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{
"id": "mp-1175355",
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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n1.430816 2.674810 0.000000\n-1.430816 2.674810 0.000000\n0.000000 1.746821 29.438650\nLi Mn Co O\n7 4 1 12\ndirect\n0.333094 0.333094 0.916918 Li\n0.000345 0.000345 0.749661 Li\n0.665545 0.665545 0.581424 Li\n0.334440 0.334440 0.418430 Li\n0.995477 0.995477 0.244962 Li\n0.670078 0.670078 0.088022 Li\n0.334473 0.334473 0.167290 Li\n0.002860 0.002860 0.000139 Mn\n0.665171 0.665171 0.333102 Mn\n0.666886 0.666886 0.833224 Mn\n0.331880 0.331880 0.666555 Mn\n0.999780 0.999780 0.500033 Co\n0.649164 0.649164 0.961220 O\n0.311665 0.311665 0.794841 O\n0.980004 0.980004 0.628785 O\n0.676454 0.676454 0.461902 O\n0.320207 0.320207 0.297161 O\n0.996862 0.996862 0.124698 O\n0.021634 0.021634 0.871578 O\n0.686807 0.686807 0.705478 O\n0.323969 0.323969 0.538137 O\n0.015831 0.015831 0.371109 O\n0.668981 0.668981 0.209092 O\n0.348395 0.348395 0.036237 O\n",
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{
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"spacegroup": 139
},
{
"id": "mp-28000",
"created_at": "2022-09-04T14:41:05.241008Z",
"structure_string": "P4 W8 O32\n1.0\n5.374342 0.000000 0.000000\n0.000000 6.726776 0.000000\n0.000000 0.000000 17.779838\nP W O\n4 8 32\ndirect\n0.767684 0.549585 0.311264 P\n0.732316 0.450415 0.811264 P\n0.267684 0.950415 0.688736 P\n0.232316 0.049586 0.188736 P\n0.758020 0.909263 0.453791 W\n0.741980 0.090737 0.953791 W\n0.258020 0.590737 0.546209 W\n0.241980 0.409263 0.046209 W\n0.742151 0.749675 0.128400 W\n0.757849 0.250325 0.628400 W\n0.242151 0.750325 0.871600 W\n0.257849 0.249675 0.371600 W\n0.053172 0.767176 0.495384 O\n0.446828 0.232824 0.995384 O\n0.553172 0.732824 0.504616 O\n0.946828 0.267176 0.004616 O\n0.756393 0.737876 0.359241 O\n0.743607 0.262124 0.859241 O\n0.256393 0.762124 0.640759 O\n0.243607 0.237876 0.140759 O\n0.738340 0.608742 0.228159 O\n0.761660 0.391258 0.728159 O\n0.238340 0.891258 0.771841 O\n0.261660 0.108742 0.271841 O\n0.023087 0.598767 0.099388 O\n0.476913 0.401233 0.599388 O\n0.523087 0.901233 0.900612 O\n0.976913 0.098767 0.400612 O\n0.528298 0.561816 0.090429 O\n0.971702 0.438184 0.590429 O\n0.028298 0.938184 0.909571 O\n0.471702 0.061816 0.409571 O\n0.554808 0.404773 0.331650 O\n0.945192 0.595227 0.831650 O\n0.054808 0.095227 0.668350 O\n0.445192 0.904773 0.168350 O\n0.022409 0.445007 0.320496 O\n0.477591 0.554993 0.820496 O\n0.522409 0.054993 0.679504 O\n0.977591 0.945007 0.179504 O\n0.757933 0.094245 0.542985 O\n0.742067 0.905755 0.042985 O\n0.257933 0.405755 0.457015 O\n0.242067 0.594245 0.957015 O\n",
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},
{
"id": "mp-1225961",
"created_at": "2022-09-04T14:41:05.251719Z",
"structure_string": "Cs2 Sc2 Cu2 F12\n1.0\n-3.688988 3.859280 5.457371\n3.688988 -3.859280 5.457371\n3.688988 3.859280 -5.457371\nCs Sc Cu F\n2 2 2 12\ndirect\n0.362701 0.612701 0.750000 Cs\n0.637299 0.387299 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.313417 0.063417 0.250000 F\n0.943186 0.693186 0.250000 F\n0.326685 0.678343 0.245091 F\n0.933252 0.081594 0.254909 F\n0.326685 0.081594 0.648342 F\n0.933252 0.678343 0.851658 F\n0.686583 0.936583 0.750000 F\n0.056814 0.306814 0.750000 F\n0.673315 0.321657 0.754909 F\n0.066748 0.918406 0.745091 F\n0.673315 0.918406 0.351658 F\n0.066748 0.321657 0.148342 F\n",
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"elements": [
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"density": 3.79784124052485,
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"formula_full": "Cs2 Sc2 Cu2 F12",
"formula_reduced": "CsScCuF6",
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{
"id": "mp-355",
"created_at": "2022-09-04T14:41:05.273600Z",
"structure_string": "Nd20 Si16\n1.0\n7.894454 0.000000 0.000000\n0.000000 7.894454 0.000000\n0.000000 0.000000 15.137412\nNd Si\n20 16\ndirect\n0.481231 0.372769 0.125967 Nd\n0.981231 0.127231 0.624033 Nd\n0.872769 0.018769 0.875967 Nd\n0.127231 0.981231 0.375967 Nd\n0.518769 0.627231 0.625967 Nd\n0.372769 0.481231 0.874033 Nd\n0.627231 0.518769 0.374033 Nd\n0.018769 0.872769 0.124033 Nd\n0.622747 0.988588 0.448210 Nd\n0.377253 0.011412 0.948210 Nd\n0.988588 0.622747 0.551790 Nd\n0.488588 0.877253 0.198210 Nd\n0.511412 0.122747 0.698210 Nd\n0.877253 0.488588 0.801790 Nd\n0.122747 0.511412 0.301790 Nd\n0.011412 0.377253 0.051790 Nd\n0.308602 0.308602 0.500000 Nd\n0.191398 0.808602 0.750000 Nd\n0.808602 0.191398 0.250000 Nd\n0.691398 0.691398 0.000000 Nd\n0.287827 0.922574 0.559725 Si\n0.712173 0.077426 0.059725 Si\n0.922574 0.287827 0.440275 Si\n0.422574 0.212173 0.309725 Si\n0.577426 0.787827 0.809725 Si\n0.212173 0.422574 0.690275 Si\n0.787827 0.577426 0.190275 Si\n0.077426 0.712173 0.940275 Si\n0.805654 0.830569 0.701242 Si\n0.194346 0.169431 0.201242 Si\n0.830569 0.805654 0.298758 Si\n0.330569 0.694346 0.451242 Si\n0.669431 0.305654 0.951242 Si\n0.694346 0.330569 0.548758 Si\n0.305654 0.669431 0.048758 Si\n0.169431 0.194346 0.798758 Si\n",
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"elements": [
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{
"id": "mp-695021",
"created_at": "2022-09-04T14:41:05.320062Z",
"structure_string": "Li6 Ti6 Fe2 P12 O48\n1.0\n7.526524 0.003078 4.354680\n2.503154 7.089826 4.359447\n0.017832 0.022278 17.450384\nLi Ti Fe P O\n6 6 2 12 48\ndirect\n0.640035 0.239666 0.411883 Li\n0.634921 0.541399 0.179016 Li\n0.970930 0.885909 0.055813 Li\n0.399421 0.471528 0.803526 Li\n0.744858 0.563140 0.642995 Li\n0.964162 0.882970 0.563526 Li\n0.141928 0.140885 0.067497 Ti\n0.361121 0.359710 0.178351 Ti\n0.147694 0.136825 0.567519 Ti\n0.357507 0.345596 0.684963 Ti\n0.641379 0.648367 0.322178 Ti\n0.859533 0.858682 0.926747 Ti\n0.868057 0.855098 0.425059 Fe\n0.643584 0.638086 0.821389 Fe\n0.044415 0.744013 0.230840 P\n0.465024 0.043762 0.375929 P\n0.248742 0.536154 0.486320 P\n0.756539 0.455424 0.016614 P\n0.045915 0.741321 0.731002 P\n0.536526 0.962705 0.125147 P\n0.463809 0.031408 0.876037 P\n0.961444 0.251669 0.263800 P\n0.251068 0.539767 0.981780 P\n0.751116 0.450397 0.520002 P\n0.538480 0.957022 0.626094 P\n0.962337 0.246106 0.767729 P\n0.990681 0.199933 0.184037 O\n0.199880 0.370507 0.004381 O\n0.371573 0.995014 0.102561 O\n0.125583 0.309459 0.238535 O\n0.310261 0.505720 0.060053 O\n0.056558 0.909862 0.136184 O\n0.504679 0.128547 0.146737 O\n0.229391 0.577323 0.219021 O\n0.278449 0.056474 0.458300 O\n0.014786 0.193355 0.683051 O\n0.434823 0.217194 0.289295 O\n0.211306 0.368799 0.498149 O\n0.073860 0.717353 0.484631 O\n0.594096 0.433102 0.113459 O\n0.380472 0.000141 0.594854 O\n0.122577 0.298104 0.753938 O\n0.419455 0.560674 0.394539 O\n0.927003 0.270728 0.026096 O\n0.298848 0.489587 0.570641 O\n0.075991 0.905928 0.635560 O\n0.558219 0.774414 0.210710 O\n0.486201 0.111090 0.663262 O\n0.233608 0.572796 0.727407 O\n0.728089 0.930819 0.044405 O\n0.282822 0.050796 0.961894 O\n0.766682 0.418257 0.275984 O\n0.525040 0.861645 0.356138 O\n0.439341 0.227463 0.796870 O\n0.935361 0.093264 0.360202 O\n0.710365 0.478619 0.436217 O\n0.077342 0.723730 0.977568 O\n0.588124 0.418502 0.614211 O\n0.877474 0.691381 0.250622 O\n0.621674 0.033274 0.397761 O\n0.408246 0.558426 0.885055 O\n0.925798 0.271670 0.529761 O\n0.782763 0.623351 0.507958 O\n0.569632 0.758680 0.700962 O\n0.008935 0.794023 0.311920 O\n0.724566 0.962664 0.540428 O\n0.777115 0.415845 0.768854 O\n0.499033 0.876247 0.846487 O\n0.936806 0.079413 0.860606 O\n0.704730 0.491028 0.936470 O\n0.886392 0.699898 0.738246 O\n0.632948 0.989510 0.900442 O\n0.803214 0.620283 0.002702 O\n0.000462 0.792299 0.814984 O\n",
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"volume_molar": 7.568447972698257,
"formula_full": "Li6 Ti6 Fe2 P12 O48",
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{
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"structure_string": "Ca1 Co4 S8\n1.0\n6.474020 -3.391155 0.000000\n6.474020 3.391155 0.000000\n4.697700 0.000000 5.598615\nCa Co S\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.268143 0.773338 0.773338 S\n0.226662 0.226662 0.731857 S\n0.731857 0.226662 0.226662 S\n0.226662 0.731857 0.226662 S\n0.271830 0.271830 0.271830 S\n0.728170 0.728170 0.728170 S\n0.773338 0.268143 0.773338 S\n0.773338 0.773338 0.268143 S\n",
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{
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"structure_string": "Ce4 Fe4 O12\n1.0\n5.467034 0.000000 0.000000\n0.000000 5.783950 0.000000\n0.000000 0.000000 7.777250\nCe Fe O\n4 4 12\ndirect\n0.024681 0.416293 0.750000 Ce\n0.475319 0.916293 0.750000 Ce\n0.524681 0.083707 0.250000 Ce\n0.975319 0.583707 0.250000 Ce\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.135887 0.953042 0.250000 O\n0.181975 0.681096 0.568120 O\n0.181975 0.681096 0.931880 O\n0.318025 0.181096 0.568120 O\n0.318025 0.181096 0.931880 O\n0.364113 0.453042 0.250000 O\n0.635887 0.546958 0.750000 O\n0.681975 0.818904 0.068120 O\n0.681975 0.818904 0.431880 O\n0.818025 0.318904 0.068120 O\n0.818025 0.318904 0.431880 O\n0.864113 0.046958 0.750000 O\n",
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{
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