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{
"id": "mp-1073812",
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{
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{
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"structure_string": "Mo8 H16 N4 O26\n1.0\n8.426068 0.000000 0.000000\n-2.893259 7.978227 0.000000\n-2.871245 -3.752493 9.286507\nMo H N O\n8 16 4 26\ndirect\n0.226657 0.539423 0.039377 Mo\n0.773343 0.460577 0.960623 Mo\n0.938977 0.119346 0.727716 Mo\n0.061023 0.880654 0.272284 Mo\n0.922017 0.504977 0.707289 Mo\n0.077983 0.495023 0.292711 Mo\n0.773896 0.849434 0.946272 Mo\n0.226104 0.150566 0.053728 Mo\n0.755852 0.121769 0.334870 H\n0.244148 0.878231 0.665130 H\n0.411965 0.088260 0.713420 H\n0.588035 0.911740 0.286580 H\n0.441976 0.904264 0.638188 H\n0.558024 0.095736 0.361812 H\n0.441402 0.958818 0.804802 H\n0.558598 0.041182 0.195198 H\n0.681808 0.552104 0.465751 H\n0.318192 0.447896 0.534249 H\n0.649595 0.742349 0.486143 H\n0.350405 0.257651 0.513857 H\n0.814400 0.720125 0.429310 H\n0.185600 0.279875 0.570690 H\n0.409589 0.405455 0.679892 H\n0.590411 0.594545 0.320108 H\n0.615439 0.043781 0.297037 N\n0.384561 0.956219 0.702963 N\n0.684388 0.653032 0.425778 N\n0.315612 0.346968 0.574222 N\n0.929007 0.019516 0.883748 O\n0.070993 0.980484 0.116252 O\n0.218727 0.305103 0.934381 O\n0.781273 0.694897 0.065619 O\n0.453910 0.660268 0.163248 O\n0.546090 0.339732 0.836752 O\n0.029832 0.660290 0.641609 O\n0.970168 0.339710 0.358391 O\n0.898428 0.350996 0.867199 O\n0.101572 0.649004 0.132801 O\n0.877120 0.641102 0.857666 O\n0.122880 0.358898 0.142334 O\n0.048518 0.009641 0.650950 O\n0.951482 0.990359 0.349050 O\n0.295280 0.015453 0.951758 O\n0.704720 0.984547 0.048242 O\n0.003334 0.312904 0.659082 O\n0.996666 0.687096 0.340918 O\n0.705833 0.987830 0.616397 O\n0.294167 0.012170 0.383603 O\n0.695872 0.385732 0.575901 O\n0.304128 0.614268 0.424099 O\n0.212941 0.621092 0.897793 O\n0.787059 0.378908 0.102207 O\n0.421658 0.278821 0.211307 O\n0.578342 0.721179 0.788693 O\n",
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"spacegroup": 2
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{
"id": "mp-1080304",
"created_at": "2022-09-04T14:42:56.377869Z",
"structure_string": "Ce6 Se12\n1.0\n7.516707 -12.052126 0.000000\n7.516707 12.052126 0.000000\n-11.807414 0.000000 7.895543\nCe Se\n6 12\ndirect\n0.796915 0.796915 0.175500 Ce\n0.175500 0.796915 0.796915 Ce\n0.796915 0.175500 0.796915 Ce\n0.203085 0.203085 0.824500 Ce\n0.824500 0.203085 0.203085 Ce\n0.203085 0.824500 0.203085 Ce\n0.000000 0.000000 0.500000 Se\n0.500000 0.000000 0.000000 Se\n0.000000 0.500000 0.000000 Se\n0.000000 0.821091 0.178909 Se\n0.178909 0.000000 0.821091 Se\n0.821091 0.178909 0.000000 Se\n0.178909 0.821091 0.000000 Se\n0.000000 0.178909 0.821091 Se\n0.821091 0.000000 0.178909 Se\n0.500000 0.500000 0.000000 Se\n0.000000 0.500000 0.500000 Se\n0.500000 0.000000 0.500000 Se\n",
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"density": 2.0757057570529946,
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"volume": 1430.5507981704625,
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"formula_full": "Ce6 Se12",
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"updated_at": "2021-11-28T01:35:55.624000Z",
"spacegroup": 166
},
{
"id": "mp-1219711",
"created_at": "2022-09-04T14:42:56.999658Z",
"structure_string": "Pt1 W1\n1.0\n4.681122 -1.406686 0.000000\n4.681122 1.406686 0.000000\n4.258410 0.000000 2.399502\nPt W\n1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 W\n",
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"density": 19.91145394563403,
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"updated_at": "2021-11-28T01:35:59.034000Z",
"spacegroup": 166
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{
"id": "mp-706335",
"created_at": "2022-09-04T14:42:56.186718Z",
"structure_string": "Mg3 P4 H28 N2 O24\n1.0\n6.761136 0.000000 0.000000\n-1.066577 7.669806 0.000000\n-1.298662 -2.928357 10.272487\nMg P H N O\n3 4 28 2 24\ndirect\n0.000000 0.000000 0.000000 Mg\n0.659854 0.240900 0.403051 Mg\n0.340146 0.759100 0.596949 Mg\n0.750914 0.334291 0.128021 P\n0.249086 0.665709 0.871979 P\n0.795555 0.695206 0.527253 P\n0.204445 0.304794 0.472747 P\n0.844077 0.612639 0.265474 H\n0.155923 0.387361 0.734526 H\n0.013228 0.775892 0.717113 H\n0.986772 0.224108 0.282887 H\n0.626834 0.781064 0.026127 H\n0.373166 0.218936 0.973873 H\n0.821691 0.727883 0.093350 H\n0.178309 0.272117 0.906650 H\n0.269315 0.054600 0.231690 H\n0.730685 0.945400 0.768310 H\n0.292905 0.884653 0.115166 H\n0.707095 0.115347 0.884834 H\n0.679174 0.943343 0.216518 H\n0.320826 0.056657 0.783482 H\n0.698146 0.884996 0.344721 H\n0.301854 0.115004 0.655279 H\n0.898356 0.187042 0.590100 H\n0.101644 0.812958 0.409900 H\n0.704269 0.041507 0.584266 H\n0.295731 0.958493 0.415734 H\n0.343086 0.582878 0.131492 H\n0.656914 0.417122 0.868508 H\n0.429096 0.452395 0.227793 H\n0.570904 0.547605 0.772207 H\n0.178298 0.438209 0.181322 H\n0.821702 0.561791 0.818678 H\n0.307271 0.628473 0.289543 H\n0.692729 0.371527 0.710457 H\n0.316063 0.526158 0.207744 N\n0.683937 0.473842 0.792256 N\n0.628289 0.290649 0.990756 O\n0.371711 0.709351 0.009244 O\n0.931463 0.229765 0.129043 O\n0.068537 0.770235 0.870957 O\n0.617872 0.305383 0.229449 O\n0.382128 0.694617 0.770551 O\n0.850122 0.546919 0.169756 O\n0.149878 0.453081 0.830244 O\n0.013313 0.771136 0.622242 O\n0.986687 0.228864 0.377758 O\n0.647878 0.812737 0.591815 O\n0.352122 0.187263 0.408185 O\n0.735180 0.496353 0.516715 O\n0.264820 0.503647 0.483285 O\n0.837704 0.738412 0.399316 O\n0.162296 0.261588 0.600684 O\n0.774392 0.826782 0.061490 O\n0.225608 0.173218 0.938510 O\n0.202389 0.970972 0.147210 O\n0.797611 0.029028 0.852790 O\n0.628377 0.963963 0.300266 O\n0.371623 0.036037 0.699734 O\n0.747736 0.166802 0.577071 O\n0.252264 0.833198 0.422929 O\n",
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{
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"structure_string": "Sr6 Sc2 B6 O18\n1.0\n4.706845 -6.140516 0.000000\n4.706845 6.140516 0.000000\n-3.304028 0.000000 6.995980\nSr Sc B O\n6 2 6 18\ndirect\n0.159841 0.262510 0.650521 Sr\n0.650521 0.159841 0.262510 Sr\n0.262510 0.650521 0.159841 Sr\n0.840159 0.737490 0.349479 Sr\n0.349479 0.840159 0.737490 Sr\n0.737490 0.349479 0.840159 Sr\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.288201 0.041315 0.372590 B\n0.372590 0.288201 0.041315 B\n0.041315 0.372590 0.288201 B\n0.627410 0.711799 0.958685 B\n0.958685 0.627410 0.711799 B\n0.711799 0.958685 0.627410 B\n0.176840 0.256214 0.981824 O\n0.981824 0.176840 0.256214 O\n0.450754 0.190579 0.926748 O\n0.190579 0.926748 0.450754 O\n0.926748 0.450754 0.190579 O\n0.073252 0.549246 0.809421 O\n0.549246 0.809422 0.073252 O\n0.809422 0.073252 0.549246 O\n0.491873 0.431663 0.216248 O\n0.431663 0.216248 0.491873 O\n0.216248 0.491873 0.431663 O\n0.508127 0.568337 0.783752 O\n0.568337 0.783752 0.508127 O\n0.783752 0.508127 0.568337 O\n0.743786 0.018176 0.823160 O\n0.018176 0.823160 0.743786 O\n0.823160 0.743786 0.018176 O\n0.256214 0.981824 0.176840 O\n",
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{
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"structure_string": "Ca4 Fe8 P8 H4 O36\n1.0\n0.000000 0.000000 6.485989\n9.683712 0.000000 0.000000\n0.000000 10.930442 0.000000\nCa Fe P H O\n4 8 8 4 36\ndirect\n0.000000 0.931330 0.267667 Ca\n0.000000 0.068670 0.732333 Ca\n0.000000 0.431330 0.232333 Ca\n0.000000 0.568670 0.767667 Ca\n0.262517 0.500000 0.500000 Fe\n0.737483 0.000000 0.000000 Fe\n0.737483 0.500000 0.500000 Fe\n0.262517 0.000000 0.000000 Fe\n0.500000 0.840429 0.442387 Fe\n0.500000 0.159571 0.557613 Fe\n0.500000 0.340429 0.057613 Fe\n0.500000 0.659571 0.942387 Fe\n0.500000 0.588790 0.254744 P\n0.500000 0.411210 0.745256 P\n0.500000 0.088790 0.245256 P\n0.500000 0.911210 0.754744 P\n0.000000 0.706636 0.021617 P\n0.000000 0.293364 0.978383 P\n0.000000 0.206636 0.478383 P\n0.000000 0.793364 0.521617 P\n0.500000 0.823089 0.115360 H\n0.500000 0.176911 0.884640 H\n0.500000 0.323089 0.384640 H\n0.500000 0.676911 0.615360 H\n0.304256 0.524379 0.312829 O\n0.304256 0.475621 0.687171 O\n0.695744 0.024379 0.187171 O\n0.695744 0.975621 0.812829 O\n0.695744 0.475621 0.687171 O\n0.695744 0.524379 0.312829 O\n0.304256 0.975621 0.812829 O\n0.304256 0.024379 0.187171 O\n0.500000 0.748191 0.271244 O\n0.500000 0.251809 0.728756 O\n0.500000 0.248191 0.228756 O\n0.500000 0.751809 0.771244 O\n0.500000 0.550048 0.114544 O\n0.500000 0.449952 0.885456 O\n0.500000 0.050048 0.385456 O\n0.500000 0.949952 0.614544 O\n0.000000 0.868696 0.033028 O\n0.000000 0.131304 0.966972 O\n0.000000 0.368696 0.466972 O\n0.000000 0.631304 0.533028 O\n0.186818 0.841635 0.440763 O\n0.186818 0.158365 0.559237 O\n0.813182 0.341635 0.059237 O\n0.813182 0.658365 0.940763 O\n0.813182 0.158365 0.559237 O\n0.813182 0.841635 0.440763 O\n0.186818 0.658365 0.940763 O\n0.186818 0.341635 0.059237 O\n0.000000 0.651596 0.151140 O\n0.000000 0.348404 0.848860 O\n0.000000 0.151596 0.348860 O\n0.000000 0.848404 0.651140 O\n0.500000 0.838666 0.025891 O\n0.500000 0.161334 0.974109 O\n0.500000 0.338666 0.474109 O\n0.500000 0.661334 0.525891 O\n",
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{
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