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{
"id": "mp-772809",
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"structure_string": "K2 Sn2 P2 C2 O14\n1.0\n6.582540 0.000000 0.000000\n0.000000 5.316859 0.000000\n0.000000 0.358045 10.614368\nK Sn P C O\n2 2 2 2 14\ndirect\n0.606686 0.777124 0.805633 K\n0.106686 0.222876 0.194367 K\n0.220098 0.219005 0.641571 Sn\n0.720098 0.780995 0.358429 Sn\n0.723481 0.274447 0.556470 P\n0.223481 0.725553 0.443530 P\n0.265880 0.292001 0.874213 C\n0.765880 0.707999 0.125787 C\n0.799918 0.671595 0.013423 O\n0.244839 0.063547 0.824805 O\n0.250710 0.478364 0.784716 O\n0.906660 0.210188 0.643006 O\n0.539059 0.199441 0.639023 O\n0.227913 0.865737 0.568342 O\n0.716907 0.562978 0.523658 O\n0.216907 0.437022 0.476342 O\n0.727913 0.134263 0.431658 O\n0.039059 0.800559 0.360977 O\n0.406660 0.789812 0.356994 O\n0.750710 0.521636 0.215284 O\n0.744839 0.936453 0.175195 O\n0.299918 0.328405 0.986577 O\n",
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{
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"structure_string": "Na2 Cr2 As2 C2 O14\n1.0\n6.472455 0.000000 0.000000\n0.000000 5.372645 0.000000\n0.000000 0.440771 9.255123\nNa Cr As C O\n2 2 2 2 14\ndirect\n0.515273 0.769430 0.782729 Na\n0.015273 0.230570 0.217271 Na\n0.237540 0.207671 0.666424 Cr\n0.737540 0.792329 0.333576 Cr\n0.745312 0.283017 0.565443 As\n0.245312 0.716983 0.434557 As\n0.255668 0.273594 0.920484 C\n0.755668 0.726406 0.079516 C\n0.749239 0.678424 0.951616 O\n0.249726 0.051428 0.865425 O\n0.266089 0.450721 0.810675 O\n0.949771 0.207397 0.680121 O\n0.543865 0.191856 0.674984 O\n0.259170 0.877204 0.589935 O\n0.730495 0.597088 0.523404 O\n0.230495 0.402912 0.476596 O\n0.759170 0.122796 0.410065 O\n0.043865 0.808144 0.325016 O\n0.449771 0.792603 0.319879 O\n0.766089 0.549279 0.189325 O\n0.749726 0.948572 0.134575 O\n0.249239 0.321576 0.048384 O\n",
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"elements": [
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"formula_full": "Na2 Cr2 As2 C2 O14",
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{
"id": "mp-1202896",
"created_at": "2022-09-04T14:48:09.118549Z",
"structure_string": "Fe4 Mo4 H4 Se4 O28\n1.0\n2.785082 10.081185 0.000000\n-2.785082 10.081185 0.000000\n0.000000 9.192193 10.253300\nFe Mo H Se O\n4 4 4 4 28\ndirect\n0.615797 0.917178 0.377671 Fe\n0.082822 0.384203 0.122329 Fe\n0.384203 0.082822 0.622329 Fe\n0.917178 0.615797 0.877671 Fe\n0.041551 0.750112 0.409464 Mo\n0.249888 0.958449 0.090536 Mo\n0.958449 0.249888 0.590536 Mo\n0.750112 0.041551 0.909464 Mo\n0.764926 0.296327 0.268273 H\n0.703673 0.235074 0.231727 H\n0.235074 0.703673 0.731727 H\n0.296327 0.764926 0.768273 H\n0.228106 0.523025 0.176151 Se\n0.476975 0.771894 0.323849 Se\n0.771894 0.476975 0.823849 Se\n0.523025 0.228106 0.676151 Se\n0.838249 0.161751 0.250000 O\n0.161752 0.838249 0.750000 O\n0.004107 0.865677 0.485202 O\n0.134323 0.995893 0.014798 O\n0.995893 0.134323 0.514798 O\n0.865677 0.004107 0.985202 O\n0.301532 0.698468 0.250000 O\n0.698468 0.301532 0.750000 O\n0.233269 0.426503 0.496993 O\n0.573497 0.766731 0.003007 O\n0.766731 0.573497 0.503007 O\n0.426503 0.233269 0.996993 O\n0.702927 0.920961 0.474872 O\n0.079039 0.297073 0.025128 O\n0.297073 0.079039 0.525128 O\n0.920961 0.702927 0.974872 O\n0.984401 0.728280 0.284161 O\n0.271720 0.015599 0.215839 O\n0.015599 0.271720 0.715839 O\n0.728280 0.984401 0.784161 O\n0.477724 0.254442 0.253862 O\n0.745558 0.522276 0.246138 O\n0.522276 0.745558 0.746138 O\n0.254442 0.477724 0.753862 O\n0.103100 0.448203 0.214923 O\n0.551797 0.896900 0.285077 O\n0.896900 0.551797 0.785077 O\n0.448203 0.103100 0.714923 O\n",
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"density": 3.9655823463144704,
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"volume": 575.7623088019072,
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"formula_full": "Fe4 Mo4 H4 Se4 O28",
"formula_reduced": "FeMoHSeO7",
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},
{
"id": "mp-1224537",
"created_at": "2022-09-04T14:39:17.502665Z",
"structure_string": "Gd2 Ti2 Cd2 Sb2 O14\n1.0\n-3.609979 3.739043 5.150503\n3.609979 -3.739043 5.150503\n3.609979 3.739043 -5.150503\nGd Ti Cd Sb O\n2 2 2 2 14\ndirect\n0.500000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.926852 0.176852 0.750000 O\n0.328395 0.578395 0.750000 O\n0.934775 0.581705 0.760937 O\n0.320768 0.173838 0.739063 O\n0.934775 0.173838 0.353070 O\n0.320768 0.581705 0.146930 O\n0.073148 0.823148 0.250000 O\n0.671605 0.421605 0.250000 O\n0.065225 0.418295 0.239063 O\n0.679232 0.826162 0.260937 O\n0.065225 0.826162 0.646930 O\n0.679232 0.418295 0.853070 O\n0.625545 0.875545 0.750000 O\n0.374455 0.124455 0.250000 O\n",
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"elements": [
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],
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"density": 6.583844312723059,
"density_atomic": 0.07911301026355219,
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"formula_full": "Gd2 Ti2 Cd2 Sb2 O14",
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"spacegroup": 74
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{
"id": "mp-768161",
"created_at": "2022-09-04T14:41:57.176736Z",
"structure_string": "Li2 Si2 P2 C2 O14\n1.0\n6.030129 0.000000 0.000000\n0.000000 4.968681 0.000000\n0.000000 0.694334 8.409003\nLi Si P C O\n2 2 2 2 14\ndirect\n0.478234 0.768098 0.805464 Li\n0.978234 0.231902 0.194536 Li\n0.248102 0.211335 0.666079 Si\n0.748102 0.788665 0.333921 Si\n0.754262 0.263950 0.567139 P\n0.254262 0.736050 0.432861 P\n0.251544 0.273373 0.931057 C\n0.751544 0.726627 0.068943 C\n0.734665 0.686731 0.927223 O\n0.253141 0.036324 0.866867 O\n0.263510 0.465163 0.808973 O\n0.956779 0.202903 0.672790 O\n0.551918 0.192142 0.672822 O\n0.258380 0.900404 0.580768 O\n0.751613 0.568902 0.507114 O\n0.251613 0.431098 0.492886 O\n0.758380 0.099596 0.419232 O\n0.051918 0.807858 0.327178 O\n0.456779 0.797097 0.327210 O\n0.763510 0.534837 0.191027 O\n0.753141 0.963676 0.133133 O\n0.234665 0.313269 0.072777 O\n",
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{
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"created_at": "2022-09-04T14:47:10.044950Z",
"structure_string": "Li2 Cu2 P2 C2 O14\n1.0\n6.412109 0.000000 0.000000\n0.000000 5.001830 0.000000\n0.000000 0.511542 8.443180\nLi Cu P C O\n2 2 2 2 14\ndirect\n0.013295 0.219462 0.248262 Li\n0.513295 0.780538 0.751738 Li\n0.745874 0.792295 0.338926 Cu\n0.245874 0.207705 0.661074 Cu\n0.253010 0.718948 0.424781 P\n0.753010 0.281052 0.575219 P\n0.746873 0.725076 0.060499 C\n0.246873 0.274924 0.939501 C\n0.566664 0.175753 0.677150 O\n0.751752 0.958297 0.122632 O\n0.263929 0.468536 0.828536 O\n0.763929 0.531464 0.171464 O\n0.436528 0.788708 0.312688 O\n0.769864 0.154981 0.413208 O\n0.936528 0.211292 0.687312 O\n0.269864 0.845019 0.586792 O\n0.066664 0.824247 0.322850 O\n0.231946 0.408772 0.460628 O\n0.723466 0.692153 0.917749 O\n0.223466 0.307847 0.082251 O\n0.731946 0.591228 0.539372 O\n0.251752 0.041703 0.877368 O\n",
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{
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"structure_string": "Na2 Zr2 P2 C2 O14\n1.0\n6.683711 0.000000 0.000000\n0.000000 5.793755 0.000000\n0.000000 0.392983 9.345002\nNa Zr P C O\n2 2 2 2 14\ndirect\n0.484149 0.770300 0.812929 Na\n0.984149 0.229700 0.187071 Na\n0.235041 0.209622 0.652989 Zr\n0.735041 0.790378 0.347011 Zr\n0.740782 0.270692 0.549898 P\n0.240782 0.729308 0.450102 P\n0.269828 0.278385 0.925100 C\n0.769828 0.721615 0.074900 C\n0.759191 0.686370 0.946459 O\n0.262727 0.069423 0.868038 O\n0.281965 0.444600 0.820541 O\n0.925504 0.216661 0.645023 O\n0.552188 0.192971 0.632467 O\n0.258434 0.863111 0.590362 O\n0.732341 0.533334 0.510504 O\n0.232341 0.466666 0.489496 O\n0.758434 0.136889 0.409638 O\n0.052188 0.807029 0.367533 O\n0.425504 0.783339 0.354977 O\n0.781965 0.555400 0.179459 O\n0.762727 0.930577 0.131962 O\n0.259191 0.313630 0.053541 O\n",
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{
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"created_at": "2022-09-04T14:40:35.391508Z",
"structure_string": "Na4 V4 P4 C4 O28\n1.0\n-0.000105 6.303234 -0.000025\n0.462087 -0.000050 10.659183\n9.082735 -0.000130 -5.328813\nNa V P C O\n4 4 4 4 28\ndirect\n0.469323 0.226880 0.223522 Na\n0.469314 0.726922 0.223608 Na\n0.969308 0.773101 0.776508 Na\n0.969343 0.273109 0.776417 Na\n0.771794 0.062626 0.338471 V\n0.271894 0.937455 0.661522 V\n0.771715 0.562603 0.338463 V\n0.271781 0.437362 0.661543 V\n0.263542 0.581622 0.442810 P\n0.263613 0.081630 0.442804 P\n0.763509 0.418383 0.557215 P\n0.763580 0.918361 0.557192 P\n0.739554 0.401489 0.085747 C\n0.739600 0.901522 0.085821 C\n0.239568 0.598520 0.914251 C\n0.239628 0.098466 0.914183 C\n0.241866 0.181202 0.043177 O\n0.241852 0.681175 0.043215 O\n0.741877 0.818824 0.956847 O\n0.741865 0.318807 0.956768 O\n0.743546 0.543819 0.145492 O\n0.743626 0.043855 0.145531 O\n0.243571 0.456171 0.854507 O\n0.243668 0.956169 0.854479 O\n0.735289 0.364769 0.191773 O\n0.735348 0.864833 0.191858 O\n0.235309 0.635218 0.808221 O\n0.235381 0.135201 0.808157 O\n0.063732 0.564266 0.345788 O\n0.063891 0.064255 0.345788 O\n0.563829 0.435714 0.654206 O\n0.563934 0.935727 0.654216 O\n0.453597 0.572101 0.346751 O\n0.453700 0.072146 0.346801 O\n0.953645 0.427869 0.653214 O\n0.953779 0.927831 0.653170 O\n0.750705 0.274538 0.421457 O\n0.750688 0.774535 0.421417 O\n0.250743 0.725471 0.578539 O\n0.250676 0.225455 0.578558 O\n0.264495 0.457433 0.479553 O\n0.264608 0.957472 0.479594 O\n0.764489 0.542555 0.520427 O\n0.764621 0.042536 0.520419 O\n",
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{
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