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{
"id": "mp-1208863",
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"structure_string": "Sr4 Y2 Cu4 Bi4 O16\n1.0\n2.752943 -15.353169 0.000000\n2.752943 15.353169 0.000000\n0.000000 0.000000 5.350205\nSr Y Cu Bi O\n4 2 4 4 16\ndirect\n0.613607 0.890122 0.000000 Sr\n0.386393 0.109878 0.000000 Sr\n0.109878 0.386393 0.500000 Sr\n0.890122 0.613607 0.500000 Sr\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.050987 0.449111 0.000000 Cu\n0.949013 0.550889 0.000000 Cu\n0.550889 0.949013 0.500000 Cu\n0.449111 0.050987 0.500000 Cu\n0.223805 0.319927 0.000000 Bi\n0.776195 0.680073 0.000000 Bi\n0.680073 0.776195 0.500000 Bi\n0.319927 0.223805 0.500000 Bi\n0.121894 0.354304 0.000000 O\n0.878106 0.645696 0.000000 O\n0.645696 0.878106 0.500000 O\n0.354304 0.121894 0.500000 O\n0.701492 0.298508 0.250000 O\n0.298508 0.701492 0.750000 O\n0.298508 0.701492 0.250000 O\n0.701492 0.298508 0.750000 O\n0.613966 0.715322 0.000000 O\n0.386034 0.284678 0.000000 O\n0.284678 0.386034 0.500000 O\n0.715322 0.613966 0.500000 O\n0.798183 0.201817 0.250000 O\n0.201817 0.798183 0.750000 O\n0.201817 0.798183 0.250000 O\n0.798183 0.201817 0.750000 O\n",
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{
"id": "mp-1043436",
"created_at": "2022-09-04T14:46:55.760150Z",
"structure_string": "Sr4 Y2 Cu4 Mo2 O14\n1.0\n11.852998 3.880271 0.000000\n-11.852998 3.880271 0.000000\n0.000000 3.878921 3.959752\nSr Y Cu Mo O\n4 2 4 2 14\ndirect\n0.386075 0.168467 0.984063 Sr\n0.629782 0.841459 0.027209 Sr\n0.841459 0.629782 0.027209 Sr\n0.168466 0.386075 0.984063 Sr\n0.995250 0.497719 0.019538 Y\n0.497719 0.995250 0.019538 Y\n0.435765 0.060452 0.517822 Cu\n0.566770 0.940320 0.512217 Cu\n0.940320 0.566770 0.512217 Cu\n0.060452 0.435765 0.517822 Cu\n0.853639 0.853639 0.434317 Mo\n0.159644 0.159644 0.535482 Mo\n0.210518 0.210518 0.104375 O\n0.874178 0.874178 0.037063 O\n0.673010 0.294371 0.016030 O\n0.335114 0.706079 0.475084 O\n0.706079 0.335114 0.475084 O\n0.294371 0.673010 0.016030 O\n0.204938 0.833573 0.014894 O\n0.792407 0.168681 0.555455 O\n0.168681 0.792407 0.555455 O\n0.833573 0.204938 0.014894 O\n0.785395 0.636680 0.591501 O\n0.186805 0.336531 0.477584 O\n0.336531 0.186805 0.477584 O\n0.636680 0.785395 0.591501 O\n",
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"density": 5.463155315989688,
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"formula_full": "Sr4 Y2 Cu4 Mo2 O14",
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"updated_at": "2021-11-28T01:37:45.774000Z",
"spacegroup": 8
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{
"id": "mp-1042702",
"created_at": "2022-09-04T14:47:15.392589Z",
"structure_string": "Sr4 Y2 Cu4 Ni2 O14\n1.0\n-2.712889 2.758960 11.550920\n2.712889 -2.758960 11.550920\n2.712889 2.758960 -11.550920\nSr Y Cu Ni O\n4 2 4 2 14\ndirect\n0.663563 0.664595 0.022963 Sr\n0.336437 0.359399 0.001032 Sr\n0.141633 0.164595 0.001032 Sr\n0.858367 0.859399 0.022963 Sr\n0.000000 0.009976 0.009976 Y\n0.500000 0.509976 0.009976 Y\n0.570743 0.084116 0.509948 Cu\n0.429257 0.939205 0.513373 Cu\n0.074168 0.584116 0.513373 Cu\n0.925832 0.439205 0.509948 Cu\n0.320241 0.722246 0.542488 Ni\n0.679759 0.222246 0.402005 Ni\n0.634376 0.869692 0.004067 O\n0.365624 0.369692 0.235316 O\n0.805329 0.818512 0.500575 O\n0.194671 0.695246 0.013183 O\n0.817937 0.318512 0.013183 O\n0.182063 0.195246 0.500575 O\n0.317708 0.329510 0.519007 O\n0.682292 0.201299 0.011803 O\n0.310503 0.829510 0.011803 O\n0.689497 0.701299 0.519007 O\n0.133772 0.708999 0.491664 O\n0.866228 0.357893 0.575227 O\n0.717335 0.208999 0.575227 O\n0.282665 0.857893 0.491664 O\n",
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"formula_full": "Sr4 Y2 Cu4 Ni2 O14",
"formula_reduced": "Sr2YCu2NiO7",
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"energy": -173.97120887,
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"updated_at": "2021-11-28T01:38:03.223000Z",
"spacegroup": 46
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{
"id": "mp-1046275",
"created_at": "2022-09-04T14:39:43.382966Z",
"structure_string": "Sr4 Y2 Cu4 Sb2 O14\n1.0\n-2.712814 2.728244 12.329042\n2.712814 -2.728244 12.329042\n2.712814 2.728244 -12.329042\nSr Y Cu Sb O\n4 2 4 2 14\ndirect\n0.635408 0.660664 0.012174 Sr\n0.364592 0.376766 0.025255 Sr\n0.148490 0.160664 0.025255 Sr\n0.851510 0.876766 0.012174 Sr\n0.000000 0.014781 0.014781 Y\n0.500000 0.514781 0.014781 Y\n0.566793 0.081718 0.515808 Cu\n0.433207 0.949016 0.514925 Cu\n0.065909 0.581718 0.514925 Cu\n0.934091 0.449016 0.515808 Cu\n0.257633 0.740616 0.498249 Sb\n0.742367 0.240616 0.482984 Sb\n0.614169 0.881068 0.995237 O\n0.385831 0.381068 0.266898 O\n0.804641 0.819398 0.504718 O\n0.195359 0.700076 0.014757 O\n0.814680 0.319398 0.014757 O\n0.185320 0.200076 0.504718 O\n0.314392 0.330224 0.525161 O\n0.685608 0.210769 0.015832 O\n0.305063 0.830224 0.015832 O\n0.694937 0.710769 0.525161 O\n0.174949 0.676743 0.524530 O\n0.825051 0.349581 0.501794 O\n0.652213 0.176743 0.501794 O\n0.347787 0.849581 0.524530 O\n",
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"elements": [
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"formula_full": "Sr4 Y2 Cu4 Sb2 O14",
"formula_reduced": "Sr2YCu2SbO7",
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"energy": -174.93367204,
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"updated_at": "2021-11-28T01:34:28.306000Z",
"spacegroup": 46
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{
"id": "mp-1046186",
"created_at": "2022-09-04T14:45:00.969857Z",
"structure_string": "Sr4 Y2 Cu4 Sn2 O14\n1.0\n-2.740201 2.765748 12.060146\n2.740201 -2.765748 12.060146\n2.740201 2.765748 -12.060146\nSr Y Cu Sn O\n4 2 4 2 14\ndirect\n0.631865 0.625309 0.976361 Sr\n0.368135 0.344497 0.993444 Sr\n0.148948 0.125309 0.993444 Sr\n0.851052 0.844497 0.976361 Sr\n0.000000 0.986982 0.986982 Y\n0.500000 0.486982 0.986982 Y\n0.566395 0.049759 0.487503 Cu\n0.433605 0.921108 0.483364 Cu\n0.062256 0.549759 0.483364 Cu\n0.937744 0.421108 0.487503 Cu\n0.211450 0.766511 0.477960 Sn\n0.788550 0.266511 0.555061 Sn\n0.853688 0.643294 0.996983 O\n0.146312 0.143294 0.789606 O\n0.320135 0.303318 0.503114 O\n0.679865 0.182979 0.983183 O\n0.300204 0.803318 0.983183 O\n0.699796 0.682979 0.503114 O\n0.805433 0.789905 0.471139 O\n0.194567 0.665706 0.984472 O\n0.818765 0.289905 0.984472 O\n0.181235 0.165706 0.471139 O\n0.204779 0.629964 0.496581 O\n0.795221 0.291802 0.425185 O\n0.633383 0.129964 0.425185 O\n0.366617 0.791802 0.496581 O\n",
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"formula_full": "Sr4 Y2 Cu4 Sn2 O14",
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"spacegroup": 46
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{
"id": "mp-1046177",
"created_at": "2022-09-04T14:48:07.410067Z",
"structure_string": "Sr4 Y2 Cu6 O14\n1.0\n-2.710585 2.725507 11.611017\n2.710585 -2.725507 11.611017\n2.710585 2.725507 -11.611017\nSr Y Cu O\n4 2 6 14\ndirect\n0.666812 0.154182 0.514786 Sr\n0.360604 0.845818 0.512630 Sr\n0.166812 0.652026 0.512630 Sr\n0.860604 0.347974 0.514786 Sr\n0.011323 0.500000 0.511323 Y\n0.511323 0.000000 0.511323 Y\n0.734569 0.803422 0.037990 Cu\n0.234569 0.196578 0.931147 Cu\n0.086104 0.074393 0.012194 Cu\n0.937800 0.925607 0.011711 Cu\n0.586104 0.573910 0.011711 Cu\n0.437800 0.426090 0.012194 Cu\n0.897599 0.130232 0.527831 O\n0.397599 0.869768 0.767367 O\n0.820518 0.308510 0.003830 O\n0.695320 0.691490 0.512008 O\n0.320518 0.316688 0.512008 O\n0.195320 0.683312 0.003830 O\n0.326790 0.815865 0.017165 O\n0.201300 0.184135 0.510925 O\n0.826790 0.809626 0.510925 O\n0.701300 0.190374 0.017165 O\n0.683750 0.662413 0.005431 O\n0.343018 0.337587 0.021336 O\n0.183750 0.178319 0.021336 O\n0.843018 0.821681 0.005431 O\n",
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"formula_full": "Sr4 Y2 Cu6 O14",
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{
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"created_at": "2022-09-04T14:46:23.447729Z",
"structure_string": "Sr4 Y2 Cu6 Pb4 O16\n1.0\n5.437278 0.000000 0.000000\n0.000000 5.482904 0.000000\n0.000000 0.000000 15.964402\nSr Y Cu Pb O\n4 2 6 4 16\ndirect\n0.249729 0.498931 0.221102 Sr\n0.750271 0.001069 0.221102 Sr\n0.750271 0.998931 0.778898 Sr\n0.249729 0.501069 0.778898 Sr\n0.749863 0.000000 0.000000 Y\n0.250137 0.500000 0.000000 Y\n0.235009 0.500000 0.500000 Cu\n0.764991 0.000000 0.500000 Cu\n0.749857 0.500417 0.105037 Cu\n0.250143 0.999583 0.105037 Cu\n0.250143 0.000417 0.894963 Cu\n0.749857 0.499583 0.894963 Cu\n0.242949 0.008865 0.388487 Pb\n0.757051 0.491135 0.388487 Pb\n0.757051 0.508865 0.611513 Pb\n0.242949 0.991135 0.611513 Pb\n0.746671 0.507831 0.251525 O\n0.253329 0.992169 0.251525 O\n0.253329 0.007831 0.748475 O\n0.746671 0.492169 0.748475 O\n0.223530 0.443615 0.384466 O\n0.776470 0.056385 0.384466 O\n0.776470 0.943615 0.615534 O\n0.223530 0.556385 0.615534 O\n0.500000 0.750000 0.091293 O\n0.500000 0.250000 0.908707 O\n0.000000 0.250000 0.092645 O\n0.000000 0.750000 0.907355 O\n0.500000 0.250000 0.092431 O\n0.500000 0.750000 0.907569 O\n0.000000 0.750000 0.091773 O\n0.000000 0.250000 0.908227 O\n",
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"volume": 475.93192253982556,
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"formula_full": "Sr4 Y2 Cu6 Pb4 O16",
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"spacegroup": 17
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{
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"structure_string": "Sr4 Y2 Cu6 Pb4 O16\n1.0\n5.336293 0.000000 0.000000\n0.000000 5.360179 0.000000\n0.000000 0.000000 15.485419\nSr Y Cu Pb O\n4 2 6 4 16\ndirect\n0.995718 0.749240 0.221243 Sr\n0.495718 0.250760 0.221243 Sr\n0.995718 0.749240 0.778757 Sr\n0.495718 0.250760 0.778757 Sr\n0.999789 0.750017 0.000000 Y\n0.499789 0.249983 0.000000 Y\n0.499227 0.750005 0.104101 Cu\n0.999227 0.249995 0.104101 Cu\n0.999227 0.249995 0.895899 Cu\n0.499227 0.750005 0.895899 Cu\n0.974744 0.726099 0.500000 Cu\n0.474744 0.273901 0.500000 Cu\n0.496111 0.748856 0.610685 Pb\n0.496111 0.748856 0.389315 Pb\n0.996111 0.251144 0.389315 Pb\n0.996111 0.251144 0.610685 Pb\n0.249587 0.000006 0.092526 O\n0.493638 0.756955 0.249645 O\n0.460627 0.295494 0.618814 O\n0.960627 0.704506 0.381186 O\n0.960627 0.704506 0.618814 O\n0.460627 0.295494 0.381186 O\n0.249496 0.499617 0.093242 O\n0.749496 0.500383 0.093242 O\n0.993638 0.243045 0.750355 O\n0.749587 0.999994 0.907474 O\n0.749587 0.999994 0.092526 O\n0.749496 0.500383 0.906758 O\n0.993638 0.243045 0.249645 O\n0.493638 0.756955 0.750355 O\n0.249587 0.000006 0.907474 O\n0.249496 0.499617 0.906758 O\n",
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"spacegroup": 26
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{
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