr\n0.991743 0.744506 0.501144 Sr\n0.492278 0.743784 0.001208 La\n0.992284 0.243787 0.501188 La\n0.495882 0.995365 0.500258 Mn\n0.995915 0.495353 0.000103 Mn\n0.497938 0.497897 0.500560 Ru\n0.997917 0.997860 0.000563 Ru\n0.706335 0.546919 0.777831 O\n0.206340 0.046927 0.277840 O\n0.790224 0.462600 0.307276 O\n0.290195 0.962601 0.807317 O\n0.004861 0.241220 0.916471 O\n0.504861 0.741207 0.416463 O\n0.994782 0.760170 0.063756 O\n0.494804 0.260227 0.563732 O\n0.228761 0.536025 0.711328 O\n0.728739 0.036032 0.211360 O\n0.297191 0.471499 0.220205 O\n0.797220 0.971505 0.720238 O\n",
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"formula_full": "Sr2 La2 Mn2 Ru2 O12",
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{
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