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{
"id": "mp-728733",
"created_at": "2022-09-04T14:45:36.212933Z",
"structure_string": "Co2 H36 C8 N16 Cl8 O8\n1.0\n11.411476 0.000000 0.000000\n0.000000 6.501369 0.000000\n0.000000 3.761606 11.332814\nCo H C N Cl O\n2 36 8 16 8 8\ndirect\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.788610 0.217029 0.494476 H\n0.711390 0.217029 0.994476 H\n0.211390 0.782971 0.505524 H\n0.288610 0.782971 0.005524 H\n0.895384 0.363135 0.503203 H\n0.604616 0.363135 0.003203 H\n0.104616 0.636865 0.496797 H\n0.395384 0.636865 0.996797 H\n0.709593 0.205165 0.788498 H\n0.790407 0.205165 0.288498 H\n0.290407 0.794835 0.211502 H\n0.209593 0.794835 0.711502 H\n0.823900 0.182831 0.692529 H\n0.676100 0.182831 0.192529 H\n0.176100 0.817169 0.307471 H\n0.323900 0.817169 0.807471 H\n0.006718 0.168282 0.742113 H\n0.493282 0.168282 0.242113 H\n0.993282 0.831718 0.257887 H\n0.506718 0.831718 0.757887 H\n0.267940 0.263535 0.861628 H\n0.232060 0.263535 0.361628 H\n0.732060 0.736465 0.138372 H\n0.767940 0.736465 0.638372 H\n0.193175 0.224989 0.739242 H\n0.306825 0.224989 0.239242 H\n0.806825 0.775011 0.260758 H\n0.693175 0.775011 0.760758 H\n0.157333 0.315317 0.014443 H\n0.342667 0.315317 0.514443 H\n0.842667 0.684683 0.985557 H\n0.657333 0.684683 0.485557 H\n0.000332 0.294530 0.009072 H\n0.499668 0.294530 0.509072 H\n0.999668 0.705470 0.990928 H\n0.500332 0.705470 0.490928 H\n0.875229 0.227432 0.848825 C\n0.624771 0.227432 0.348825 C\n0.124771 0.772568 0.151175 C\n0.375229 0.772568 0.651175 C\n0.089211 0.251950 0.872085 C\n0.410789 0.251950 0.372085 C\n0.910789 0.748050 0.127915 C\n0.589211 0.748050 0.627915 C\n0.797355 0.201384 0.771109 N\n0.702645 0.201384 0.271109 N\n0.202645 0.798616 0.228891 N\n0.297355 0.798616 0.728891 N\n0.991626 0.215353 0.815340 N\n0.508374 0.215353 0.315340 N\n0.008374 0.784647 0.184660 N\n0.491626 0.784647 0.684660 N\n0.191866 0.238895 0.822298 N\n0.308134 0.238895 0.322298 N\n0.808134 0.761105 0.177702 N\n0.691866 0.761105 0.677702 N\n0.081468 0.296391 0.973097 N\n0.418532 0.296391 0.473097 N\n0.918532 0.703609 0.026903 N\n0.581468 0.703609 0.526903 N\n0.999333 0.796439 0.704676 Cl\n0.500667 0.796439 0.204676 Cl\n0.000667 0.203561 0.295324 Cl\n0.499333 0.203561 0.795324 Cl\n0.138049 0.270658 0.544930 Cl\n0.361951 0.270658 0.044930 Cl\n0.861951 0.729342 0.455070 Cl\n0.638049 0.729342 0.955070 Cl\n0.868037 0.211155 0.531922 O\n0.631963 0.211155 0.031922 O\n0.131963 0.788845 0.468078 O\n0.368037 0.788845 0.968078 O\n0.849657 0.258143 0.944955 O\n0.650343 0.258143 0.444955 O\n0.150343 0.741857 0.055045 O\n0.349657 0.741857 0.555045 O\n",
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"formula_full": "Co2 H36 C8 N16 Cl8 O8",
"formula_reduced": "CoH18C4N8(ClO)4",
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},
{
"id": "mp-561214",
"created_at": "2022-09-04T14:45:29.464765Z",
"structure_string": "Sb4 H12 C4 S4 Cl24 O4\n1.0\n20.165609 0.000000 0.000000\n0.000000 6.774275 0.000000\n0.000000 5.246128 9.220758\nSb H C S Cl O\n4 12 4 4 24 4\ndirect\n0.625486 0.050393 0.285273 Sb\n0.125486 0.949607 0.214727 Sb\n0.374514 0.949607 0.714727 Sb\n0.874514 0.050393 0.785273 Sb\n0.137253 0.038943 0.707155 H\n0.943307 0.961060 0.369066 H\n0.637253 0.961057 0.792845 H\n0.117591 0.255487 0.523788 H\n0.443307 0.038940 0.130934 H\n0.862747 0.961057 0.292845 H\n0.362747 0.038943 0.207155 H\n0.882409 0.744513 0.476212 H\n0.382409 0.255487 0.023788 H\n0.556693 0.961060 0.869066 H\n0.617591 0.744513 0.976212 H\n0.056693 0.038940 0.630934 H\n0.890417 0.921962 0.391576 C\n0.390417 0.078038 0.108424 C\n0.609583 0.921962 0.891576 C\n0.109583 0.078038 0.608424 C\n0.644445 0.089871 0.962392 S\n0.855555 0.089871 0.462392 S\n0.355555 0.910129 0.037608 S\n0.144445 0.910129 0.537608 S\n0.656484 0.045668 0.501697 Cl\n0.343516 0.954332 0.498303 Cl\n0.206624 0.668130 0.359541 Cl\n0.540770 0.773723 0.391124 Cl\n0.793376 0.331870 0.640459 Cl\n0.623589 0.405902 0.791211 Cl\n0.293376 0.668130 0.859541 Cl\n0.545224 0.344358 0.214298 Cl\n0.706624 0.331870 0.140459 Cl\n0.703401 0.762581 0.317357 Cl\n0.459230 0.226277 0.608876 Cl\n0.376411 0.594098 0.208789 Cl\n0.296599 0.237419 0.682643 Cl\n0.045224 0.655642 0.285702 Cl\n0.203401 0.237419 0.182643 Cl\n0.843516 0.045668 0.001697 Cl\n0.454776 0.655642 0.785702 Cl\n0.796599 0.762581 0.817357 Cl\n0.959230 0.773723 0.891124 Cl\n0.876411 0.405902 0.291211 Cl\n0.156484 0.954332 0.998303 Cl\n0.040770 0.226277 0.108876 Cl\n0.123589 0.594098 0.708789 Cl\n0.954776 0.344358 0.714298 Cl\n0.094700 0.952144 0.417223 O\n0.905300 0.047856 0.582777 O\n0.594700 0.047856 0.082777 O\n0.405300 0.952144 0.917223 O\n",
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"volume_molar": 14.587751203944915,
"formula_full": "Sb4 H12 C4 S4 Cl24 O4",
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"spacegroup": 14
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{
"id": "mp-776243",
"created_at": "2022-09-04T14:45:29.468434Z",
"structure_string": "Li4 Mn8 P12 O48\n1.0\n8.535620 0.000000 0.000000\n0.000000 8.449199 0.000000\n0.000000 8.357980 11.744930\nLi Mn P O\n4 8 12 48\ndirect\n0.220985 0.030526 0.178287 Li\n0.720985 0.969474 0.321713 Li\n0.279015 0.030526 0.678287 Li\n0.779015 0.969474 0.821713 Li\n0.537487 0.138871 0.113964 Mn\n0.961283 0.371066 0.878550 Mn\n0.461283 0.628934 0.621450 Mn\n0.037487 0.861129 0.386036 Mn\n0.962513 0.138871 0.613964 Mn\n0.538717 0.371066 0.378550 Mn\n0.038717 0.628934 0.121450 Mn\n0.462513 0.861129 0.886036 Mn\n0.749309 0.531649 0.499497 P\n0.611792 0.253881 0.851948 P\n0.889975 0.956933 0.143430 P\n0.389975 0.043067 0.356570 P\n0.111792 0.746119 0.648052 P\n0.249309 0.468351 0.000503 P\n0.750691 0.531649 0.999497 P\n0.888208 0.253881 0.351948 P\n0.610025 0.956933 0.643430 P\n0.110025 0.043067 0.856570 P\n0.388208 0.746119 0.148052 P\n0.250691 0.468351 0.500503 P\n0.137687 0.634925 0.418816 O\n0.319241 0.483411 0.593783 O\n0.111635 0.232133 0.848781 O\n0.405029 0.915785 0.161224 O\n0.627754 0.537677 0.574917 O\n0.785351 0.312873 0.819092 O\n0.836552 0.731237 0.431729 O\n0.580004 0.176729 0.975937 O\n0.936656 0.134363 0.026518 O\n0.725870 0.979325 0.181395 O\n0.011897 0.944641 0.228018 O\n0.490405 0.412635 0.777427 O\n0.990405 0.587365 0.722573 O\n0.511897 0.055359 0.271982 O\n0.225870 0.020675 0.318605 O\n0.436656 0.865637 0.473482 O\n0.080004 0.823271 0.524063 O\n0.336552 0.268763 0.068271 O\n0.285351 0.687127 0.680908 O\n0.127754 0.462323 0.925083 O\n0.905029 0.084215 0.338776 O\n0.611635 0.767867 0.651219 O\n0.819241 0.516589 0.906217 O\n0.637687 0.365075 0.081184 O\n0.362313 0.634925 0.918816 O\n0.180759 0.483411 0.093783 O\n0.388365 0.232133 0.348781 O\n0.094971 0.915785 0.661224 O\n0.872246 0.537677 0.074917 O\n0.714649 0.312873 0.319092 O\n0.663448 0.731237 0.931729 O\n0.919996 0.176729 0.475937 O\n0.563344 0.134363 0.526518 O\n0.774130 0.979325 0.681395 O\n0.488103 0.944641 0.728018 O\n0.009595 0.412635 0.277427 O\n0.509595 0.587365 0.222573 O\n0.988103 0.055359 0.771982 O\n0.274130 0.020675 0.818605 O\n0.063344 0.865637 0.973482 O\n0.419996 0.823271 0.024063 O\n0.163448 0.268763 0.568271 O\n0.214649 0.687127 0.180908 O\n0.372246 0.462323 0.425083 O\n0.594971 0.084215 0.838776 O\n0.888365 0.767867 0.151219 O\n0.680759 0.516589 0.406217 O\n0.862313 0.365075 0.581184 O\n",
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{
"id": "mp-558696",
"created_at": "2022-09-04T14:45:41.507987Z",
"structure_string": "Cu4 Te4 O12\n1.0\n9.356216 0.000000 0.000000\n0.000000 5.290517 0.000000\n0.000000 4.666761 5.959250\nCu Te O\n4 4 12\ndirect\n0.484282 0.621588 0.639951 Cu\n0.015718 0.621588 0.139951 Cu\n0.515718 0.378412 0.360049 Cu\n0.984282 0.378412 0.860049 Cu\n0.789706 0.836949 0.410342 Te\n0.210294 0.163051 0.589658 Te\n0.289706 0.163051 0.089658 Te\n0.710294 0.836949 0.910342 Te\n0.862166 0.419425 0.641460 O\n0.397413 0.321670 0.596585 O\n0.649172 0.842992 0.649647 O\n0.897413 0.678330 0.903415 O\n0.149172 0.157008 0.850353 O\n0.850828 0.842992 0.149647 O\n0.362166 0.580575 0.858540 O\n0.137834 0.580575 0.358540 O\n0.102587 0.321670 0.096585 O\n0.602587 0.678330 0.403415 O\n0.637834 0.419425 0.141460 O\n0.350828 0.157008 0.350353 O\n",
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{
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"structure_string": "Mg30 Cd1 C1 O32\n1.0\n8.553600 0.000000 0.000000\n0.000000 8.553600 0.000000\n0.000000 0.000000 8.543786\nMg Cd C O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250772 0.000000 0.254133 Mg\n0.250772 0.000000 0.745867 Mg\n0.749228 0.000000 0.254133 Mg\n0.749228 0.000000 0.745867 Mg\n0.249750 0.500000 0.250454 Mg\n0.249750 0.500000 0.749546 Mg\n0.750250 0.500000 0.250454 Mg\n0.750250 0.500000 0.749546 Mg\n0.000000 0.250772 0.254133 Mg\n0.000000 0.250772 0.745867 Mg\n0.500000 0.249750 0.250454 Mg\n0.500000 0.249750 0.749546 Mg\n0.000000 0.749228 0.254133 Mg\n0.000000 0.749228 0.745867 Mg\n0.500000 0.750250 0.250454 Mg\n0.500000 0.750250 0.749546 Mg\n0.252156 0.252156 0.000000 Mg\n0.248117 0.248117 0.500000 Mg\n0.747844 0.252156 0.000000 Mg\n0.751883 0.248117 0.500000 Mg\n0.252156 0.747844 0.000000 Mg\n0.248117 0.751883 0.500000 Mg\n0.747844 0.747844 0.000000 Mg\n0.751883 0.751883 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 C\n0.000000 0.263086 0.000000 O\n0.000000 0.253590 0.500000 O\n0.500000 0.251831 0.000000 O\n0.500000 0.249829 0.500000 O\n0.000000 0.736914 0.000000 O\n0.000000 0.746410 0.500000 O\n0.500000 0.748169 0.000000 O\n0.500000 0.750171 0.500000 O\n0.249090 0.249090 0.249857 O\n0.249090 0.249090 0.750143 O\n0.750910 0.249090 0.249857 O\n0.750910 0.249090 0.750143 O\n0.249090 0.750910 0.249857 O\n0.249090 0.750910 0.750143 O\n0.750910 0.750910 0.249857 O\n0.750910 0.750910 0.750143 O\n0.000000 0.000000 0.264569 O\n0.000000 0.000000 0.735431 O\n0.500000 0.000000 0.252275 O\n0.500000 0.000000 0.747725 O\n0.000000 0.500000 0.252275 O\n0.000000 0.500000 0.747725 O\n0.500000 0.500000 0.250303 O\n0.500000 0.500000 0.749697 O\n0.263086 0.000000 0.000000 O\n0.253590 0.000000 0.500000 O\n0.736914 0.000000 0.000000 O\n0.746410 0.000000 0.500000 O\n0.251831 0.500000 0.000000 O\n0.249829 0.500000 0.500000 O\n0.748169 0.500000 0.000000 O\n0.750171 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:45:40.187095Z",
"structure_string": "Cs4 B24 Cl24\n1.0\n15.703266 -4.872256 0.000000\n15.703266 4.872256 0.000000\n14.191550 0.000000 8.302490\nCs B Cl\n4 24 24\ndirect\n0.208400 0.208400 0.208400 Cs\n0.373160 0.373160 0.373160 Cs\n0.626840 0.626840 0.626840 Cs\n0.791600 0.791600 0.791600 Cs\n0.348399 0.447826 0.682917 B\n0.651601 0.552174 0.317083 B\n0.125126 0.914784 0.048142 B\n0.560145 0.499031 0.353213 B\n0.914784 0.048142 0.125126 B\n0.499031 0.353213 0.560145 B\n0.646787 0.439855 0.500969 B\n0.023712 0.146644 0.808702 B\n0.146644 0.808702 0.023712 B\n0.500969 0.646787 0.439855 B\n0.682917 0.348399 0.447826 B\n0.048142 0.125126 0.914784 B\n0.353213 0.560145 0.499031 B\n0.976288 0.853356 0.191298 B\n0.874874 0.085216 0.951858 B\n0.552174 0.317083 0.651601 B\n0.808702 0.023712 0.146644 B\n0.085216 0.951858 0.874874 B\n0.951858 0.874874 0.085216 B\n0.853356 0.191298 0.976288 B\n0.317083 0.651601 0.552174 B\n0.439855 0.500969 0.646787 B\n0.447826 0.682917 0.348399 B\n0.191298 0.976288 0.853356 B\n0.873935 0.187400 0.393854 Cl\n0.048687 0.300846 0.605786 Cl\n0.393854 0.873935 0.187400 Cl\n0.606146 0.126065 0.812600 Cl\n0.394214 0.951313 0.699154 Cl\n0.823925 0.097682 0.258043 Cl\n0.605786 0.048687 0.300846 Cl\n0.501523 0.802557 0.375580 Cl\n0.951313 0.699154 0.394214 Cl\n0.498477 0.197443 0.624420 Cl\n0.741957 0.176075 0.902318 Cl\n0.176075 0.902318 0.741957 Cl\n0.187400 0.393854 0.873935 Cl\n0.375580 0.501523 0.802557 Cl\n0.902318 0.741957 0.176075 Cl\n0.624420 0.498477 0.197443 Cl\n0.699154 0.394214 0.951313 Cl\n0.802557 0.375580 0.501523 Cl\n0.258043 0.823925 0.097682 Cl\n0.097682 0.258043 0.823925 Cl\n0.126065 0.812600 0.606146 Cl\n0.197443 0.624420 0.498477 Cl\n0.300846 0.605787 0.048687 Cl\n0.812600 0.606146 0.126065 Cl\n",
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"formula_full": "Cs4 B24 Cl24",
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"updated_at": "2021-11-28T01:37:05.278000Z",
"spacegroup": 148
},
{
"id": "mp-1198070",
"created_at": "2022-09-04T14:45:39.099634Z",
"structure_string": "Ni12 Te8 Mo4 O40\n1.0\n5.021440 0.000000 0.000000\n0.000000 10.335440 0.000000\n0.000000 0.000000 17.946440\nNi Te Mo O\n12 8 4 40\ndirect\n0.249273 0.389330 0.217028 Ni\n0.250727 0.610670 0.717028 Ni\n0.749273 0.110670 0.782972 Ni\n0.750727 0.889330 0.282972 Ni\n0.751800 0.536381 0.271340 Ni\n0.748200 0.463619 0.771340 Ni\n0.251800 0.963619 0.728660 Ni\n0.248200 0.036381 0.228660 Ni\n0.202959 0.217017 0.066404 Ni\n0.297041 0.782983 0.566404 Ni\n0.702959 0.282983 0.933596 Ni\n0.797041 0.717017 0.433596 Ni\n0.191847 0.719280 0.185371 Te\n0.308153 0.280720 0.685371 Te\n0.691847 0.780720 0.814629 Te\n0.808153 0.219280 0.314629 Te\n0.694500 0.463909 0.083991 Te\n0.805500 0.536091 0.583991 Te\n0.194500 0.036091 0.916009 Te\n0.305500 0.963909 0.416009 Te\n0.293560 0.484809 0.398560 Mo\n0.206440 0.515191 0.898560 Mo\n0.793560 0.015191 0.601440 Mo\n0.706440 0.984809 0.101440 Mo\n0.426871 0.854988 0.215435 O\n0.073129 0.145012 0.715435 O\n0.926871 0.645012 0.784565 O\n0.573129 0.354988 0.284565 O\n0.952893 0.711347 0.269084 O\n0.547107 0.288653 0.769084 O\n0.452893 0.788653 0.730916 O\n0.047107 0.211347 0.230916 O\n0.422057 0.577736 0.209201 O\n0.077943 0.422264 0.709201 O\n0.922057 0.922264 0.790799 O\n0.577943 0.077736 0.290799 O\n0.427253 0.347982 0.118669 O\n0.072747 0.652018 0.618669 O\n0.927253 0.152018 0.881331 O\n0.572747 0.847982 0.381331 O\n0.919694 0.477483 0.169983 O\n0.580306 0.522517 0.669983 O\n0.419695 0.022517 0.830017 O\n0.080306 0.977483 0.330017 O\n0.902019 0.339463 0.030235 O\n0.597981 0.660537 0.530235 O\n0.402019 0.160537 0.969765 O\n0.097981 0.839463 0.469765 O\n0.077674 0.440005 0.318937 O\n0.422326 0.559995 0.818937 O\n0.577674 0.059995 0.681063 O\n0.922326 0.940005 0.181063 O\n0.069827 0.576861 0.456317 O\n0.430173 0.423139 0.956317 O\n0.569827 0.923139 0.543683 O\n0.930173 0.076861 0.043683 O\n0.584018 0.583246 0.373291 O\n0.915982 0.416754 0.873291 O\n0.084018 0.916754 0.626709 O\n0.415982 0.083246 0.126709 O\n0.386128 0.349671 0.449934 O\n0.113872 0.650329 0.949934 O\n0.886128 0.150329 0.550066 O\n0.613872 0.849671 0.050066 O\n",
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"updated_at": "2021-11-28T01:37:15.151000Z",
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}
]
}