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{
"id": "mp-1173925",
"created_at": "2022-09-04T14:43:19.056303Z",
"structure_string": "Li3 Mn1 Co2 O6\n1.0\n4.449590 2.519386 0.000000\n-4.449590 2.519386 0.000000\n0.000000 1.654430 4.869451\nLi Mn Co O\n3 1 2 6\ndirect\n0.335613 0.664387 0.500000 Li\n0.664387 0.335613 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.831209 0.168791 0.000000 Co\n0.168791 0.831209 0.000000 Co\n0.108098 0.421257 0.227943 O\n0.421257 0.108098 0.227943 O\n0.742689 0.742689 0.223324 O\n0.578743 0.891902 0.772057 O\n0.891902 0.578743 0.772057 O\n0.257311 0.257311 0.776676 O\n",
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{
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"created_at": "2022-09-04T14:43:19.057899Z",
"structure_string": "Li2 Fe12 P7\n1.0\n4.435274 -7.682120 0.000000\n4.435274 7.682120 0.000000\n0.000000 0.000000 3.552446\nLi Fe P\n2 12 7\ndirect\n0.666667 0.333333 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.449427 0.506315 0.000000 Fe\n0.376112 0.276938 0.500000 Fe\n0.493685 0.943112 0.000000 Fe\n0.900826 0.623888 0.500000 Fe\n0.723062 0.099174 0.500000 Fe\n0.553639 0.760817 0.500000 Fe\n0.056888 0.550573 0.000000 Fe\n0.950995 0.235030 0.000000 Fe\n0.764970 0.715965 0.000000 Fe\n0.207178 0.446361 0.500000 Fe\n0.284035 0.049005 0.000000 Fe\n0.239183 0.792822 0.500000 Fe\n0.618590 0.545122 0.500000 P\n0.454878 0.073468 0.500000 P\n0.333333 0.666667 0.000000 P\n0.926532 0.381410 0.500000 P\n0.747761 0.953255 0.000000 P\n0.205494 0.252239 0.000000 P\n0.046745 0.794506 0.000000 P\n",
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"spacegroup": 174
},
{
"id": "mp-1333973",
"created_at": "2022-09-04T14:43:19.070145Z",
"structure_string": "Sr12 Y2 Ga6 Cu12 O42\n1.0\n2.686153 12.315482 0.000000\n-2.686153 12.315482 0.000000\n0.000000 3.331814 15.339384\nSr Y Ga Cu O\n12 2 6 12 42\ndirect\n0.862014 0.338929 0.052952 Sr\n0.861610 0.337197 0.382798 Sr\n0.859148 0.334819 0.718961 Sr\n0.138831 0.660598 0.282022 Sr\n0.140813 0.664371 0.617384 Sr\n0.137712 0.661732 0.953231 Sr\n0.334819 0.859148 0.218961 Sr\n0.338929 0.862014 0.552952 Sr\n0.337197 0.861610 0.882798 Sr\n0.664371 0.140813 0.117384 Sr\n0.661732 0.137712 0.453231 Sr\n0.660598 0.138831 0.782022 Sr\n0.499816 0.999683 0.166915 Y\n0.999683 0.499816 0.666915 Y\n0.317583 0.682542 0.068755 Ga\n0.318348 0.680424 0.403326 Ga\n0.318941 0.681432 0.736622 Ga\n0.681432 0.318941 0.236622 Ga\n0.682542 0.317583 0.568755 Ga\n0.680424 0.318348 0.903326 Ga\n0.065641 0.560406 0.146309 Cu\n0.064665 0.558613 0.473426 Cu\n0.064174 0.559020 0.819838 Cu\n0.441017 0.935241 0.014374 Cu\n0.440713 0.935181 0.361175 Cu\n0.439097 0.933971 0.688670 Cu\n0.559020 0.064174 0.319838 Cu\n0.560406 0.065641 0.646309 Cu\n0.558613 0.064665 0.973426 Cu\n0.933971 0.439097 0.188670 Cu\n0.935241 0.441017 0.514374 Cu\n0.935181 0.440713 0.861175 Cu\n0.204251 0.165685 0.267956 O\n0.168994 0.201508 0.609211 O\n0.175480 0.172585 0.941986 O\n0.351144 0.645606 0.281540 O\n0.355683 0.646728 0.613996 O\n0.350825 0.649055 0.946756 O\n0.201508 0.168994 0.109211 O\n0.172585 0.175480 0.441986 O\n0.165685 0.204251 0.767956 O\n0.717968 0.139534 0.279511 O\n0.707102 0.147062 0.613943 O\n0.715017 0.140973 0.950764 O\n0.339495 0.296010 0.223097 O\n0.296731 0.339000 0.566086 O\n0.330795 0.330588 0.890575 O\n0.339000 0.296731 0.066086 O\n0.330588 0.330795 0.390575 O\n0.296010 0.339495 0.723097 O\n0.646728 0.355683 0.113996 O\n0.649055 0.350825 0.446756 O\n0.645606 0.351144 0.781540 O\n0.797874 0.831122 0.066113 O\n0.826663 0.824645 0.391534 O\n0.833414 0.795947 0.724698 O\n0.795947 0.833414 0.224698 O\n0.831122 0.797874 0.566113 O\n0.824645 0.826663 0.891534 O\n0.147062 0.707102 0.113943 O\n0.140973 0.715017 0.450764 O\n0.139534 0.717968 0.779511 O\n0.281844 0.860244 0.068252 O\n0.285028 0.857336 0.398991 O\n0.292942 0.852873 0.733123 O\n0.852873 0.292942 0.233123 O\n0.860244 0.281844 0.568252 O\n0.857336 0.285028 0.898991 O\n0.660313 0.703488 0.268387 O\n0.703239 0.660398 0.611482 O\n0.669194 0.668841 0.944085 O\n0.660398 0.703239 0.111482 O\n0.668841 0.669194 0.444085 O\n0.703488 0.660313 0.768387 O\n",
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"chemical_system": "Cu-Ga-O-Sr-Y",
"density": 5.0428734876336945,
"density_atomic": 0.07291412103028497,
"volume": 1014.8925743651769,
"volume_molar": 8.25922424203495,
"formula_full": "Sr12 Y2 Ga6 Cu12 O42",
"formula_reduced": "Sr6YGa3(Cu2O7)3",
"formula_anonymous": "AB3C6D6E21",
"energy": -460.87142489,
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"spacegroup": 9
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{
"id": "mp-631577",
"created_at": "2022-09-04T14:43:19.559433Z",
"structure_string": "Bi1 As2 Os1\n1.0\n0.000000 3.392788 3.392788\n3.392788 0.000000 3.392788\n3.392788 3.392788 0.000000\nBi As Os\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 As\n0.250000 0.250000 0.250000 As\n0.750000 0.750000 0.750000 Os\n",
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"density": 11.672494422135184,
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"formula_full": "Bi1 As2 Os1",
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"spacegroup": 216
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{
"id": "mp-1209194",
"created_at": "2022-09-04T14:43:19.609079Z",
"structure_string": "Sm10 In8 Pt4\n1.0\n0.000000 0.000000 3.757542\n8.255432 0.000000 0.000000\n0.000000 18.562183 0.000000\nSm In Pt\n10 8 4\ndirect\n0.000000 0.115809 0.414961 Sm\n0.000000 0.884191 0.585039 Sm\n0.000000 0.384191 0.914961 Sm\n0.000000 0.615809 0.085039 Sm\n0.000000 0.242724 0.218795 Sm\n0.000000 0.757276 0.781205 Sm\n0.000000 0.257276 0.718795 Sm\n0.000000 0.742724 0.281205 Sm\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.500000 0.426518 0.350773 In\n0.500000 0.573482 0.649227 In\n0.500000 0.073482 0.850773 In\n0.500000 0.926518 0.149227 In\n0.500000 0.291415 0.067730 In\n0.500000 0.708585 0.932270 In\n0.500000 0.208585 0.567730 In\n0.500000 0.791415 0.432270 In\n0.500000 0.024347 0.302407 Pt\n0.500000 0.975653 0.697593 Pt\n0.500000 0.475653 0.802407 Pt\n0.500000 0.524347 0.197593 Pt\n",
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{
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"structure_string": "Pt4 C16 I16 N4\n1.0\n-6.039126 6.884681 8.154581\n6.039126 -6.884681 8.154581\n6.039126 6.884681 -8.154581\nPt C I N\n4 16 16 4\ndirect\n0.207929 0.328392 0.620463 Pt\n0.707929 0.587466 0.379537 Pt\n0.278865 0.711099 0.932234 Pt\n0.778865 0.346631 0.067766 Pt\n0.513214 0.048399 0.253049 C\n0.795350 0.260165 0.746951 C\n0.295350 0.048399 0.035185 C\n0.013214 0.260165 0.964815 C\n0.756499 0.241966 0.627020 C\n0.614946 0.129479 0.372980 C\n0.114946 0.241966 0.985467 C\n0.256499 0.129479 0.014533 C\n0.361392 0.826977 0.581141 C\n0.245837 0.780252 0.418859 C\n0.745837 0.826977 0.965585 C\n0.861392 0.780252 0.034415 C\n0.272066 0.709270 0.538976 C\n0.170294 0.733090 0.461024 C\n0.670294 0.709270 0.937204 C\n0.772066 0.733090 0.062796 C\n0.140210 0.465481 0.825272 I\n0.640210 0.314938 0.174728 I\n0.354780 0.593594 0.738813 I\n0.854780 0.615967 0.261187 I\n0.058016 0.092152 0.534135 I\n0.558016 0.523881 0.465865 I\n0.271591 0.189848 0.418257 I\n0.771591 0.853333 0.581743 I\n0.410356 0.323167 0.802362 I\n0.520805 0.607994 0.197638 I\n0.020805 0.323167 0.412810 I\n0.910356 0.607994 0.587190 I\n0.193701 0.809015 0.115315 I\n0.693701 0.078386 0.884685 I\n0.415485 0.954293 0.038808 I\n0.915485 0.376677 0.961192 I\n0.712324 0.212324 0.500000 N\n0.212324 0.212324 0.000000 N\n0.368540 0.868540 0.500000 N\n0.868540 0.868540 0.000000 N\n",
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{
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"structure_string": "Ca4 Sc2 Nb2 O12\n1.0\n5.727419 0.000000 0.000000\n0.000000 5.535551 0.000000\n0.000000 5.539543 7.944570\nCa Sc Nb O\n4 2 2 12\ndirect\n0.447221 0.235708 0.750796 Ca\n0.552779 0.764292 0.249204 Ca\n0.947221 0.764292 0.749204 Ca\n0.052779 0.235708 0.250796 Ca\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.033365 0.355584 0.743526 O\n0.966635 0.644416 0.256474 O\n0.533365 0.644416 0.756474 O\n0.466635 0.355584 0.243526 O\n0.696543 0.844074 0.948918 O\n0.303457 0.155926 0.051082 O\n0.196543 0.155926 0.551082 O\n0.803457 0.844074 0.448918 O\n0.209133 0.748620 0.945741 O\n0.790867 0.251380 0.054259 O\n0.709133 0.251380 0.554259 O\n0.290867 0.748620 0.445741 O\n",
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"formula_full": "Ca4 Sc2 Nb2 O12",
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{
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"structure_string": "Cs2 K1 As1 I6\n1.0\n0.000000 6.283376 6.283376\n6.283376 0.000000 6.283376\n6.283376 6.283376 0.000000\nCs K As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.770692 0.229308 0.229308 I\n0.229308 0.229308 0.770692 I\n0.229308 0.770692 0.770692 I\n0.229308 0.770692 0.229308 I\n0.770692 0.229308 0.770692 I\n0.770692 0.770692 0.229308 I\n",
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{
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