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{
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{
"id": "mp-540871",
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"structure_string": "Na8 Mn8 Si8 O28\n1.0\n13.477815 0.000000 0.000000\n0.000000 5.821600 0.000000\n0.000000 5.834777 8.883571\nNa Mn Si O\n8 8 8 28\ndirect\n0.753360 0.589005 0.694650 Na\n0.253360 0.410995 0.805350 Na\n0.246640 0.410995 0.305350 Na\n0.746640 0.589005 0.194650 Na\n0.840466 0.948006 0.383518 Na\n0.340466 0.051994 0.116482 Na\n0.159534 0.051994 0.616482 Na\n0.659534 0.948006 0.883518 Na\n0.992871 0.571373 0.290686 Mn\n0.492871 0.428627 0.209314 Mn\n0.007129 0.428627 0.709314 Mn\n0.507129 0.571373 0.790686 Mn\n0.919180 0.780490 0.883191 Mn\n0.419180 0.219510 0.616809 Mn\n0.080820 0.219510 0.116809 Mn\n0.580820 0.780490 0.383191 Mn\n0.119243 0.848177 0.971548 Si\n0.619243 0.151823 0.528452 Si\n0.880757 0.151823 0.028452 Si\n0.380757 0.848177 0.471548 Si\n0.833454 0.266364 0.549651 Si\n0.333454 0.733636 0.950349 Si\n0.166546 0.733636 0.450349 Si\n0.666546 0.266364 0.049651 Si\n0.790078 0.335347 0.041937 O\n0.290078 0.664653 0.458063 O\n0.209922 0.664653 0.958063 O\n0.709922 0.335347 0.541937 O\n0.959145 0.394397 0.908361 O\n0.459145 0.605603 0.591639 O\n0.040855 0.605603 0.091639 O\n0.540855 0.394397 0.408361 O\n0.866579 0.340303 0.382285 O\n0.366579 0.659697 0.117715 O\n0.133421 0.659697 0.617715 O\n0.633421 0.340303 0.882285 O\n0.835577 0.956626 0.977159 O\n0.335577 0.043374 0.522841 O\n0.164423 0.043374 0.022841 O\n0.664423 0.956626 0.477159 O\n0.847632 0.942589 0.680152 O\n0.347632 0.057411 0.819848 O\n0.152368 0.057411 0.319848 O\n0.652368 0.942589 0.180152 O\n0.940465 0.981321 0.190612 O\n0.440465 0.018679 0.309388 O\n0.059535 0.018679 0.809388 O\n0.559535 0.981321 0.690612 O\n0.883428 0.485104 0.582661 O\n0.383428 0.514896 0.917339 O\n0.116572 0.514896 0.417339 O\n0.616572 0.485104 0.082661 O\n",
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{
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"structure_string": "Co24 Te20 O64\n1.0\n10.422523 0.000000 0.000000\n0.000000 11.242606 0.000000\n0.000000 0.000000 13.030743\nCo Te O\n24 20 64\ndirect\n0.933287 0.247242 0.006267 Co\n0.433287 0.752758 0.993733 Co\n0.409724 0.249527 0.770123 Co\n0.572817 0.985249 0.892963 Co\n0.090276 0.249527 0.770123 Co\n0.590276 0.250473 0.270123 Co\n0.072817 0.014751 0.107037 Co\n0.409724 0.749527 0.729877 Co\n0.433287 0.252758 0.506267 Co\n0.090276 0.749527 0.729877 Co\n0.933287 0.747242 0.493733 Co\n0.072817 0.514751 0.392963 Co\n0.566713 0.747242 0.493733 Co\n0.066713 0.252758 0.506267 Co\n0.927183 0.485249 0.607037 Co\n0.427183 0.014751 0.107037 Co\n0.066713 0.752758 0.993733 Co\n0.909724 0.750473 0.229877 Co\n0.572817 0.485249 0.607037 Co\n0.566713 0.247242 0.006267 Co\n0.590276 0.750473 0.229877 Co\n0.909724 0.250473 0.270123 Co\n0.427183 0.514751 0.392963 Co\n0.927183 0.985249 0.892963 Co\n0.750000 0.221740 0.506494 Te\n0.750000 0.534439 0.361549 Te\n0.037890 0.990032 0.365274 Te\n0.250000 0.778260 0.493506 Te\n0.537890 0.009968 0.634726 Te\n0.462110 0.990032 0.365274 Te\n0.037890 0.490032 0.134726 Te\n0.537890 0.509968 0.865274 Te\n0.250000 0.800339 0.183928 Te\n0.750000 0.034439 0.138451 Te\n0.250000 0.278260 0.006494 Te\n0.250000 0.300339 0.316072 Te\n0.750000 0.699661 0.683928 Te\n0.962110 0.509968 0.865274 Te\n0.250000 0.465561 0.638451 Te\n0.250000 0.965561 0.861549 Te\n0.962110 0.009968 0.634726 Te\n0.750000 0.721740 0.993506 Te\n0.750000 0.199661 0.816072 Te\n0.462110 0.490032 0.134726 Te\n0.056065 0.324450 0.349915 O\n0.888549 0.061055 0.041857 O\n0.610578 0.814760 0.943392 O\n0.443935 0.324450 0.349915 O\n0.481765 0.925476 0.755893 O\n0.111451 0.438945 0.541857 O\n0.389422 0.685240 0.443392 O\n0.045973 0.898349 0.545905 O\n0.750000 0.779965 0.552891 O\n0.943935 0.675550 0.650085 O\n0.888549 0.561055 0.458143 O\n0.419372 0.638224 0.858558 O\n0.443935 0.824450 0.150085 O\n0.518235 0.074524 0.244107 O\n0.889422 0.814760 0.943392 O\n0.388549 0.438945 0.541857 O\n0.250000 0.971300 0.166259 O\n0.750000 0.280652 0.368092 O\n0.556065 0.175550 0.849915 O\n0.750000 0.692015 0.313781 O\n0.454027 0.398349 0.954095 O\n0.981765 0.574524 0.255893 O\n0.389422 0.185240 0.056608 O\n0.611451 0.061055 0.041857 O\n0.580628 0.861776 0.358558 O\n0.045973 0.398349 0.954095 O\n0.250000 0.307985 0.686219 O\n0.250000 0.807985 0.813781 O\n0.250000 0.220035 0.447109 O\n0.250000 0.219348 0.868092 O\n0.111451 0.938945 0.958143 O\n0.388549 0.938945 0.958143 O\n0.750000 0.780652 0.131908 O\n0.954027 0.101651 0.454095 O\n0.545973 0.601651 0.045905 O\n0.919372 0.361776 0.141442 O\n0.018235 0.925476 0.755893 O\n0.419372 0.138224 0.641442 O\n0.611451 0.561055 0.458143 O\n0.750000 0.192015 0.186219 O\n0.056065 0.824450 0.150085 O\n0.556065 0.675550 0.650085 O\n0.080628 0.138224 0.641442 O\n0.981765 0.074524 0.244107 O\n0.454027 0.898349 0.545905 O\n0.610578 0.314760 0.556608 O\n0.750000 0.028700 0.833741 O\n0.250000 0.471300 0.333741 O\n0.250000 0.720035 0.052891 O\n0.889422 0.314760 0.556608 O\n0.750000 0.528700 0.666259 O\n0.750000 0.279965 0.947109 O\n0.110578 0.185240 0.056608 O\n0.080628 0.638224 0.858558 O\n0.018235 0.425476 0.744107 O\n0.545973 0.101651 0.454095 O\n0.110578 0.685240 0.443392 O\n0.481765 0.425476 0.744107 O\n0.250000 0.719348 0.631908 O\n0.919372 0.861776 0.358558 O\n0.943935 0.175550 0.849915 O\n0.518235 0.574524 0.255893 O\n0.580628 0.361776 0.141442 O\n0.954027 0.601651 0.045905 O\n",
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"formula_full": "Co24 Te20 O64",
"formula_reduced": "Co6Te5O16",
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"energy": -704.70343249,
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{
"id": "mp-1217583",
"created_at": "2022-09-04T14:44:49.892759Z",
"structure_string": "Ti8 V4 Ni36\n1.0\n2.523054 -4.370058 0.000000\n2.523054 4.370058 0.000000\n0.000000 0.000000 24.869488\nTi V Ni\n8 4 36\ndirect\n0.333333 0.666667 0.666733 Ti\n0.333333 0.666667 0.333267 Ti\n0.000000 0.000000 0.916576 Ti\n0.000000 0.000000 0.583547 Ti\n0.000000 0.000000 0.250060 Ti\n0.000000 0.000000 0.083424 Ti\n0.000000 0.000000 0.749940 Ti\n0.000000 0.000000 0.416453 Ti\n0.666667 0.333333 0.833185 V\n0.666667 0.333333 0.500000 V\n0.666667 0.333333 0.166815 V\n0.333333 0.666667 0.000000 V\n0.170516 0.829484 0.833415 Ni\n0.170445 0.829555 0.500000 Ni\n0.170516 0.829484 0.166585 Ni\n0.170516 0.341033 0.833415 Ni\n0.170445 0.340890 0.500000 Ni\n0.170516 0.341033 0.166585 Ni\n0.658967 0.829484 0.833415 Ni\n0.659110 0.829555 0.500000 Ni\n0.658967 0.829484 0.166585 Ni\n0.829684 0.170316 0.000000 Ni\n0.829465 0.170535 0.666676 Ni\n0.829465 0.170535 0.333324 Ni\n0.829684 0.659368 0.000000 Ni\n0.829465 0.658930 0.666676 Ni\n0.829465 0.658930 0.333324 Ni\n0.340632 0.170316 0.000000 Ni\n0.341070 0.170535 0.666676 Ni\n0.341070 0.170535 0.333324 Ni\n0.999303 0.499651 0.916529 Ni\n0.998063 0.499032 0.582874 Ni\n0.997719 0.498859 0.249464 Ni\n0.500349 0.499651 0.916529 Ni\n0.500968 0.499032 0.582874 Ni\n0.501141 0.498859 0.249464 Ni\n0.500349 0.000697 0.916529 Ni\n0.500968 0.001937 0.582874 Ni\n0.501141 0.002281 0.249464 Ni\n0.999303 0.499651 0.083471 Ni\n0.997719 0.498859 0.750536 Ni\n0.998063 0.499032 0.417126 Ni\n0.500349 0.499651 0.083471 Ni\n0.501141 0.498859 0.750536 Ni\n0.500968 0.499032 0.417126 Ni\n0.501141 0.002281 0.750536 Ni\n0.500968 0.001937 0.417126 Ni\n0.500349 0.000697 0.083471 Ni\n",
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{
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"structure_string": "Li4 Mn1 Co3 O8\n1.0\n1.456019 2.600307 0.000000\n-1.456019 2.600307 0.000000\n0.000000 2.266945 19.478632\nLi Mn Co O\n4 1 3 8\ndirect\n0.624427 0.624427 0.624121 Li\n0.375573 0.375573 0.375879 Li\n0.124617 0.124617 0.127328 Li\n0.875383 0.875383 0.872672 Li\n0.500000 0.500000 0.000000 Mn\n0.250581 0.250581 0.749277 Co\n0.000000 0.000000 0.500000 Co\n0.749419 0.749419 0.250723 Co\n0.934191 0.934191 0.693403 O\n0.687831 0.687831 0.442326 O\n0.434504 0.434504 0.193320 O\n0.160617 0.160617 0.941612 O\n0.312169 0.312169 0.557674 O\n0.065809 0.065809 0.306597 O\n0.839383 0.839383 0.058388 O\n0.565496 0.565496 0.806680 O\n",
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],
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"formula_full": "Li4 Mn1 Co3 O8",
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{
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"structure_string": "Mn2 V3 Ni1 P6 O24\n1.0\n7.434791 -4.311390 0.000000\n7.434791 4.311390 0.000000\n4.934642 0.000000 7.036584\nMn V Ni P O\n2 3 1 6 24\ndirect\n0.996320 0.996320 0.996320 Mn\n0.499314 0.499314 0.499314 Mn\n0.355204 0.355204 0.355204 V\n0.142867 0.142867 0.142867 V\n0.645472 0.645472 0.645472 V\n0.856699 0.856699 0.856699 Ni\n0.459242 0.751845 0.043007 P\n0.751845 0.043007 0.459242 P\n0.043007 0.459242 0.751845 P\n0.958450 0.540763 0.251375 P\n0.251375 0.958450 0.540763 P\n0.540763 0.251375 0.958450 P\n0.694504 0.878457 0.495479 O\n0.878457 0.495479 0.694504 O\n0.495479 0.694504 0.878457 O\n0.260999 0.914898 0.059328 O\n0.613988 0.804226 0.016524 O\n0.431267 0.584773 0.237532 O\n0.914898 0.059328 0.260999 O\n0.584773 0.237532 0.431267 O\n0.996687 0.377551 0.193236 O\n0.237532 0.431267 0.584773 O\n0.947888 0.731867 0.092421 O\n0.193236 0.996687 0.377551 O\n0.804226 0.016524 0.613988 O\n0.059328 0.260999 0.914898 O\n0.765277 0.552704 0.419699 O\n0.016524 0.613988 0.804226 O\n0.419699 0.765277 0.552704 O\n0.092421 0.947888 0.731867 O\n0.552704 0.419699 0.765277 O\n0.377551 0.193236 0.996687 O\n0.731867 0.092421 0.947888 O\n0.492765 0.320284 0.117113 O\n0.117113 0.492765 0.320284 O\n0.320284 0.117113 0.492765 O\n",
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"formula_full": "Mn2 V3 Ni1 P6 O24",
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"spacegroup": 146
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{
"id": "mp-1246821",
"created_at": "2022-09-04T14:44:51.263499Z",
"structure_string": "Sr8 Ni3 N8\n1.0\n9.597522 0.052560 -0.068201\n1.448134 5.122340 0.000000\n1.932864 -0.546440 7.180641\nSr Ni N\n8 3 8\ndirect\n0.060770 0.969615 0.739700 Sr\n0.939230 0.030385 0.260300 Sr\n0.660805 0.669597 0.479899 Sr\n0.339195 0.330403 0.520101 Sr\n0.805537 0.597232 0.960496 Sr\n0.194463 0.402768 0.039504 Sr\n0.597518 0.201241 0.814655 Sr\n0.402482 0.798759 0.185345 Sr\n0.000000 0.500000 0.500000 Ni\n0.373551 0.813225 0.793572 Ni\n0.626449 0.186775 0.206428 Ni\n0.206537 0.896732 0.995573 N\n0.793463 0.103268 0.004427 N\n0.353623 0.823188 0.560394 N\n0.646377 0.176812 0.439606 N\n0.559921 0.720040 0.834922 N\n0.440079 0.279960 0.165078 N\n0.051818 0.474090 0.712264 N\n0.948182 0.525910 0.287736 N\n",
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{
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"structure_string": "Fe1 Ge1 Ru2\n1.0\n0.000000 3.006936 3.006936\n3.006936 0.000000 3.006936\n3.006936 3.006936 0.000000\nFe Ge Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Ge\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
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