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"structure_string": "La28 Sm4 Mn24 Fe8 O80\n1.0\n-0.001415 -0.009607 11.318567\n11.872407 0.001184 -0.001779\n-5.934055 15.854857 -5.671724\nLa Sm Mn Fe O\n28 4 24 8 80\ndirect\n0.297451 0.065152 0.110519 La\n0.303951 0.064339 0.610106 La\n0.300068 0.564880 0.610882 La\n0.794671 0.065195 0.610835 La\n0.799637 0.565748 0.109433 La\n0.799973 0.564710 0.611367 La\n0.189081 0.433941 0.388392 La\n0.189641 0.436416 0.891455 La\n0.192248 0.934531 0.387345 La\n0.191377 0.935706 0.889997 La\n0.688221 0.435599 0.388778 La\n0.682701 0.934538 0.388419 La\n0.690080 0.934247 0.890531 La\n0.044414 0.294777 0.110662 La\n0.050267 0.297074 0.612497 La\n0.048938 0.797654 0.610494 La\n0.553707 0.294056 0.110475 La\n0.549659 0.295260 0.612029 La\n0.546965 0.794962 0.110330 La\n0.550983 0.794190 0.611076 La\n0.439110 0.204891 0.388184 La\n0.444622 0.206090 0.889758 La\n0.437425 0.705130 0.387683 La\n0.440062 0.704221 0.889686 La\n0.936548 0.200741 0.387312 La\n0.934767 0.205756 0.889612 La\n0.937379 0.703522 0.386864 La\n0.940656 0.703929 0.890897 La\n0.294023 0.566804 0.109382 Sm\n0.796946 0.065209 0.108671 Sm\n0.688845 0.434820 0.891783 Sm\n0.048221 0.793758 0.110021 Sm\n0.002414 0.000101 0.499546 Mn\n0.001917 0.499687 0.499677 Mn\n0.501660 0.499803 0.499795 Mn\n0.253587 0.251690 0.001218 Mn\n0.251918 0.248947 0.499569 Mn\n0.252261 0.750241 0.499407 Mn\n0.751628 0.249412 0.500226 Mn\n0.751219 0.750487 0.499290 Mn\n0.103714 0.096567 0.247487 Mn\n0.108851 0.100947 0.750439 Mn\n0.109249 0.598977 0.248271 Mn\n0.108999 0.599069 0.750608 Mn\n0.609708 0.097306 0.248489 Mn\n0.609456 0.099154 0.753064 Mn\n0.604186 0.598480 0.247218 Mn\n0.609860 0.597954 0.752288 Mn\n0.357170 0.401661 0.247313 Mn\n0.360531 0.401652 0.751212 Mn\n0.352917 0.898956 0.244839 Mn\n0.358439 0.901212 0.750312 Mn\n0.858249 0.400328 0.249537 Mn\n0.856840 0.401172 0.752036 Mn\n0.858669 0.900381 0.248113 Mn\n0.860191 0.901917 0.751481 Mn\n0.004102 0.998912 0.001489 Fe\n0.003782 0.501302 0.001487 Fe\n0.505380 0.999965 0.000575 Fe\n0.502478 0.999824 0.499647 Fe\n0.504292 0.501753 0.001240 Fe\n0.254216 0.750244 0.001016 Fe\n0.753557 0.249960 0.000448 Fe\n0.756011 0.750673 0.001256 Fe\n0.111415 0.114028 0.471331 O\n0.110748 0.116049 0.976739 O\n0.109449 0.617756 0.473761 O\n0.114265 0.617574 0.979887 O\n0.612095 0.117589 0.480708 O\n0.615295 0.116141 0.978215 O\n0.610129 0.619426 0.476686 O\n0.614779 0.613919 0.975188 O\n0.135952 0.385986 0.027284 O\n0.135915 0.382297 0.526040 O\n0.135204 0.879271 0.026939 O\n0.139036 0.885005 0.526408 O\n0.635027 0.379916 0.020902 O\n0.633854 0.380942 0.523828 O\n0.639864 0.884331 0.025220 O\n0.631098 0.882349 0.518288 O\n0.366650 0.110214 0.479810 O\n0.365961 0.109856 0.975657 O\n0.360199 0.607244 0.475197 O\n0.362706 0.612181 0.976451 O\n0.859665 0.106897 0.473370 O\n0.862605 0.109223 0.979838 O\n0.859788 0.607476 0.474420 O\n0.860551 0.606642 0.974326 O\n0.387410 0.401731 0.028448 O\n0.384241 0.391310 0.523195 O\n0.385575 0.892455 0.022748 O\n0.387402 0.888959 0.520025 O\n0.882523 0.390792 0.020562 O\n0.885109 0.392633 0.525397 O\n0.889293 0.893608 0.029430 O\n0.885851 0.892694 0.525386 O\n0.102605 0.121664 0.140421 O\n0.105471 0.121332 0.640669 O\n0.105449 0.621981 0.139850 O\n0.102836 0.621367 0.641130 O\n0.609792 0.118124 0.140341 O\n0.601370 0.120071 0.643422 O\n0.607275 0.621242 0.140142 O\n0.602964 0.618742 0.642036 O\n0.460435 0.380738 0.357961 O\n0.468623 0.383133 0.860510 O\n0.454690 0.880533 0.355717 O\n0.459838 0.880687 0.860448 O\n0.961957 0.377886 0.358908 O\n0.962888 0.380477 0.860967 O\n0.965018 0.878656 0.357669 O\n0.959671 0.881179 0.861962 O\n0.356803 0.268505 0.140395 O\n0.353121 0.271554 0.641085 O\n0.352330 0.766532 0.138559 O\n0.355563 0.772411 0.640434 O\n0.846684 0.269047 0.139193 O\n0.850116 0.270912 0.641552 O\n0.861075 0.769587 0.140420 O\n0.849024 0.771726 0.640375 O\n0.213129 0.224790 0.357848 O\n0.215469 0.230791 0.860601 O\n0.211825 0.729014 0.358621 O\n0.208965 0.729461 0.861162 O\n0.708335 0.228841 0.359602 O\n0.708906 0.231648 0.862038 O\n0.707739 0.728817 0.358036 O\n0.710467 0.730457 0.861732 O\n0.421851 0.068671 0.249216 O\n0.422007 0.069961 0.750616 O\n0.414276 0.570517 0.244044 O\n0.420731 0.570845 0.749855 O\n0.914081 0.070342 0.244537 O\n0.920818 0.071343 0.750762 O\n0.922465 0.568399 0.248987 O\n0.921100 0.569143 0.750629 O\n0.170518 0.429449 0.249708 O\n0.173018 0.430761 0.751394 O\n0.164611 0.925235 0.243649 O\n0.170783 0.930647 0.750334 O\n0.671040 0.431201 0.249948 O\n0.671017 0.429797 0.756409 O\n0.671524 0.928749 0.249987 O\n0.671981 0.929958 0.750366 O\n",
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"elements": [
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],
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"density_atomic": 0.06760606191018143,
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"volume_molar": 8.907693466897635,
"formula_full": "La28 Sm4 Mn24 Fe8 O80",
"formula_reduced": "La7SmMn6(FeO10)2",
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"updated_at": "2021-11-28T01:36:19.966000Z",
"spacegroup": 1
},
{
"id": "mp-1232184",
"created_at": "2022-09-04T14:43:50.046504Z",
"structure_string": "Pm16 Se24\n1.0\n-4.447942 4.447942 13.340214\n4.447942 -4.447942 13.340214\n4.447942 4.447942 -13.340214\nPm Se\n16 24\ndirect\n0.843589 0.952315 0.375438 Pm\n0.576877 0.468151 0.624562 Pm\n0.166856 0.166856 0.000000 Pm\n0.875000 0.506006 0.131006 Pm\n0.173123 0.297685 0.391273 Pm\n0.583144 0.083144 0.500000 Pm\n0.906411 0.781849 0.608727 Pm\n0.375000 0.743994 0.868994 Pm\n0.218151 0.826877 0.124562 Pm\n0.916856 0.416856 0.500000 Pm\n0.493994 0.625000 0.368994 Pm\n0.256006 0.125000 0.631006 Pm\n0.702315 0.093589 0.875438 Pm\n0.833144 0.833144 0.000000 Pm\n0.531849 0.156411 0.108727 Pm\n0.047685 0.423123 0.891273 Pm\n0.507679 0.112323 0.253397 Se\n0.073331 0.826456 0.607727 Se\n0.858926 0.254282 0.746603 Se\n0.891074 0.137677 0.895356 Se\n0.242321 0.995718 0.104644 Se\n0.676669 0.784396 0.253124 Se\n0.218728 0.465604 0.392273 Se\n0.842611 0.436256 0.246325 Se\n0.531272 0.423544 0.746876 Se\n0.403714 0.157389 0.593645 Se\n0.189931 0.596286 0.753675 Se\n0.215604 0.468728 0.892273 Se\n0.576456 0.323331 0.107727 Se\n0.004282 0.108926 0.246603 Se\n0.563744 0.810069 0.406355 Se\n0.173544 0.781272 0.246876 Se\n0.862323 0.757679 0.753397 Se\n0.745718 0.492321 0.604644 Se\n0.534396 0.926669 0.753124 Se\n0.560069 0.813744 0.906355 Se\n0.907389 0.653714 0.093645 Se\n0.346286 0.439931 0.253675 Se\n0.887677 0.141074 0.395356 Se\n0.186256 0.092611 0.746325 Se\n",
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"formula_full": "Pm16 Se24",
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},
{
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"created_at": "2022-09-04T14:43:50.065647Z",
"structure_string": "Th1 Mn3 Al2\n1.0\n2.729920 -4.357678 0.000000\n2.729920 4.357678 0.000000\n0.000000 0.000000 4.195116\nTh Mn Al\n1 3 2\ndirect\n0.500000 0.500000 0.000000 Th\n0.153408 0.846592 0.000000 Mn\n0.846592 0.153408 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n",
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],
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"volume": 99.81114231118596,
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"formula_full": "Th1 Mn3 Al2",
"formula_reduced": "ThMn3Al2",
"formula_anonymous": "AB2C3",
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"spacegroup": 65
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{
"id": "mp-1111031",
"created_at": "2022-09-04T14:43:50.068055Z",
"structure_string": "Rb2 Nb1 Cu1 F6\n1.0\n0.000000 4.378492 4.378492\n4.378492 0.000000 4.378492\n4.378492 4.378492 0.000000\nRb Nb Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Cu\n0.242174 0.242174 0.757826 F\n0.242174 0.757826 0.757826 F\n0.757826 0.757826 0.242174 F\n0.242174 0.757826 0.242174 F\n0.757826 0.242174 0.757826 F\n0.757826 0.242174 0.242174 F\n",
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"volume": 167.8818233043433,
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"formula_full": "Rb2 Nb1 Cu1 F6",
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"formula_anonymous": "ABC2D6",
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{
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"structure_string": "Fe3 Si4 Ir1\n1.0\n3.223119 -3.211586 0.000000\n3.223119 3.211586 0.000000\n0.023024 0.000000 4.549972\nFe Si Ir\n3 4 1\ndirect\n0.138895 0.365811 0.634219 Fe\n0.634219 0.138895 0.365811 Fe\n0.365811 0.634219 0.138895 Fe\n0.170946 0.170946 0.170946 Si\n0.833916 0.644821 0.344240 Si\n0.344240 0.833916 0.644821 Si\n0.644821 0.344240 0.833916 Si\n0.867152 0.867152 0.867152 Ir\n",
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"elements": [
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"Ir"
],
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"density": 8.322292242598222,
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"volume": 94.19646742214343,
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"formula_full": "Fe3 Si4 Ir1",
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{
"id": "mp-966740",
"created_at": "2022-09-04T14:43:50.008489Z",
"structure_string": "Cs5 Tl11 Cd2\n1.0\n6.806874 -9.291958 0.000000\n6.806874 9.291958 0.000000\n0.000000 0.000000 5.895961\nCs Tl Cd\n5 11 2\ndirect\n0.226644 0.608021 0.500000 Cs\n0.513838 0.895150 0.000000 Cs\n0.608021 0.226644 0.500000 Cs\n0.631432 0.631432 0.500000 Cs\n0.895150 0.513838 0.000000 Cs\n0.137768 0.337505 0.000000 Tl\n0.147330 0.842696 0.000000 Tl\n0.284030 0.284030 0.500000 Tl\n0.287464 0.977312 0.500000 Tl\n0.337505 0.137768 0.000000 Tl\n0.429830 0.429830 0.000000 Tl\n0.794846 0.986611 0.500000 Tl\n0.836940 0.836940 0.000000 Tl\n0.842696 0.147330 0.000000 Tl\n0.977312 0.287464 0.500000 Tl\n0.986611 0.794846 0.500000 Tl\n0.062742 0.062742 0.249864 Cd\n0.062742 0.062742 0.750136 Cd\n",
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"elements": [
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],
"chemical_system": "Cd-Cs-Tl",
"density": 6.985578206952316,
"density_atomic": 0.0241342027901067,
"volume": 745.8294834324802,
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"formula_full": "Cs5 Tl11 Cd2",
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"updated_at": "2021-11-28T01:36:24.709000Z",
"spacegroup": 38
}
]
}