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{
"id": "mp-675284",
"created_at": "2022-09-04T14:45:19.118210Z",
"structure_string": "Lu16 Ti8 O40\n1.0\n-7.266485 0.000000 0.000000\n3.580615 6.369717 0.000000\n-0.031736 -0.386553 -17.504299\nLu Ti O\n16 8 40\ndirect\n0.477575 0.461581 0.007119 Lu\n0.657818 0.335932 0.830441 Lu\n0.816569 0.144790 0.673332 Lu\n0.343040 0.152232 0.671561 Lu\n0.145864 0.297855 0.840683 Lu\n0.970806 0.959356 0.502480 Lu\n0.167049 0.853757 0.841939 Lu\n0.170180 0.844214 0.332503 Lu\n0.525686 0.012597 0.488971 Lu\n0.640393 0.791818 0.330257 Lu\n0.814862 0.662279 0.669710 Lu\n0.322493 0.634357 0.174875 Lu\n0.513989 0.498116 0.491917 Lu\n0.001809 0.520297 0.009767 Lu\n0.806594 0.632987 0.175489 Lu\n0.843921 0.172857 0.175879 Lu\n0.972947 0.969415 0.004785 Ti\n0.320883 0.656130 0.670911 Ti\n0.660201 0.318350 0.330420 Ti\n0.490409 0.963367 0.000144 Ti\n0.677997 0.819298 0.835273 Ti\n0.333783 0.165863 0.163332 Ti\n0.160917 0.328326 0.336520 Ti\n0.974381 0.465779 0.505517 Ti\n0.173425 0.856478 0.968551 O\n0.615113 0.794075 0.725980 O\n0.152427 0.358040 0.959187 O\n0.849452 0.661640 0.800480 O\n0.462186 0.477035 0.611615 O\n0.504960 0.554113 0.876239 O\n0.680143 0.340283 0.699590 O\n0.686455 0.340537 0.447843 O\n0.690114 0.348947 0.952939 O\n0.826687 0.164765 0.800409 O\n0.324587 0.158008 0.798812 O\n0.486878 0.978525 0.612642 O\n0.492842 0.909873 0.885769 O\n0.173702 0.406921 0.722001 O\n0.174270 0.428447 0.445587 O\n0.903047 0.308101 0.305934 O\n0.854421 0.194087 0.541438 O\n0.017866 0.041793 0.365591 O\n0.133786 0.129906 0.084264 O\n0.196883 0.874817 0.459369 O\n0.013661 0.003686 0.629192 O\n0.193381 0.796317 0.718774 O\n0.947844 0.969518 0.890868 O\n0.644968 0.809029 0.456598 O\n0.835832 0.638610 0.302184 O\n0.675293 0.850328 0.207692 O\n0.838238 0.642554 0.541621 O\n0.517148 0.027631 0.352014 O\n0.479222 0.127883 0.079087 O\n0.194753 0.891286 0.204438 O\n0.379207 0.706022 0.046533 O\n0.298941 0.637446 0.299640 O\n0.485908 0.474418 0.132564 O\n0.457486 0.416393 0.355295 O\n0.143018 0.577203 0.587615 O\n0.990083 0.484217 0.130638 O\n0.166949 0.270650 0.223031 O\n0.819124 0.702000 0.045342 O\n0.605985 0.271426 0.219926 O\n0.770216 0.048769 0.032217 O\n",
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"spacegroup": 1
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{
"id": "mp-1106179",
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"structure_string": "Ho10 Si6 C2\n1.0\n0.000000 0.000000 -6.333071\n-4.217730 -7.305322 0.000000\n-4.219734 7.306479 0.000000\nHo Si C\n10 6 2\ndirect\n0.500001 0.333291 0.666599 Ho\n0.500001 0.666692 0.333401 Ho\n0.000001 0.666709 0.333401 Ho\n0.000001 0.333308 0.666599 Ho\n0.749997 0.224003 0.000000 Ho\n0.750002 0.775899 0.775817 Ho\n0.750002 0.000082 0.224183 Ho\n0.249997 0.775997 0.000000 Ho\n0.250002 0.224101 0.224183 Ho\n0.250002 0.999918 0.775817 Ho\n0.750005 0.592961 0.000000 Si\n0.749996 0.407051 0.407042 Si\n0.749996 0.000009 0.592958 Si\n0.250005 0.407039 0.000000 Si\n0.249996 0.592949 0.592958 Si\n0.249996 0.999991 0.407042 Si\n0.500001 0.999994 0.000000 C\n0.000001 0.000006 0.000000 C\n",
"nsites": 18,
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"elements": [
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"density": 7.834303593545552,
"density_atomic": 0.04610759505820531,
"volume": 390.39121379627716,
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"formula_full": "Ho10 Si6 C2",
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"spacegroup": 193
},
{
"id": "mp-10769",
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"structure_string": "Ba2 Sb2 Au2\n1.0\n2.842502 -4.923358 0.000000\n2.842502 4.923358 0.000000\n0.000000 0.000000 6.907174\nBa Sb Au\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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"formula_full": "Ba2 Sb2 Au2",
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{
"id": "mp-1187028",
"created_at": "2022-09-04T14:47:27.786962Z",
"structure_string": "Sm6 Lu2\n1.0\n3.627400 -6.282841 0.000000\n3.627400 6.282841 0.000000\n0.000000 0.000000 5.822352\nSm Lu\n6 2\ndirect\n0.167950 0.335899 0.250000 Sm\n0.664101 0.832050 0.250000 Sm\n0.167950 0.832050 0.250000 Sm\n0.832050 0.664101 0.750000 Sm\n0.335899 0.167950 0.750000 Sm\n0.832050 0.167950 0.750000 Sm\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n",
"nsites": 8,
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"volume": 265.3871993766698,
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"formula_full": "Sm6 Lu2",
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{
"id": "mp-1009696",
"created_at": "2022-09-04T14:42:55.868156Z",
"structure_string": "Rh1 C1\n1.0\n0.000000 2.300725 2.300725\n2.300725 0.000000 2.300725\n2.300726 2.300725 0.000000\nRh C\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 C\n",
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{
"id": "mp-19738",
"created_at": "2022-09-04T14:42:02.561623Z",
"structure_string": "Er4 Mn4 Si4\n1.0\n4.059844 0.000000 0.000000\n0.000000 6.899992 0.000000\n0.000000 0.000000 7.574846\nEr Mn Si\n4 4 4\ndirect\n0.250000 0.012117 0.814049 Er\n0.750000 0.987883 0.185951 Er\n0.250000 0.512117 0.685951 Er\n0.750000 0.487883 0.314049 Er\n0.750000 0.860576 0.559031 Mn\n0.250000 0.139424 0.440969 Mn\n0.750000 0.360576 0.940969 Mn\n0.250000 0.639424 0.059031 Mn\n0.250000 0.286429 0.111394 Si\n0.750000 0.713571 0.888606 Si\n0.250000 0.786429 0.388606 Si\n0.750000 0.213571 0.611394 Si\n",
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"formula_full": "Er4 Mn4 Si4",
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{
"id": "mp-1188521",
"created_at": "2022-09-04T14:48:25.088293Z",
"structure_string": "La10 Co2 Pb6\n1.0\n4.838182 -8.379977 0.000000\n4.838182 8.379977 0.000000\n0.000000 0.000000 7.188358\nLa Co Pb\n10 2 6\ndirect\n0.769255 0.769255 0.250000 La\n0.230745 0.000000 0.250000 La\n0.000000 0.230745 0.250000 La\n0.230745 0.230745 0.750000 La\n0.769255 0.000000 0.750000 La\n0.000000 0.769255 0.750000 La\n0.666667 0.333333 0.500000 La\n0.333333 0.666667 0.500000 La\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.000000 La\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.404444 0.404444 0.250000 Pb\n0.595556 0.000000 0.250000 Pb\n0.000000 0.595556 0.250000 Pb\n0.595556 0.595556 0.750000 Pb\n0.404444 0.000000 0.750000 Pb\n0.000000 0.404444 0.750000 Pb\n",
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{
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"structure_string": "La2 As2 Rh2\n1.0\n-2.108424 2.108424 7.550550\n2.108424 -2.108424 7.550550\n2.108424 2.108424 -7.550550\nLa As Rh\n2 2 2\ndirect\n0.750327 0.250327 0.500000 La\n0.000327 0.000327 0.000000 La\n0.330256 0.830256 0.500000 As\n0.580256 0.580256 0.000000 As\n0.165216 0.665216 0.500000 Rh\n0.415216 0.415216 0.000000 Rh\n",
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{
"id": "mp-1245744",
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"structure_string": "Si16 Pb16 N32\n1.0\n5.203968 0.000000 0.000000\n0.000000 11.196318 0.000000\n0.000000 0.000000 15.324254\nSi Pb N\n16 16 32\ndirect\n0.722274 0.992301 0.187451 Si\n0.222274 0.507699 0.812549 Si\n0.277726 0.492301 0.312549 Si\n0.777726 0.007699 0.687451 Si\n0.277726 0.007699 0.812549 Si\n0.777726 0.492301 0.187451 Si\n0.722274 0.507699 0.687451 Si\n0.222274 0.992301 0.312549 Si\n0.810850 0.251479 0.061707 Si\n0.310850 0.248521 0.938293 Si\n0.189150 0.751479 0.438293 Si\n0.689150 0.748521 0.561707 Si\n0.189150 0.748521 0.938293 Si\n0.689150 0.751479 0.061707 Si\n0.810850 0.248521 0.561707 Si\n0.310850 0.251479 0.438293 Si\n0.726914 0.972782 0.432616 Pb\n0.226914 0.527218 0.567384 Pb\n0.273086 0.472782 0.067384 Pb\n0.773086 0.027218 0.932616 Pb\n0.273086 0.027218 0.567384 Pb\n0.773086 0.472782 0.432616 Pb\n0.726914 0.527218 0.932616 Pb\n0.226914 0.972782 0.067384 Pb\n0.862726 0.226836 0.316179 Pb\n0.362726 0.273164 0.683821 Pb\n0.137274 0.726836 0.183821 Pb\n0.637274 0.773164 0.816179 Pb\n0.137274 0.773164 0.683821 Pb\n0.637274 0.726836 0.316179 Pb\n0.862726 0.273164 0.816179 Pb\n0.362726 0.226836 0.183821 Pb\n0.603424 0.484700 0.285117 N\n0.103424 0.015300 0.714883 N\n0.396576 0.984700 0.214883 N\n0.896576 0.515300 0.785117 N\n0.396576 0.515300 0.714883 N\n0.896576 0.984700 0.285117 N\n0.603424 0.015300 0.785117 N\n0.103424 0.484700 0.214883 N\n0.641159 0.267083 0.461649 N\n0.141159 0.232917 0.538351 N\n0.358841 0.767083 0.038351 N\n0.858841 0.732917 0.961649 N\n0.358841 0.732917 0.538351 N\n0.858841 0.767083 0.461649 N\n0.641159 0.232917 0.961649 N\n0.141159 0.267083 0.038351 N\n0.681913 0.376761 0.116650 N\n0.181913 0.123239 0.883350 N\n0.318087 0.876761 0.383350 N\n0.818087 0.623239 0.616650 N\n0.318087 0.623239 0.883350 N\n0.818087 0.876761 0.116650 N\n0.681913 0.123239 0.616650 N\n0.181913 0.376761 0.383350 N\n0.754875 0.129069 0.130542 N\n0.254875 0.370931 0.869458 N\n0.245125 0.629069 0.369458 N\n0.745125 0.870931 0.630542 N\n0.245125 0.870931 0.869458 N\n0.745125 0.629069 0.130542 N\n0.754875 0.370931 0.630542 N\n0.254875 0.129069 0.369458 N\n",
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{
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