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{
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{
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"structure_string": "Mg6 Cr1 Bi1 O8\n1.0\n8.918617 0.000000 0.000000\n0.000000 4.550666 0.000000\n0.000000 0.000000 4.550666\nMg Cr Bi O\n6 1 1 8\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.232733 -0.000000 0.500000 Mg\n0.767267 0.000000 0.500000 Mg\n0.232733 0.500000 0.000000 Mg\n0.767267 0.500000 -0.000000 Mg\n0.000000 -0.000000 0.000000 Cr\n0.500000 -0.000000 0.000000 Bi\n0.228496 0.000000 -0.000000 O\n0.771504 -0.000000 0.000000 O\n0.248152 0.500000 0.500000 O\n0.751848 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Mg6 Cr1 Bi1 O8",
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{
"id": "mp-779446",
"created_at": "2022-09-04T14:48:28.902454Z",
"structure_string": "Li6 Mn2 Fe4 B6 O18\n1.0\n3.151513 0.000000 0.000000\n0.000000 8.255019 0.000000\n0.000000 0.022257 14.316086\nLi Mn Fe B O\n6 2 4 6 18\ndirect\n0.500000 0.706404 0.990555 Li\n0.500000 0.659715 0.358372 Li\n0.500000 0.634095 0.650538 Li\n0.500000 0.207022 0.492058 Li\n0.500000 0.158135 0.856406 Li\n0.500000 0.133193 0.151230 Li\n0.000000 0.808425 0.180009 Mn\n0.000000 0.365360 0.005391 Mn\n0.000000 0.864307 0.504539 Fe\n0.000000 0.824967 0.816717 Fe\n0.000000 0.324436 0.317042 Fe\n0.000000 0.311399 0.679844 Fe\n0.500000 0.999869 0.666308 B\n0.000000 0.000195 0.998908 B\n0.500000 0.001119 0.334512 B\n0.500000 0.498113 0.167729 B\n0.000000 0.500229 0.500259 B\n0.500000 0.500992 0.831970 B\n0.500000 0.989195 0.431381 O\n0.500000 0.981368 0.763251 O\n0.500000 0.863670 0.608691 O\n0.500000 0.861489 0.280404 O\n0.000000 0.846463 0.958642 O\n0.500000 0.651124 0.125876 O\n0.500000 0.652774 0.789461 O\n0.000000 0.640029 0.445610 O\n0.000000 0.512067 0.597225 O\n0.500000 0.489561 0.928828 O\n0.500000 0.482991 0.264568 O\n0.500000 0.360756 0.111582 O\n0.500000 0.360902 0.777922 O\n0.000000 0.348510 0.457873 O\n0.500000 0.154795 0.627097 O\n0.500000 0.152751 0.291483 O\n0.000000 0.136745 0.941855 O\n0.000000 0.016832 0.095863 O\n",
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"formula_full": "Li6 Mn2 Fe4 B6 O18",
"formula_reduced": "Li3MnFe2(BO3)3",
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"updated_at": "2021-11-28T01:39:15.881000Z",
"spacegroup": 6
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{
"id": "mp-754934",
"created_at": "2022-09-04T14:48:29.999095Z",
"structure_string": "Co6 O5 F7\n1.0\n5.457963 0.000000 0.000000\n1.669253 5.299534 0.000000\n1.956827 1.365998 6.597955\nCo O F\n6 5 7\ndirect\n0.695256 0.672824 0.838605 Co\n0.682748 0.612958 0.314812 Co\n0.311318 0.366402 0.668827 Co\n0.312065 0.335797 0.168587 Co\n0.000311 0.995164 0.499714 Co\n0.002082 0.003348 0.002637 Co\n0.026597 0.661071 0.668001 O\n0.219983 0.245313 0.966039 O\n0.418107 0.430826 0.370199 O\n0.785328 0.762277 0.032753 O\n0.970401 0.338516 0.332063 O\n0.374160 0.942422 0.336677 F\n0.581879 0.575344 0.635236 F\n0.900646 0.881828 0.302622 F\n0.091530 0.112547 0.699809 F\n0.623408 0.056086 0.665709 F\n0.323016 0.706920 0.990420 F\n0.681164 0.300356 0.007291 F\n",
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"elements": [
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"formula_full": "Co6 O5 F7",
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{
"id": "mp-1516729",
"created_at": "2022-09-04T14:48:28.874259Z",
"structure_string": "Na1 Sm1 Mn1 W1 O6\n1.0\n0.000000 -4.015021 -4.015021\n4.015021 0.000000 -4.015021\n4.015021 -4.015021 0.000000\nNa Sm Mn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.740483 0.259517 0.259517 O\n0.259517 0.740483 0.740483 O\n0.740483 0.259517 0.740483 O\n0.259517 0.740483 0.259517 O\n0.740483 0.740483 0.259517 O\n0.259517 0.259517 0.740483 O\n",
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"formula_full": "Na1 Sm1 Mn1 W1 O6",
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{
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"structure_string": "Eu8 Sn4\n1.0\n5.416220 0.000000 0.000000\n0.000000 7.425283 0.000000\n0.000000 0.000000 10.114089\nEu Sn\n8 4\ndirect\n0.250000 0.685321 0.571742 Eu\n0.750000 0.314679 0.428258 Eu\n0.750000 0.814679 0.071742 Eu\n0.250000 0.185321 0.928258 Eu\n0.250000 0.528831 0.204023 Eu\n0.750000 0.471169 0.795977 Eu\n0.750000 0.971169 0.704023 Eu\n0.250000 0.028831 0.295977 Eu\n0.250000 0.726594 0.896090 Sn\n0.750000 0.273406 0.103910 Sn\n0.750000 0.773406 0.396090 Sn\n0.250000 0.226594 0.603910 Sn\n",
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"formula_full": "Eu8 Sn4",
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{
"id": "mp-1026812",
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"structure_string": "Rb1 Ce1 Mg14\n1.0\n6.739913 0.000000 -0.000000\n-3.369956 5.836935 -0.000000\n0.000000 0.000000 10.531829\nRb Ce Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Rb\n0.166667 0.333333 0.125000 Ce\n0.172957 0.836478 0.125000 Mg\n0.173480 0.836739 0.625000 Mg\n0.663522 0.327043 0.125000 Mg\n0.663261 0.326520 0.625000 Mg\n0.663522 0.836478 0.125000 Mg\n0.663261 0.836739 0.625000 Mg\n0.341323 0.158677 0.365935 Mg\n0.341323 0.158677 0.884065 Mg\n0.341323 0.682648 0.365935 Mg\n0.341323 0.682648 0.884065 Mg\n0.817352 0.158677 0.365935 Mg\n0.817352 0.158677 0.884065 Mg\n0.833333 0.666667 0.370668 Mg\n0.833333 0.666667 0.879332 Mg\n",
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{
"id": "mp-1177426",
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"structure_string": "Li4 Fe3 Cu2 Sn3 O16\n1.0\n6.132694 0.009000 0.007632\n-3.058552 5.297499 0.000009\n0.012386 0.007170 9.680245\nLi Fe Cu Sn O\n4 3 2 3 16\ndirect\n0.339727 0.669881 0.889414 Li\n0.979959 0.989978 0.992584 Li\n0.985292 0.992668 0.500094 Li\n0.668654 0.334355 0.395736 Li\n0.663787 0.831908 0.212988 Fe\n0.831722 0.661719 0.712540 Fe\n0.831723 0.170030 0.712544 Fe\n0.338943 0.669475 0.489483 Cu\n0.675098 0.337577 0.984603 Cu\n0.171045 0.831715 0.213358 Sn\n0.171039 0.339335 0.213353 Sn\n0.342467 0.171247 0.712754 Sn\n0.159257 0.830892 0.599438 O\n0.035778 0.517891 0.345393 O\n0.341197 0.670607 0.096415 O\n0.993611 0.996812 0.315842 O\n0.991738 0.995859 0.808427 O\n0.159251 0.328383 0.599445 O\n0.486205 0.960681 0.344080 O\n0.486203 0.525538 0.344074 O\n0.322815 0.161415 0.094037 O\n0.668524 0.834288 0.607037 O\n0.528671 0.486602 0.843215 O\n0.528670 0.042090 0.843207 O\n0.678873 0.339482 0.600406 O\n0.830977 0.671428 0.100368 O\n0.957796 0.478890 0.836641 O\n0.830975 0.159556 0.100361 O\n",
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{
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"structure_string": "Li12 Cu12 P12 O48\n1.0\n5.655040 0.000000 0.000000\n0.000000 8.472034 0.000000\n0.000000 0.000000 18.617069\nLi Cu P O\n12 12 12 48\ndirect\n0.673316 0.260774 0.000208 Li\n0.316592 0.771960 0.179380 Li\n0.714067 0.239959 0.155177 Li\n0.214067 0.739959 0.344823 Li\n0.816592 0.271960 0.320620 Li\n0.173316 0.760774 0.499792 Li\n0.673316 0.239226 0.500208 Li\n0.316592 0.728040 0.679380 Li\n0.714067 0.260041 0.655177 Li\n0.214067 0.760041 0.844823 Li\n0.816592 0.228040 0.820620 Li\n0.173316 0.739226 0.999792 Li\n0.825264 0.972974 0.068788 Cu\n0.160182 0.488382 0.103024 Cu\n0.758912 0.539435 0.233221 Cu\n0.258912 0.039435 0.266779 Cu\n0.660182 0.988382 0.396976 Cu\n0.325264 0.472974 0.431212 Cu\n0.825264 0.527026 0.568788 Cu\n0.160182 0.011618 0.603024 Cu\n0.758912 0.960565 0.733221 Cu\n0.258912 0.460565 0.766779 Cu\n0.660182 0.511618 0.896976 Cu\n0.325264 0.027026 0.931212 Cu\n0.673936 0.600947 0.068777 P\n0.259838 0.102411 0.092412 P\n0.771431 0.906917 0.239912 P\n0.271431 0.406917 0.260088 P\n0.759838 0.602411 0.407588 P\n0.173936 0.100947 0.431223 P\n0.673936 0.899053 0.568777 P\n0.259838 0.397589 0.592412 P\n0.771431 0.593083 0.739912 P\n0.271431 0.093083 0.760088 P\n0.759838 0.897589 0.907588 P\n0.173936 0.399053 0.931223 P\n0.656424 0.501276 0.000222 O\n0.287847 0.973686 0.032082 O\n0.450460 0.229371 0.087610 O\n0.008112 0.179234 0.083221 O\n0.839115 0.744305 0.062206 O\n0.425421 0.649765 0.095519 O\n0.793181 0.488348 0.126977 O\n0.277229 0.005132 0.163270 O\n0.765658 0.999458 0.169156 O\n0.161904 0.530339 0.205744 O\n0.524291 0.357049 0.236905 O\n0.110660 0.259990 0.261620 O\n0.610660 0.759990 0.238380 O\n0.024291 0.857049 0.263095 O\n0.661904 0.030339 0.294256 O\n0.265658 0.499458 0.330844 O\n0.777229 0.505132 0.336730 O\n0.293181 0.988348 0.373023 O\n0.925421 0.149765 0.404481 O\n0.339115 0.244305 0.437794 O\n0.508112 0.679234 0.416779 O\n0.950460 0.729371 0.412390 O\n0.787847 0.473686 0.467918 O\n0.156424 0.001276 0.499778 O\n0.656424 0.998724 0.500222 O\n0.287847 0.526314 0.532082 O\n0.450460 0.270629 0.587610 O\n0.008112 0.320766 0.583221 O\n0.839115 0.755695 0.562206 O\n0.425421 0.850235 0.595519 O\n0.793181 0.011652 0.626977 O\n0.277229 0.494868 0.663270 O\n0.765658 0.500542 0.669156 O\n0.161904 0.969661 0.705744 O\n0.524291 0.142951 0.736905 O\n0.110660 0.240010 0.761620 O\n0.610660 0.740010 0.738380 O\n0.024291 0.642951 0.763095 O\n0.661904 0.469661 0.794256 O\n0.265658 0.000542 0.830844 O\n0.777229 0.994868 0.836730 O\n0.293181 0.511652 0.873023 O\n0.925421 0.350235 0.904481 O\n0.339115 0.255695 0.937794 O\n0.508112 0.820766 0.916779 O\n0.950460 0.770629 0.912390 O\n0.787847 0.026314 0.967918 O\n0.156424 0.498724 0.999778 O\n",
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{
"id": "mp-1213958",
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"structure_string": "Ce8 Fe2\n1.0\n0.000000 5.113732 5.113732\n5.113732 0.000000 5.113732\n5.113732 5.113732 0.000000\nCe Fe\n8 2\ndirect\n0.385777 0.385777 0.385777 Ce\n0.385777 0.385777 0.842669 Ce\n0.385777 0.842669 0.385777 Ce\n0.864223 0.864223 0.407331 Ce\n0.864223 0.864223 0.864223 Ce\n0.842669 0.385777 0.385777 Ce\n0.864223 0.407331 0.864223 Ce\n0.407331 0.864223 0.864223 Ce\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n",
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{
"id": "mp-632723",
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"structure_string": "Mg1 P1 H1 O9\n1.0\n5.338557 0.000000 0.000000\n-0.249049 5.376865 0.000000\n-0.244527 -0.211918 5.459936\nMg P H O\n1 1 1 9\ndirect\n0.979821 0.982561 0.981726 Mg\n0.522753 0.519677 0.519608 P\n0.361179 0.362571 0.364999 H\n0.455575 0.789677 0.481577 O\n0.483098 0.453114 0.786185 O\n0.794051 0.475813 0.454016 O\n0.038907 0.391861 0.954965 O\n0.958989 0.040073 0.389005 O\n0.389354 0.958457 0.040767 O\n0.571590 0.028057 0.913156 O\n0.915172 0.571614 0.032914 O\n0.020512 0.917524 0.572081 O\n",
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{
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"structure_string": "Na9 Li1 Fe10 Si20 O60\n1.0\n9.808619 0.000000 0.000000\n-1.644373 10.252673 0.000000\n-1.615594 -1.225061 11.066072\nNa Li Fe Si O\n9 1 10 20 60\ndirect\n0.990663 0.712687 0.981351 Na\n0.809385 0.487381 0.618742 Na\n0.790694 0.912604 0.581341 Na\n0.609500 0.687483 0.218655 Na\n0.390552 0.312631 0.781280 Na\n0.209287 0.087364 0.418637 Na\n0.409287 0.887420 0.818760 Na\n0.190571 0.512432 0.381186 Na\n0.009436 0.287342 0.018725 Na\n0.592746 0.121017 0.185506 Li\n0.870088 0.230852 0.740542 Fe\n0.929663 0.969056 0.859730 Fe\n0.729572 0.168640 0.458628 Fe\n0.670141 0.430630 0.340287 Fe\n0.529544 0.368105 0.059735 Fe\n0.470333 0.631131 0.940712 Fe\n0.329744 0.569016 0.659509 Fe\n0.270442 0.831100 0.540318 Fe\n0.070204 0.030802 0.140397 Fe\n0.129867 0.769155 0.259397 Fe\n0.924336 0.275580 0.268606 Si\n0.860815 0.518636 0.140561 Si\n0.939068 0.681150 0.459466 Si\n0.874729 0.923530 0.330837 Si\n0.738659 0.881665 0.060272 Si\n0.725358 0.476479 0.869305 Si\n0.674096 0.123182 0.932284 Si\n0.660863 0.718751 0.740424 Si\n0.539222 0.081449 0.660054 Si\n0.525360 0.676671 0.469040 Si\n0.474745 0.323584 0.530611 Si\n0.461644 0.919626 0.339167 Si\n0.339605 0.280252 0.259281 Si\n0.326067 0.877203 0.069175 Si\n0.274853 0.523517 0.130730 Si\n0.260843 0.118784 0.940358 Si\n0.125313 0.076422 0.669272 Si\n0.060673 0.318649 0.540337 Si\n0.139102 0.481290 0.859571 Si\n0.074645 0.723589 0.730664 Si\n0.948380 0.155954 0.176207 O\n0.949759 0.408475 0.195957 O\n0.971115 0.064531 0.712702 O\n0.950151 0.664959 0.181005 O\n0.852427 0.043797 0.423796 O\n0.902612 0.291215 0.575866 O\n0.896620 0.908867 0.023987 O\n0.952470 0.701711 0.609408 O\n0.849814 0.534620 0.418862 O\n0.768208 0.261172 0.309251 O\n0.828041 0.135640 0.887962 O\n0.849873 0.791186 0.404340 O\n0.650798 0.241414 0.027183 O\n0.847383 0.497889 0.990597 O\n0.702677 0.491150 0.176152 O\n0.696809 0.108642 0.623535 O\n0.752680 0.901434 0.210006 O\n0.747934 0.356117 0.776624 O\n0.649835 0.735158 0.018993 O\n0.750101 0.608715 0.795776 O\n0.629001 0.335618 0.487240 O\n0.649035 0.991983 0.006769 O\n0.750007 0.865147 0.781026 O\n0.551189 0.066553 0.376830 O\n0.647423 0.698185 0.590402 O\n0.498103 0.304126 0.223413 O\n0.552817 0.102182 0.810134 O\n0.547904 0.556122 0.376367 O\n0.550089 0.809245 0.395557 O\n0.571350 0.463877 0.912818 O\n0.429043 0.535377 0.087503 O\n0.450004 0.191258 0.604133 O\n0.452062 0.443780 0.623355 O\n0.449130 0.900591 0.189531 O\n0.502863 0.691170 0.775992 O\n0.352840 0.301824 0.409241 O\n0.449979 0.935159 0.619149 O\n0.249238 0.134537 0.219063 O\n0.349886 0.008838 0.995139 O\n0.371243 0.664512 0.512514 O\n0.251210 0.391129 0.204285 O\n0.349810 0.265302 0.980762 O\n0.252156 0.643754 0.223469 O\n0.247450 0.098234 0.790384 O\n0.303820 0.891754 0.375717 O\n0.297115 0.508776 0.823978 O\n0.152572 0.501787 0.009543 O\n0.348081 0.756256 0.976780 O\n0.150029 0.208682 0.595652 O\n0.171735 0.864496 0.112718 O\n0.228812 0.735556 0.687310 O\n0.150128 0.464932 0.580843 O\n0.046078 0.298079 0.390324 O\n0.102757 0.091255 0.975887 O\n0.097177 0.708791 0.423941 O\n0.147974 0.956158 0.576548 O\n0.049759 0.334919 0.818968 O\n0.028898 0.935432 0.287493 O\n0.049873 0.591287 0.804189 O\n0.051959 0.843829 0.823373 O\n",
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"formula_full": "Na9 Li1 Fe10 Si20 O60",
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}
]
}