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{
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{
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"structure_string": "Sr1 La3 Ti2 Co2 O12\n1.0\n5.563024 0.000000 0.000000\n0.000000 5.563024 0.000000\n0.000000 0.000000 7.878636\nSr La Ti Co O\n1 3 2 2 12\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.500000 La\n0.000000 0.500000 0.751509 Ti\n0.500000 0.000000 0.248491 Ti\n0.500000 0.000000 0.749187 Co\n0.000000 0.500000 0.250813 Co\n0.244502 0.752518 0.742957 O\n0.755498 0.247482 0.742957 O\n0.247482 0.755498 0.257043 O\n0.752518 0.244502 0.257043 O\n0.244502 0.247482 0.742957 O\n0.755498 0.752518 0.742957 O\n0.247482 0.244502 0.257043 O\n0.752518 0.755498 0.257043 O\n0.500000 0.000000 0.997576 O\n0.000000 0.500000 0.002424 O\n0.500000 0.000000 0.500402 O\n0.000000 0.500000 0.499598 O\n",
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"formula_full": "Sr1 La3 Ti2 Co2 O12",
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"spacegroup": 115
},
{
"id": "mp-1650920",
"created_at": "2022-09-04T14:41:52.213718Z",
"structure_string": "Sr1 La4 Cr5 O15\n1.0\n3.916618 0.000266 3.939942\n-3.913711 3.904813 3.936755\n-3.914163 -7.807136 -0.003079\nSr La Cr O\n1 4 5 15\ndirect\n0.401688 0.099177 0.802732 Sr\n0.002573 0.511680 0.000362 La\n0.802564 0.693245 0.603065 La\n0.596763 0.894406 0.197552 La\n0.196687 0.304630 0.393784 La\n0.600031 0.398310 0.199824 Cr\n0.200255 0.803229 0.401639 Cr\n0.400326 0.598149 0.798726 Cr\n0.799830 0.198075 0.599989 Cr\n0.000074 0.001823 0.000104 Cr\n0.896749 0.101023 0.793315 O\n0.900010 0.601422 0.302548 O\n0.398744 0.599534 0.301602 O\n0.705120 0.307182 0.409351 O\n0.096271 0.890814 0.194953 O\n0.297111 0.693815 0.596541 O\n0.502879 0.506490 0.004214 O\n0.088215 0.405392 0.698136 O\n0.708579 0.790434 0.898520 O\n0.609290 0.400934 0.696279 O\n0.196342 0.792923 0.901127 O\n0.301633 0.198460 0.110746 O\n0.502099 0.004010 0.490636 O\n0.986411 0.006277 0.493080 O\n0.809756 0.198565 0.111177 O\n",
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{
"id": "mp-1218283",
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"structure_string": "Sr1 La4 Cr5 O15\n1.0\n2.771681 8.292903 0.000000\n-2.771681 8.292903 0.000000\n0.000000 1.832767 6.527290\nSr La Cr O\n1 4 5 15\ndirect\n0.000000 0.000000 0.000000 Sr\n0.401471 0.401471 0.398685 La\n0.800449 0.800449 0.799699 La\n0.199551 0.199551 0.200301 La\n0.598529 0.598529 0.601315 La\n0.599742 0.599742 0.099071 Cr\n0.000000 0.000000 0.500000 Cr\n0.400258 0.400258 0.900929 Cr\n0.800126 0.800126 0.299101 Cr\n0.199874 0.199874 0.700899 Cr\n0.307107 0.795218 0.306656 O\n0.692893 0.204782 0.693344 O\n0.101474 0.590900 0.101501 O\n0.500000 0.000000 0.500000 O\n0.898526 0.409100 0.898499 O\n0.699506 0.699506 0.201495 O\n0.102295 0.102295 0.591614 O\n0.500000 0.500000 0.000000 O\n0.897705 0.897705 0.408386 O\n0.300494 0.300494 0.798505 O\n0.409100 0.898526 0.898499 O\n0.795218 0.307107 0.306656 O\n0.204782 0.692893 0.693344 O\n0.590900 0.101474 0.101501 O\n0.000000 0.500000 0.500000 O\n",
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"elements": [
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"density_atomic": 0.08331578188815349,
"volume": 300.06319851335036,
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"formula_full": "Sr1 La4 Cr5 O15",
"formula_reduced": "SrLa4Cr5O15",
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"updated_at": "2021-11-28T01:35:54.112000Z",
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},
{
"id": "mp-1209217",
"created_at": "2022-09-04T14:42:26.061158Z",
"structure_string": "Sr2 La8 Mn6 Cu4 O36\n1.0\n0.000000 0.000000 -5.310541\n0.000000 -11.400039 0.000000\n-14.202643 0.000000 0.000000\nSr La Mn Cu O\n2 8 6 4 36\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.206276 0.761201 0.872874 La\n0.793724 0.238799 0.127126 La\n0.706276 0.238799 0.627126 La\n0.293724 0.761201 0.627126 La\n0.293724 0.761201 0.372874 La\n0.706276 0.238799 0.372874 La\n0.793724 0.238799 0.872874 La\n0.206276 0.761201 0.127126 La\n0.750000 0.993294 0.750000 Mn\n0.250000 0.006706 0.250000 Mn\n0.250000 0.006706 0.750000 Mn\n0.750000 0.993294 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.750000 0.571360 0.750000 Cu\n0.250000 0.428640 0.250000 Cu\n0.250000 0.428640 0.750000 Cu\n0.750000 0.571360 0.250000 Cu\n0.750000 0.407953 0.750000 O\n0.250000 0.592047 0.250000 O\n0.250000 0.592047 0.750000 O\n0.750000 0.407953 0.250000 O\n0.663539 0.646850 0.856589 O\n0.336461 0.353150 0.143411 O\n0.163539 0.353150 0.643411 O\n0.836461 0.646850 0.643411 O\n0.836461 0.646850 0.356589 O\n0.163539 0.353150 0.356589 O\n0.336461 0.353150 0.856589 O\n0.663539 0.646850 0.143411 O\n0.492882 0.881410 0.754082 O\n0.507118 0.118590 0.245918 O\n0.992882 0.118590 0.745918 O\n0.007118 0.881410 0.745918 O\n0.007118 0.881410 0.254082 O\n0.992882 0.118590 0.254082 O\n0.507118 0.118590 0.754082 O\n0.492882 0.881410 0.245918 O\n0.990758 0.836088 0.000000 O\n0.009242 0.163912 0.000000 O\n0.490758 0.163912 0.500000 O\n0.509242 0.836088 0.500000 O\n0.239598 0.984748 0.889960 O\n0.760402 0.015252 0.110040 O\n0.739598 0.015252 0.610040 O\n0.260402 0.984748 0.610040 O\n0.260402 0.984748 0.389960 O\n0.739598 0.015252 0.389960 O\n0.760402 0.015252 0.889960 O\n0.239598 0.984748 0.110040 O\n0.790793 0.356408 0.000000 O\n0.209207 0.643592 0.000000 O\n0.290793 0.643592 0.500000 O\n0.709207 0.356408 0.500000 O\n",
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],
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"density_atomic": 0.06512890148500945,
"volume": 859.8333262674386,
"volume_molar": 9.246495215931285,
"formula_full": "Sr2 La8 Mn6 Cu4 O36",
"formula_reduced": "SrLa4Mn3(CuO9)2",
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{
"id": "mp-1218249",
"created_at": "2022-09-04T14:42:03.798017Z",
"structure_string": "Sr2 La8 Si6 O26\n1.0\n4.884216 -8.459711 0.000000\n4.884216 8.459711 0.000000\n0.000000 0.000000 7.273465\nSr La Si O\n2 8 6 26\ndirect\n0.333333 0.666667 0.499850 Sr\n0.666667 0.333333 0.999850 Sr\n0.666667 0.333333 0.499979 La\n0.333333 0.666667 0.999979 La\n0.232287 0.988768 0.250468 La\n0.756481 0.767713 0.250468 La\n0.011232 0.243519 0.250468 La\n0.767713 0.011232 0.750468 La\n0.243519 0.232287 0.750468 La\n0.988768 0.756481 0.750468 La\n0.970637 0.600386 0.248873 Si\n0.629749 0.029363 0.248873 Si\n0.399614 0.370251 0.248873 Si\n0.029363 0.399614 0.748873 Si\n0.370251 0.970637 0.748873 Si\n0.600386 0.629749 0.748873 Si\n0.162642 0.678766 0.244724 O\n0.516123 0.837358 0.244724 O\n0.321234 0.483877 0.244724 O\n0.837358 0.321234 0.744724 O\n0.483877 0.162642 0.744724 O\n0.678766 0.516123 0.744724 O\n0.910408 0.657864 0.431146 O\n0.747457 0.089592 0.431146 O\n0.342136 0.252543 0.431146 O\n0.089592 0.342136 0.931146 O\n0.252543 0.910408 0.931146 O\n0.657864 0.747457 0.931146 O\n0.088076 0.338415 0.569678 O\n0.250339 0.911924 0.569678 O\n0.661585 0.749661 0.569678 O\n0.911924 0.661585 0.069678 O\n0.749661 0.088076 0.069678 O\n0.338415 0.250339 0.069678 O\n0.877033 0.406026 0.254934 O\n0.528993 0.122967 0.254934 O\n0.593974 0.471007 0.254934 O\n0.122967 0.593974 0.754934 O\n0.471007 0.877033 0.754934 O\n0.406026 0.528993 0.754934 O\n0.000000 0.000000 0.250686 O\n0.000000 0.000000 0.750686 O\n",
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},
{
"id": "mp-1218229",
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"structure_string": "Sr1 La4 Ti1 Al4 O15\n1.0\n2.710347 -13.579243 0.000000\n2.710347 13.579243 0.000000\n0.000000 0.000000 3.851629\nSr La Ti Al O\n1 4 1 4 15\ndirect\n0.000000 0.000000 0.000000 Sr\n0.602194 0.397806 0.000000 La\n0.199771 0.800229 0.000000 La\n0.800229 0.199771 0.000000 La\n0.397806 0.602194 0.000000 La\n0.500000 0.500000 0.500000 Ti\n0.100823 0.899177 0.500000 Al\n0.700478 0.299522 0.500000 Al\n0.299522 0.700478 0.500000 Al\n0.899177 0.100823 0.500000 Al\n0.100544 0.401621 0.500000 O\n0.899456 0.598379 0.500000 O\n0.500000 0.000000 0.500000 O\n0.695499 0.799918 0.500000 O\n0.304501 0.200082 0.500000 O\n0.200082 0.304501 0.500000 O\n0.000000 0.500000 0.500000 O\n0.598379 0.899456 0.500000 O\n0.799918 0.695499 0.500000 O\n0.401621 0.100544 0.500000 O\n0.897853 0.102147 0.000000 O\n0.699857 0.300143 0.000000 O\n0.300143 0.699857 0.000000 O\n0.500000 0.500000 0.000000 O\n0.102147 0.897853 0.000000 O\n",
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{
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"formula_full": "Sr2 La8 Ti2 Al8 O30",
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