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{
"id": "mp-780146",
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"structure_string": "Fe6 O4 F8\n1.0\n4.799558 0.000000 0.000000\n0.000000 4.784728 0.000000\n0.000000 4.601327 9.427740\nFe O F\n6 4 8\ndirect\n0.985553 0.215199 0.823294 Fe\n0.000000 0.500000 0.500000 Fe\n0.014447 0.784801 0.176706 Fe\n0.485553 0.784801 0.676706 Fe\n0.500000 0.500000 0.000000 Fe\n0.514447 0.215199 0.323294 Fe\n0.810355 0.473977 0.331436 O\n0.310355 0.526023 0.168564 O\n0.689645 0.473977 0.831436 O\n0.189645 0.526023 0.668564 O\n0.784751 0.114465 0.674933 F\n0.817889 0.818293 0.997985 F\n0.284751 0.885535 0.825067 F\n0.317889 0.181707 0.502015 F\n0.682111 0.818293 0.497985 F\n0.715249 0.114465 0.174933 F\n0.182111 0.181707 0.002015 F\n0.215249 0.885535 0.325067 F\n",
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{
"id": "mp-771340",
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"structure_string": "Li12 Mn4 P4 C4 O28\n1.0\n0.000012 -0.000019 6.628282\n8.630088 5.234925 0.000003\n-8.370859 5.012112 -0.000036\nLi Mn P C O\n12 4 4 4 28\ndirect\n0.522922 0.019796 0.020615 Li\n0.522886 0.519792 0.520660 Li\n0.022936 0.980197 0.979380 Li\n0.022875 0.480209 0.479342 Li\n0.198195 0.305573 0.126671 Li\n0.198236 0.805577 0.626692 Li\n0.698233 0.694440 0.873328 Li\n0.698226 0.194418 0.373307 Li\n0.385997 0.481365 0.960033 Li\n0.386136 0.981361 0.460030 Li\n0.885990 0.518636 0.039967 Li\n0.886168 0.018646 0.539981 Li\n0.750074 0.661821 0.378153 Mn\n0.250072 0.338187 0.621854 Mn\n0.750387 0.161553 0.878012 Mn\n0.250378 0.838444 0.122001 Mn\n0.250985 0.640338 0.311752 P\n0.251033 0.140327 0.811693 P\n0.750992 0.359660 0.688250 P\n0.751031 0.859670 0.188304 P\n0.740181 0.330967 0.202404 C\n0.740202 0.830977 0.702447 C\n0.240194 0.669035 0.797597 C\n0.240188 0.169022 0.297547 C\n0.707620 0.192415 0.167539 O\n0.707635 0.692420 0.667532 O\n0.207640 0.807588 0.832461 O\n0.207613 0.307575 0.332458 O\n0.765142 0.429642 0.346796 O\n0.765177 0.929622 0.846870 O\n0.265150 0.570359 0.653205 O\n0.265160 0.070372 0.153127 O\n0.071970 0.155810 0.923199 O\n0.071919 0.655827 0.423241 O\n0.571966 0.844193 0.076803 O\n0.571925 0.344172 0.576757 O\n0.441273 0.615488 0.388560 O\n0.441336 0.115450 0.888439 O\n0.941279 0.384511 0.611442 O\n0.941335 0.884531 0.111543 O\n0.750531 0.371766 0.094125 O\n0.750555 0.871841 0.594225 O\n0.250540 0.628236 0.905878 O\n0.250559 0.128163 0.405775 O\n0.212031 0.510086 0.146343 O\n0.212003 0.010089 0.646282 O\n0.712037 0.489918 0.853656 O\n0.712024 0.989913 0.353717 O\n0.277366 0.290430 0.804983 O\n0.277370 0.790427 0.305026 O\n0.777355 0.709567 0.195017 O\n0.777375 0.209575 0.694981 O\n",
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"C",
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],
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"volume": 577.1628694553596,
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"formula_full": "Li12 Mn4 P4 C4 O28",
"formula_reduced": "Li3MnPCO7",
"formula_anonymous": "ABCD3E7",
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"updated_at": "2021-11-28T01:37:06.340000Z",
"spacegroup": 4
},
{
"id": "mp-631631",
"created_at": "2022-09-04T14:45:38.878463Z",
"structure_string": "Mn5 V2 Pb3 O16\n1.0\n2.924330 -5.065088 0.000000\n2.924330 5.065088 0.000000\n0.000000 0.000000 11.449685\nMn V Pb O\n5 2 3 16\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.310215 Mn\n0.000000 0.000000 0.689785 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.333333 0.666667 0.859388 V\n0.666667 0.333333 0.140612 V\n0.333333 0.666667 0.235256 Pb\n0.666667 0.333333 0.764744 Pb\n0.000000 0.000000 0.000000 Pb\n0.177903 0.355806 0.405749 O\n0.666667 0.333333 0.993055 O\n0.165498 0.834502 0.815164 O\n0.355806 0.177903 0.594251 O\n0.333333 0.666667 0.584828 O\n0.165498 0.330995 0.815164 O\n0.822097 0.644194 0.594251 O\n0.644194 0.822097 0.405749 O\n0.822097 0.177903 0.594251 O\n0.333333 0.666667 0.006945 O\n0.330995 0.165498 0.184836 O\n0.177903 0.822097 0.405749 O\n0.834502 0.165498 0.184836 O\n0.834502 0.669005 0.184836 O\n0.669005 0.834502 0.815164 O\n0.666667 0.333333 0.415172 O\n",
"nsites": 26,
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"elements": [
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"O"
],
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"formula_full": "Mn5 V2 Pb3 O16",
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{
"id": "mp-1225792",
"created_at": "2022-09-04T14:45:38.928286Z",
"structure_string": "Er5 P12 Ir19\n1.0\n6.357926 -11.012252 0.000000\n6.357926 11.012252 0.000000\n0.000000 0.000000 3.964735\nEr P Ir\n5 12 19\ndirect\n0.666667 0.333333 0.000000 Er\n0.333333 0.666667 0.000000 Er\n0.815158 0.815158 0.500000 Er\n0.184842 0.000000 0.500000 Er\n0.000000 0.184842 0.500000 Er\n0.688250 0.171038 0.500000 P\n0.828962 0.517212 0.500000 P\n0.482788 0.311750 0.500000 P\n0.171038 0.688250 0.500000 P\n0.517212 0.828962 0.500000 P\n0.311750 0.482788 0.500000 P\n0.641618 0.641618 0.000000 P\n0.358382 0.000000 0.000000 P\n0.000000 0.358382 0.000000 P\n0.177403 0.177403 0.000000 P\n0.822597 0.000000 0.000000 P\n0.000000 0.822597 0.000000 P\n0.806698 0.181192 0.000000 Ir\n0.818808 0.625506 0.000000 Ir\n0.374494 0.193302 0.000000 Ir\n0.181192 0.806698 0.000000 Ir\n0.625506 0.818808 0.000000 Ir\n0.193302 0.374494 0.000000 Ir\n0.461382 0.461382 0.000000 Ir\n0.538618 0.000000 0.000000 Ir\n0.000000 0.538618 0.000000 Ir\n0.283596 0.283596 0.500000 Ir\n0.716404 0.000000 0.500000 Ir\n0.000000 0.716404 0.500000 Ir\n0.866762 0.360811 0.500000 Ir\n0.639189 0.505952 0.500000 Ir\n0.494048 0.133238 0.500000 Ir\n0.360811 0.866762 0.500000 Ir\n0.505952 0.639189 0.500000 Ir\n0.133238 0.494048 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
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"formula_full": "Er5 P12 Ir19",
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{
"id": "mp-554190",
"created_at": "2022-09-04T14:45:38.930526Z",
"structure_string": "Ca8 Zr32 O72\n1.0\n7.404992 8.971877 0.000000\n-7.404992 8.971877 0.000000\n0.000000 5.964533 10.637114\nCa Zr O\n8 32 72\ndirect\n0.063670 0.936330 0.750000 Ca\n0.436960 0.563040 0.250000 Ca\n0.563040 0.436960 0.750000 Ca\n0.886482 0.511601 0.649984 Ca\n0.936330 0.063670 0.250000 Ca\n0.488399 0.113518 0.850016 Ca\n0.113518 0.488399 0.350016 Ca\n0.511601 0.886482 0.149984 Ca\n0.115980 0.255412 0.651079 Zr\n0.358440 0.251696 0.380021 Zr\n0.007640 0.622479 0.822984 Zr\n0.581146 0.210932 0.050897 Zr\n0.748304 0.641560 0.119979 Zr\n0.185908 0.814092 0.250000 Zr\n0.485848 0.333862 0.550123 Zr\n0.210932 0.581146 0.550897 Zr\n0.333862 0.485848 0.050123 Zr\n0.255412 0.115980 0.151079 Zr\n0.514152 0.666138 0.449877 Zr\n0.687483 0.312517 0.250000 Zr\n0.251696 0.358440 0.880021 Zr\n0.064792 0.696227 0.050421 Zr\n0.622479 0.007640 0.322984 Zr\n0.696227 0.064792 0.550421 Zr\n0.884020 0.744588 0.348921 Zr\n0.641560 0.748304 0.619979 Zr\n0.848387 0.935399 0.065583 Zr\n0.789068 0.418854 0.449103 Zr\n0.151613 0.064601 0.934417 Zr\n0.992360 0.377521 0.177016 Zr\n0.418854 0.789068 0.949103 Zr\n0.814092 0.185908 0.750000 Zr\n0.064601 0.151613 0.434417 Zr\n0.666138 0.514152 0.949877 Zr\n0.935399 0.848387 0.565583 Zr\n0.744588 0.884020 0.848921 Zr\n0.377521 0.992360 0.677016 Zr\n0.935208 0.303773 0.949579 Zr\n0.312517 0.687483 0.750000 Zr\n0.303773 0.935208 0.449579 Zr\n0.682081 0.727103 0.441456 O\n0.263565 0.131170 0.328537 O\n0.323786 0.960664 0.877049 O\n0.105268 0.954650 0.522653 O\n0.543498 0.194550 0.245535 O\n0.097309 0.447091 0.579193 O\n0.894732 0.045349 0.477347 O\n0.117310 0.504826 0.144356 O\n0.868830 0.736435 0.171463 O\n0.673178 0.577324 0.762326 O\n0.877795 0.278147 0.151189 O\n0.507373 0.351509 0.362134 O\n0.221059 0.638116 0.367580 O\n0.926116 0.280098 0.785753 O\n0.039336 0.676214 0.622951 O\n0.194550 0.543498 0.745535 O\n0.074352 0.188789 0.240547 O\n0.131170 0.263565 0.828537 O\n0.811211 0.925648 0.259453 O\n0.272897 0.317919 0.058544 O\n0.736435 0.868830 0.671463 O\n0.993947 0.147529 0.628485 O\n0.162936 0.276435 0.455148 O\n0.447091 0.097309 0.079193 O\n0.456502 0.805450 0.754465 O\n0.147529 0.993947 0.128485 O\n0.603483 0.938191 0.523199 O\n0.045350 0.894732 0.977347 O\n0.882690 0.495174 0.855644 O\n0.317753 0.731322 0.523973 O\n0.394352 0.515847 0.490263 O\n0.422676 0.326822 0.737674 O\n0.676214 0.039336 0.122951 O\n0.778941 0.361884 0.632420 O\n0.731322 0.317753 0.023973 O\n0.723565 0.837064 0.044852 O\n0.552909 0.902691 0.920807 O\n0.073884 0.719902 0.214247 O\n0.805450 0.456502 0.254465 O\n0.317919 0.272897 0.558544 O\n0.605648 0.484153 0.509737 O\n0.326822 0.422676 0.237674 O\n0.484153 0.605648 0.009737 O\n0.122205 0.721853 0.848811 O\n0.727103 0.682081 0.941456 O\n0.492627 0.648491 0.637866 O\n0.006053 0.852471 0.371515 O\n0.577324 0.673178 0.262326 O\n0.925648 0.811211 0.759453 O\n0.276435 0.162936 0.955148 O\n0.902691 0.552909 0.420807 O\n0.278147 0.877795 0.651189 O\n0.837064 0.723565 0.544852 O\n0.351509 0.507373 0.862134 O\n0.504826 0.117310 0.644356 O\n0.515847 0.394352 0.990263 O\n0.852471 0.006053 0.871515 O\n0.638116 0.221059 0.867580 O\n0.361884 0.778941 0.132420 O\n0.719902 0.073884 0.714247 O\n0.682247 0.268678 0.476027 O\n0.396517 0.061809 0.476801 O\n0.648491 0.492627 0.137866 O\n0.938191 0.603483 0.023199 O\n0.960664 0.323786 0.377049 O\n0.495174 0.882690 0.355644 O\n0.954650 0.105268 0.022653 O\n0.280098 0.926116 0.285753 O\n0.721853 0.122205 0.348811 O\n0.061809 0.396517 0.976801 O\n0.268678 0.682247 0.976027 O\n0.188789 0.074352 0.740547 O\n",
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"volume": 1413.389022782449,
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"formula_full": "Ca8 Zr32 O72",
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"spacegroup": 15
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{
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"created_at": "2022-09-04T14:45:57.386942Z",
"structure_string": "Al1 Cu1 Rh2\n1.0\n0.000000 2.991537 2.991537\n2.991537 0.000000 2.991537\n2.991537 2.991537 0.000000\nAl Cu Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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{
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}