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{
"id": "mp-569484",
"created_at": "2022-09-04T14:44:09.179754Z",
"structure_string": "Cs6 Ti4 Cl18\n1.0\n3.762549 -6.516927 0.000000\n3.762549 6.516927 0.000000\n0.000000 0.000000 18.121929\nCs Ti Cl\n6 4 18\ndirect\n0.666667 0.333333 0.924116 Cs\n0.333333 0.666667 0.424116 Cs\n0.000000 0.000000 0.250000 Cs\n0.333333 0.666667 0.075884 Cs\n0.000000 0.000000 0.750000 Cs\n0.666667 0.333333 0.575884 Cs\n0.333333 0.666667 0.665671 Ti\n0.666667 0.333333 0.165671 Ti\n0.333333 0.666667 0.834329 Ti\n0.666667 0.333333 0.334329 Ti\n0.486998 0.513002 0.750000 Cl\n0.513002 0.486998 0.250000 Cl\n0.180917 0.361834 0.905148 Cl\n0.361834 0.180917 0.405148 Cl\n0.638166 0.819083 0.905148 Cl\n0.973997 0.486998 0.250000 Cl\n0.486998 0.973997 0.750000 Cl\n0.026003 0.513002 0.750000 Cl\n0.819083 0.180917 0.405148 Cl\n0.819083 0.638166 0.405148 Cl\n0.180917 0.361834 0.594852 Cl\n0.180917 0.819083 0.594852 Cl\n0.361834 0.180917 0.094852 Cl\n0.638166 0.819083 0.594852 Cl\n0.513002 0.026003 0.250000 Cl\n0.180917 0.819083 0.905148 Cl\n0.819083 0.638166 0.094852 Cl\n0.819083 0.180917 0.094852 Cl\n",
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{
"id": "mp-1046078",
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"structure_string": "Zn2 Cr10 O14\n1.0\n1.497874 -5.122852 0.000000\n1.497874 5.122852 0.000000\n0.000000 0.000000 18.400003\nZn Cr O\n2 10 14\ndirect\n0.203502 0.796498 0.750000 Zn\n0.796498 0.203502 0.250000 Zn\n0.725663 0.274337 0.577484 Cr\n0.541144 0.458856 0.154914 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.458856 0.541144 0.845086 Cr\n0.274337 0.725663 0.422516 Cr\n0.274337 0.725663 0.077484 Cr\n0.725663 0.274337 0.922516 Cr\n0.458856 0.541144 0.654914 Cr\n0.541144 0.458856 0.345086 Cr\n0.369562 0.630438 0.975717 O\n0.630438 0.369562 0.024283 O\n0.630438 0.369562 0.475717 O\n0.369562 0.630438 0.524283 O\n0.823153 0.176847 0.827129 O\n0.176847 0.823153 0.172871 O\n0.176847 0.823153 0.327129 O\n0.823153 0.176847 0.672871 O\n0.069559 0.930441 0.895717 O\n0.930441 0.069559 0.104283 O\n0.930441 0.069559 0.395717 O\n0.069559 0.930441 0.604283 O\n0.566709 0.433291 0.750000 O\n0.433291 0.566709 0.250000 O\n",
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{
"id": "mp-772906",
"created_at": "2022-09-04T14:44:09.187787Z",
"structure_string": "Li12 Fe12 P12 O48\n1.0\n7.900146 0.000000 0.000000\n0.000000 8.746400 0.000000\n0.000000 8.451908 15.322036\nLi Fe P O\n12 12 12 48\ndirect\n0.991447 0.273582 0.935754 Li\n0.010631 0.643454 0.585344 Li\n0.871312 0.003881 0.245496 Li\n0.371312 0.996119 0.254504 Li\n0.510631 0.356546 0.914656 Li\n0.491447 0.726418 0.564246 Li\n0.508553 0.273582 0.435754 Li\n0.489369 0.643454 0.085344 Li\n0.628688 0.003881 0.745496 Li\n0.128688 0.996119 0.754504 Li\n0.989369 0.356546 0.414656 Li\n0.008553 0.726418 0.064246 Li\n0.668750 0.648846 0.403163 Fe\n0.823755 0.310053 0.765730 Fe\n0.668350 0.020789 0.080675 Fe\n0.168350 0.979211 0.419325 Fe\n0.323755 0.689947 0.734270 Fe\n0.168750 0.351154 0.096837 Fe\n0.831250 0.648846 0.903163 Fe\n0.676245 0.310053 0.265730 Fe\n0.831650 0.020789 0.580675 Fe\n0.331650 0.979211 0.919325 Fe\n0.176245 0.689947 0.234270 Fe\n0.331250 0.351154 0.596837 Fe\n0.260492 0.638640 0.409505 P\n0.224707 0.308513 0.775210 P\n0.265949 0.040703 0.072370 P\n0.765949 0.959297 0.427630 P\n0.724707 0.691487 0.724790 P\n0.760492 0.361360 0.090495 P\n0.239508 0.638640 0.909505 P\n0.275293 0.308513 0.275210 P\n0.234051 0.040703 0.572370 P\n0.734051 0.959297 0.927630 P\n0.775293 0.691487 0.224790 P\n0.739508 0.361360 0.590495 P\n0.568652 0.436112 0.602342 O\n0.879671 0.416122 0.634964 O\n0.780808 0.085682 0.963650 O\n0.054425 0.255200 0.826522 O\n0.368309 0.245998 0.844422 O\n0.758993 0.787732 0.280270 O\n0.218744 0.571257 0.507666 O\n0.279686 0.930405 0.173763 O\n0.438112 0.133422 0.035337 O\n0.230512 0.506490 0.709539 O\n0.269168 0.842018 0.364329 O\n0.128272 0.183367 0.045984 O\n0.628272 0.816633 0.454016 O\n0.769168 0.157982 0.135671 O\n0.730512 0.493510 0.790461 O\n0.938112 0.866578 0.464663 O\n0.779686 0.069595 0.326237 O\n0.718744 0.428743 0.992334 O\n0.868309 0.754002 0.655578 O\n0.258993 0.212268 0.219730 O\n0.554425 0.744800 0.673478 O\n0.280808 0.914318 0.536350 O\n0.379671 0.583878 0.865036 O\n0.068652 0.563888 0.897658 O\n0.931348 0.436112 0.102342 O\n0.620329 0.416122 0.134964 O\n0.719192 0.085682 0.463650 O\n0.445575 0.255200 0.326522 O\n0.741007 0.787732 0.780270 O\n0.131691 0.245998 0.344422 O\n0.281256 0.571257 0.007666 O\n0.220314 0.930405 0.673763 O\n0.061888 0.133422 0.535337 O\n0.269488 0.506490 0.209539 O\n0.230832 0.842018 0.864329 O\n0.371728 0.183367 0.545984 O\n0.871728 0.816633 0.954016 O\n0.730832 0.157982 0.635671 O\n0.769488 0.493510 0.290461 O\n0.561888 0.866578 0.964663 O\n0.720314 0.069595 0.826237 O\n0.781256 0.428743 0.492334 O\n0.241007 0.212268 0.719730 O\n0.631691 0.754002 0.155578 O\n0.945575 0.744800 0.173478 O\n0.219192 0.914318 0.036350 O\n0.120329 0.583878 0.365036 O\n0.431348 0.563888 0.397658 O\n",
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"formula_full": "Li12 Fe12 P12 O48",
"formula_reduced": "LiFePO4",
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{
"id": "mp-1521934",
"created_at": "2022-09-04T14:44:09.247333Z",
"structure_string": "K1 Sm1 Sn1 W1 O6\n1.0\n0.000000 -4.248239 -4.248239\n4.248239 0.000000 -4.248239\n4.248239 -4.248239 0.000000\nK Sm Sn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sm\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 W\n0.729798 0.270202 0.270202 O\n0.270202 0.729798 0.729798 O\n0.729798 0.270202 0.729798 O\n0.270202 0.729798 0.270202 O\n0.729798 0.729798 0.270202 O\n0.270202 0.270202 0.729798 O\n",
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"formula_full": "K1 Sm1 Sn1 W1 O6",
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{
"id": "mp-1198188",
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"structure_string": "Li8 P4 H16 O24\n1.0\n8.003288 0.000000 0.000000\n0.000000 5.249134 0.000000\n-6.123023 0.000000 12.487308\nLi P H O\n8 4 16 24\ndirect\n0.990876 0.441629 0.675952 Li\n0.990876 0.058371 0.175952 Li\n0.009124 0.558371 0.324048 Li\n0.009124 0.941629 0.824048 Li\n0.394568 0.448868 0.754326 Li\n0.394568 0.051132 0.254326 Li\n0.605432 0.551132 0.245674 Li\n0.605432 0.948868 0.745674 Li\n0.824847 0.458431 0.842491 P\n0.824847 0.041569 0.342491 P\n0.175153 0.541569 0.157509 P\n0.175153 0.958431 0.657509 P\n0.247861 0.473163 0.893646 H\n0.247861 0.026837 0.393646 H\n0.752139 0.526837 0.106354 H\n0.752139 0.973163 0.606354 H\n0.456343 0.360451 0.954811 H\n0.456343 0.139549 0.454811 H\n0.543657 0.639549 0.045189 H\n0.543657 0.860451 0.545189 H\n0.215758 0.928444 0.028086 H\n0.215758 0.571556 0.528086 H\n0.784242 0.071556 0.971914 H\n0.784242 0.428444 0.471914 H\n0.305828 0.091153 0.968930 H\n0.305828 0.408847 0.468930 H\n0.694172 0.908847 0.031070 H\n0.694172 0.591153 0.531070 H\n0.096867 0.445655 0.031003 O\n0.096867 0.054345 0.531003 O\n0.903133 0.554345 0.968997 O\n0.903133 0.945655 0.468997 O\n0.815026 0.165489 0.841593 O\n0.815026 0.334511 0.341593 O\n0.184974 0.834511 0.158407 O\n0.184974 0.665489 0.658407 O\n0.637251 0.593434 0.797566 O\n0.637251 0.906566 0.297566 O\n0.362749 0.406566 0.202434 O\n0.362749 0.093434 0.702434 O\n0.959926 0.562146 0.801230 O\n0.959926 0.937854 0.301230 O\n0.040074 0.437854 0.198770 O\n0.040074 0.062146 0.698770 O\n0.362222 0.428576 0.887624 O\n0.362222 0.071424 0.387624 O\n0.637778 0.571424 0.112376 O\n0.637778 0.928576 0.612376 O\n0.243616 0.929947 0.965540 O\n0.243616 0.570053 0.465540 O\n0.756384 0.070053 0.034460 O\n0.756384 0.429947 0.534460 O\n",
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{
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{
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{
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"formula_full": "Ca4 Ti4 O8",
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{
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{
"id": "mp-1120730",
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"structure_string": "K6 Cu8 S8\n1.0\n3.827509 0.000000 0.000000\n0.000000 7.864518 0.000000\n0.000000 0.000000 15.697179\nK Cu S\n6 8 8\ndirect\n0.500000 0.017602 0.230670 K\n0.500000 0.982398 0.769330 K\n0.500000 0.482398 0.730670 K\n0.500000 0.517602 0.269330 K\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.071244 0.415136 Cu\n0.000000 0.928756 0.584864 Cu\n0.000000 0.428756 0.915136 Cu\n0.000000 0.571244 0.084864 Cu\n0.500000 0.348632 0.059880 Cu\n0.500000 0.651368 0.940120 Cu\n0.500000 0.151368 0.559880 Cu\n0.500000 0.848632 0.440120 Cu\n0.000000 0.300250 0.140492 S\n0.000000 0.699750 0.859508 S\n0.000000 0.199750 0.640492 S\n0.000000 0.800250 0.359508 S\n0.500000 0.226627 0.415832 S\n0.500000 0.773373 0.584168 S\n0.500000 0.273373 0.915832 S\n0.500000 0.726627 0.084168 S\n",
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"formula_full": "K6 Cu8 S8",
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{
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"structure_string": "U1 Cu2 Si2 Ni8\n1.0\n0.000000 5.695140 5.813359\n2.434370 0.000000 5.813359\n2.434370 5.695140 0.000000\nU Cu Si Ni\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.722140 0.505487 0.494513 Ni\n0.277860 0.494513 0.505487 Ni\n0.505487 0.722140 0.277860 Ni\n0.494513 0.277860 0.722140 Ni\n0.654026 0.993670 0.006330 Ni\n0.345974 0.006330 0.993670 Ni\n0.993670 0.654026 0.345974 Ni\n0.006330 0.345974 0.654026 Ni\n",
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}