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{
"id": "mp-1218191",
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"structure_string": "Sr2 La2 Co2 O8\n1.0\n2.716719 -6.301951 0.000000\n2.716719 6.301951 0.000000\n0.000000 0.000000 5.450274\nSr La Co O\n2 2 2 8\ndirect\n0.605977 0.394023 0.250000 Sr\n0.394023 0.605977 0.750000 Sr\n0.111873 0.888127 0.750000 La\n0.888127 0.111873 0.250000 La\n0.251021 0.748979 0.250000 Co\n0.748979 0.251021 0.750000 Co\n0.924888 0.075112 0.750000 O\n0.411899 0.588101 0.250000 O\n0.075112 0.924888 0.250000 O\n0.588101 0.411899 0.750000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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"spacegroup": 63
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{
"id": "mp-1218222",
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"structure_string": "Sr2 La2 Co2 Ru2 O12\n1.0\n5.659663 0.000000 0.000000\n0.000000 5.650658 0.000000\n0.000000 5.632004 7.942142\nSr La Co Ru O\n2 2 2 2 12\ndirect\n0.780557 0.755932 0.749412 Sr\n0.219443 0.755932 0.249412 Sr\n0.711244 0.237950 0.252024 La\n0.288756 0.237950 0.752024 La\n0.752747 0.000167 0.999981 Co\n0.247253 0.000167 0.499981 Co\n0.749986 0.500337 0.500115 Ru\n0.250014 0.500337 0.000115 Ru\n0.238739 0.661978 0.755081 O\n0.761261 0.661978 0.255081 O\n0.268935 0.319575 0.244858 O\n0.731065 0.319575 0.744858 O\n0.533306 0.191569 0.536375 O\n0.466694 0.191569 0.036375 O\n0.955996 0.823194 0.458637 O\n0.044004 0.823194 0.958637 O\n0.033209 0.255464 0.541481 O\n0.966791 0.255464 0.041481 O\n0.478246 0.753833 0.462037 O\n0.521754 0.753833 0.962037 O\n",
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"formula_full": "Sr2 La2 Co2 Ru2 O12",
"formula_reduced": "SrLaCoRuO6",
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"updated_at": "2021-11-28T01:34:42.059000Z",
"spacegroup": 7
},
{
"id": "mp-1218189",
"created_at": "2022-09-04T14:48:27.861881Z",
"structure_string": "Sr4 La4 Cr4 O16\n1.0\n-3.924123 -3.924069 0.000073\n0.000011 3.923825 12.470895\n-3.924113 3.924058 -0.000077\nSr La Cr O\n4 4 4 16\ndirect\n0.320883 0.642059 0.679123 Sr\n0.070827 0.142068 0.429174 Sr\n0.820888 0.642066 0.179115 Sr\n0.570830 0.142073 0.929169 Sr\n0.929651 0.859059 0.570350 La\n0.679637 0.359051 0.320362 La\n0.429657 0.859066 0.070344 La\n0.179632 0.359046 0.820365 La\n0.501190 0.002339 0.498821 Cr\n0.251175 0.502348 0.248813 Cr\n0.751165 0.502348 0.748826 Cr\n0.001197 0.002351 0.998816 Cr\n0.418159 0.836229 0.581837 O\n0.168193 0.336386 0.331812 O\n0.918162 0.836232 0.081836 O\n0.668196 0.336388 0.831807 O\n0.835299 0.670756 0.664701 O\n0.585750 0.171073 0.414252 O\n0.335299 0.670757 0.164702 O\n0.085747 0.171071 0.914254 O\n0.247259 0.994685 0.752750 O\n0.997368 0.494629 0.502623 O\n0.747249 0.994684 0.252757 O\n0.497362 0.494627 0.002631 O\n0.247244 0.994681 0.252758 O\n0.997381 0.494621 0.002632 O\n0.747234 0.994679 0.752749 O\n0.497368 0.494621 0.502623 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.923599077413953,
"density_atomic": 0.07290372455248123,
"volume": 384.0681689704842,
"volume_molar": 8.260402053484714,
"formula_full": "Sr4 La4 Cr4 O16",
"formula_reduced": "SrLaCrO4",
"formula_anonymous": "ABCD4",
"energy": -233.17115901,
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"updated_at": "2021-11-28T01:39:15.516000Z",
"spacegroup": 107
},
{
"id": "mp-1521441",
"created_at": "2022-09-04T14:47:58.371749Z",
"structure_string": "Sr1 La1 Cr1 Sn1 O6\n1.0\n0.000000 -4.021421 -4.021421\n4.021421 0.000000 -4.021421\n4.021421 -4.021421 0.000000\nSr La Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.753333 0.246667 0.246667 O\n0.246667 0.753333 0.753333 O\n0.753333 0.246667 0.753333 O\n0.246667 0.753333 0.246667 O\n0.753333 0.753333 0.246667 O\n0.246667 0.246667 0.753333 O\n",
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"elements": [
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],
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"density": 6.2969199730913195,
"density_atomic": 0.0768831873940888,
"volume": 130.06744828023162,
"volume_molar": 7.832844818375747,
"formula_full": "Sr1 La1 Cr1 Sn1 O6",
"formula_reduced": "SrLaCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -78.04246230999999,
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"updated_at": "2021-11-28T01:38:24.195000Z",
"spacegroup": 216
},
{
"id": "mp-1218202",
"created_at": "2022-09-04T14:45:43.280090Z",
"structure_string": "Sr1 La1 Cu1 O4\n1.0\n-1.934913 1.934913 6.283469\n1.934913 -1.934913 6.283469\n1.934913 1.934913 -6.283469\nSr La Cu O\n1 1 1 4\ndirect\n0.639618 0.639618 0.000000 Sr\n0.360233 0.360233 0.000000 La\n0.001915 0.001915 0.000000 Cu\n0.994443 0.494443 0.500000 O\n0.494443 0.994443 0.500000 O\n0.835497 0.835497 0.000000 O\n0.173851 0.173851 0.000000 O\n",
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],
"chemical_system": "Cu-La-O-Sr",
"density": 6.2481972964645465,
"density_atomic": 0.07439019324674408,
"volume": 94.09842473162789,
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"formula_full": "Sr1 La1 Cu1 O4",
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"energy": -48.95030842,
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"updated_at": "2021-11-28T01:37:18.884000Z",
"spacegroup": 107
},
{
"id": "mp-1173178",
"created_at": "2022-09-04T14:40:29.001191Z",
"structure_string": "Sr2 La2 Cu2 Ru2 O12\n1.0\n0.000000 -5.812422 0.000000\n-5.703432 0.000000 -0.009193\n-0.013200 0.000000 -7.708990\nSr La Cu Ru O\n2 2 2 2 12\ndirect\n0.466508 0.503006 0.751633 Sr\n0.033492 0.003006 0.251633 Sr\n0.945713 0.988357 0.753075 La\n0.554287 0.488357 0.253075 La\n0.485300 0.996049 0.002762 Cu\n0.014700 0.496049 0.502762 Cu\n0.490737 0.000064 0.500344 Ru\n0.009263 0.500064 0.000344 Ru\n0.018193 0.407620 0.750913 O\n0.526726 0.067787 0.750323 O\n0.973274 0.567787 0.250323 O\n0.481807 0.907620 0.250913 O\n0.197333 0.783759 0.955093 O\n0.704504 0.731269 0.536564 O\n0.761460 0.208524 0.456527 O\n0.289777 0.313564 0.042767 O\n0.795496 0.231269 0.036564 O\n0.302667 0.283759 0.455093 O\n0.210223 0.813564 0.542767 O\n0.738540 0.708524 0.956527 O\n",
"nsites": 20,
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"elements": [
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"volume": 255.55812292043535,
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"formula_full": "Sr2 La2 Cu2 Ru2 O12",
"formula_reduced": "SrLaCuRuO6",
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"spacegroup": 7
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{
"id": "mp-677659",
"created_at": "2022-09-04T14:40:03.354747Z",
"structure_string": "Sr7 La7 Cu7 Ru7 O42\n1.0\n5.562907 0.000000 0.000000\n2.678944 4.888215 0.000000\n2.281669 1.350873 32.318708\nSr La Cu Ru O\n7 7 7 7 42\ndirect\n0.676041 0.677678 0.968420 Sr\n0.394566 0.393202 0.820425 Sr\n0.110456 0.111716 0.680130 Sr\n0.034343 0.035614 0.893741 Sr\n0.826888 0.826027 0.536215 Sr\n0.542340 0.540623 0.393452 Sr\n0.252714 0.254884 0.251736 Sr\n0.755053 0.758612 0.751911 La\n0.474424 0.475250 0.607781 La\n0.187626 0.188010 0.465750 La\n0.973320 0.964506 0.101528 La\n0.902961 0.905375 0.323012 La\n0.614492 0.607972 0.179359 La\n0.314535 0.328477 0.033419 La\n0.009533 0.987487 0.000744 Cu\n0.082593 0.071362 0.787056 Cu\n0.795392 0.792688 0.643995 Cu\n0.507173 0.510211 0.501021 Cu\n0.224537 0.223510 0.358264 Cu\n0.932045 0.935811 0.214878 Cu\n0.647047 0.637964 0.070978 Cu\n0.713442 0.714493 0.857760 Ru\n0.431645 0.432651 0.714203 Ru\n0.358334 0.356758 0.928514 Ru\n0.861660 0.860450 0.428927 Ru\n0.146890 0.146762 0.572224 Ru\n0.573683 0.577208 0.285700 Ru\n0.290083 0.285175 0.143348 Ru\n0.173692 0.710667 0.954576 O\n0.592764 0.477858 0.893019 O\n0.077669 0.513156 0.884669 O\n0.623371 0.208613 0.972909 O\n0.860982 0.454448 0.812684 O\n0.129792 0.245509 0.964507 O\n0.330090 0.172164 0.747369 O\n0.557112 0.994029 0.902082 O\n0.777640 0.239460 0.741716 O\n0.358667 0.898021 0.832370 O\n0.569308 0.174401 0.667679 O\n0.825374 0.945649 0.822119 O\n0.045228 0.883389 0.604598 O\n0.262042 0.702374 0.757140 O\n0.500554 0.942024 0.597710 O\n0.052610 0.616457 0.691490 O\n0.282513 0.886001 0.525350 O\n0.537100 0.663716 0.677860 O\n0.760869 0.598828 0.461594 O\n0.977725 0.411201 0.615268 O\n0.213482 0.657725 0.454719 O\n0.773112 0.327757 0.547952 O\n0.996627 0.601473 0.382121 O\n0.254925 0.372604 0.535371 O\n0.471715 0.314056 0.318313 O\n0.693477 0.127440 0.471802 O\n0.922072 0.374463 0.312299 O\n0.485613 0.041130 0.405480 O\n0.709922 0.310743 0.239100 O\n0.967238 0.088092 0.391968 O\n0.194119 0.025390 0.174836 O\n0.407034 0.843189 0.328681 O\n0.662716 0.088539 0.164344 O\n0.195830 0.757661 0.262528 O\n0.428368 0.034442 0.095710 O\n0.677083 0.798498 0.247326 O\n0.883618 0.761547 0.037938 O\n0.135997 0.546909 0.187019 O\n0.349540 0.799450 0.030940 O\n0.916175 0.473517 0.118926 O\n0.386908 0.536284 0.108423 O\n0.845515 0.280650 0.043008 O\n",
"nsites": 70,
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"density": 6.44307134996113,
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"volume": 878.8324605036919,
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"formula_full": "Sr7 La7 Cu7 Ru7 O42",
"formula_reduced": "SrLaCuRuO6",
"formula_anonymous": "ABCDE6",
"energy": -510.87504793,
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"spacegroup": 1
},
{
"id": "mp-1218223",
"created_at": "2022-09-04T14:39:11.121570Z",
"structure_string": "Sr4 La4 Cu4 S12\n1.0\n4.136983 0.000000 0.000000\n0.000000 11.230635 0.000000\n0.000000 0.000000 11.653177\nSr La Cu S\n4 4 4 12\ndirect\n0.250000 0.318665 0.007670 Sr\n0.250000 0.818665 0.492330 Sr\n0.750000 0.681335 0.992330 Sr\n0.750000 0.181335 0.507670 Sr\n0.250000 0.489735 0.683139 La\n0.250000 0.989735 0.816861 La\n0.750000 0.510265 0.316861 La\n0.750000 0.010265 0.183139 La\n0.250000 0.244753 0.288353 Cu\n0.250000 0.744753 0.211647 Cu\n0.750000 0.755247 0.711647 Cu\n0.750000 0.255247 0.788353 Cu\n0.250000 0.223560 0.695693 S\n0.250000 0.723560 0.804307 S\n0.750000 0.776440 0.304307 S\n0.750000 0.276440 0.195693 S\n0.250000 0.050825 0.358799 S\n0.250000 0.550825 0.141201 S\n0.750000 0.949175 0.641201 S\n0.750000 0.449175 0.858799 S\n0.250000 0.383760 0.441326 S\n0.250000 0.883760 0.058674 S\n0.750000 0.616240 0.558674 S\n0.750000 0.116240 0.941326 S\n",
"nsites": 24,
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"density": 4.73874901854795,
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"volume": 541.4176281901659,
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"formula_full": "Sr4 La4 Cu4 S12",
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{
"id": "mp-1218225",
"created_at": "2022-09-04T14:43:08.174257Z",
"structure_string": "Sr2 La2 Cu2 Sb2 O12\n1.0\n5.563859 0.000000 0.000000\n0.000000 5.516929 0.000000\n0.000000 5.373125 8.653758\nSr La Cu Sb O\n2 2 2 2 12\ndirect\n0.781566 0.765706 0.748115 Sr\n0.218434 0.765706 0.248115 Sr\n0.710058 0.225253 0.253888 La\n0.289942 0.225253 0.753888 La\n0.752647 0.004920 0.997848 Cu\n0.247353 0.004920 0.497848 Cu\n0.750661 0.499146 0.500366 Sb\n0.249339 0.499146 0.000366 Sb\n0.236812 0.629494 0.777548 O\n0.763188 0.629494 0.277548 O\n0.271997 0.346546 0.224789 O\n0.728003 0.346546 0.724789 O\n0.527776 0.173947 0.544484 O\n0.472224 0.173947 0.044484 O\n0.959502 0.839146 0.452550 O\n0.040498 0.839146 0.952550 O\n0.042238 0.243527 0.550644 O\n0.957762 0.243527 0.050644 O\n0.470941 0.772317 0.449767 O\n0.529059 0.772317 0.949767 O\n",
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"volume": 265.6306937167745,
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"formula_full": "Sr2 La2 Cu2 Sb2 O12",
"formula_reduced": "SrLaCuSbO6",
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{
"id": "mp-1218227",
"created_at": "2022-09-04T14:43:00.438585Z",
"structure_string": "Sr4 La4 Cu4 Se12\n1.0\n4.295688 0.000000 0.000000\n0.000000 8.565725 0.000000\n0.000000 0.000000 16.613808\nSr La Cu Se\n4 4 4 12\ndirect\n0.250000 0.090681 0.215551 Sr\n0.250000 0.590681 0.284449 Sr\n0.750000 0.909319 0.784449 Sr\n0.750000 0.409319 0.715551 Sr\n0.250000 0.258367 0.959792 La\n0.250000 0.758367 0.540208 La\n0.750000 0.741633 0.040208 La\n0.750000 0.241633 0.459792 La\n0.250000 0.121976 0.634202 Cu\n0.250000 0.621976 0.865798 Cu\n0.750000 0.878024 0.365798 Cu\n0.750000 0.378024 0.134202 Cu\n0.250000 0.377247 0.563839 Se\n0.250000 0.877247 0.936161 Se\n0.750000 0.622753 0.436161 Se\n0.750000 0.122753 0.063839 Se\n0.250000 0.178121 0.781237 Se\n0.250000 0.678121 0.718763 Se\n0.750000 0.821879 0.218763 Se\n0.750000 0.321879 0.281237 Se\n0.250000 0.008348 0.403185 Se\n0.250000 0.508348 0.096815 Se\n0.750000 0.991652 0.596815 Se\n0.750000 0.491652 0.903185 Se\n",
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"elements": [
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],
"chemical_system": "Cu-La-Se-Sr",
"density": 5.725503229849695,
"density_atomic": 0.03925953908116621,
"volume": 611.3163975354312,
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"formula_full": "Sr4 La4 Cu4 Se12",
"formula_reduced": "SrLaCuSe3",
"formula_anonymous": "ABCD3",
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"updated_at": "2021-11-28T01:36:02.499000Z",
"spacegroup": 62
},
{
"id": "mp-1208670",
"created_at": "2022-09-04T14:44:19.871459Z",
"structure_string": "Sr4 La4 Cu4 Se12\n1.0\n0.000000 -4.188788 0.000000\n-8.618061 0.000000 0.000000\n0.000000 0.000000 -16.935518\nSr La Cu Se\n4 4 4 12\ndirect\n0.750000 0.738499 0.965153 Sr\n0.250000 0.261501 0.034847 Sr\n0.250000 0.761501 0.465153 Sr\n0.750000 0.238499 0.534847 Sr\n0.750000 0.906494 0.213402 La\n0.250000 0.093506 0.786598 La\n0.250000 0.593506 0.713402 La\n0.750000 0.406494 0.286598 La\n0.750000 0.877516 0.634713 Cu\n0.250000 0.122484 0.365287 Cu\n0.250000 0.622484 0.134713 Cu\n0.750000 0.377516 0.865287 Cu\n0.750000 0.820557 0.779270 Se\n0.250000 0.179443 0.220730 Se\n0.250000 0.679443 0.279270 Se\n0.750000 0.320557 0.720730 Se\n0.750000 0.986319 0.392966 Se\n0.250000 0.013681 0.607034 Se\n0.250000 0.513681 0.892966 Se\n0.750000 0.486319 0.107034 Se\n0.750000 0.614299 0.578597 Se\n0.250000 0.385701 0.421403 Se\n0.250000 0.885701 0.078597 Se\n0.750000 0.114299 0.921403 Se\n",
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"volume": 611.3591679200506,
"volume_molar": 15.34037901721259,
"formula_full": "Sr4 La4 Cu4 Se12",
"formula_reduced": "SrLaCuSe3",
"formula_anonymous": "ABCD3",
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"updated_at": "2021-11-28T01:36:35.746000Z",
"spacegroup": 62
},
{
"id": "mp-1521837",
"created_at": "2022-09-04T14:43:36.612424Z",
"structure_string": "Sr1 La1 Dy1 Sn1 O6\n1.0\n0.000000 -4.221837 -4.221837\n4.221837 0.000000 -4.221837\n4.221837 -4.221837 0.000000\nSr La Dy Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sn\n0.742075 0.257925 0.257925 O\n0.257925 0.742075 0.742075 O\n0.742075 0.257925 0.742075 O\n0.257925 0.742075 0.257925 O\n0.742075 0.742075 0.257925 O\n0.257925 0.257925 0.742075 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Dy-La-O-Sn-Sr",
"density": 6.661297326699111,
"density_atomic": 0.06644550694243907,
"volume": 150.49926564128523,
"volume_molar": 9.063277619684513,
"formula_full": "Sr1 La1 Dy1 Sn1 O6",
"formula_reduced": "SrLaDySnO6",
"formula_anonymous": "ABCDE6",
"energy": -75.94676338,
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"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:36:22.568000Z",
"spacegroup": 216
}
]
}