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{
"id": "mp-1308812",
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"structure_string": "Sr2 La4 Co6 O18\n1.0\n3.862849 0.012661 3.862073\n-0.026169 3.957605 3.900096\n-7.888785 -7.921285 7.864003\nSr La Co O\n2 4 6 18\ndirect\n0.320557 0.336584 0.418218 Sr\n0.346057 0.330517 0.914933 Sr\n0.682419 0.650715 0.082234 La\n0.665066 0.657059 0.584412 La\n0.983263 0.016290 0.251929 La\n0.002514 0.008056 0.747711 La\n0.333560 0.332776 0.166658 Co\n0.669689 0.667850 0.839062 Co\n0.996755 0.999176 0.494424 Co\n0.333340 0.333067 0.666652 Co\n0.660644 0.670690 0.336715 Co\n0.005628 0.996963 0.996408 Co\n0.789692 0.842818 0.440809 O\n0.876462 0.826210 0.891727 O\n0.824523 0.326834 0.411761 O\n0.841037 0.343105 0.922937 O\n0.305457 0.810901 0.395498 O\n0.360702 0.857021 0.937757 O\n0.124339 0.170877 0.110385 O\n0.218246 0.103006 0.570922 O\n0.543045 0.493962 0.223616 O\n0.449261 0.562360 0.762337 O\n0.475639 0.060402 0.256687 O\n0.486728 0.032151 0.744964 O\n0.192319 0.605142 0.076787 O\n0.179254 0.633860 0.587961 O\n0.977758 0.578001 0.257608 O\n0.971790 0.469077 0.728427 O\n0.689721 0.087396 0.075953 O\n0.694533 0.197136 0.604512 O\n",
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"formula_full": "Sr2 La4 Co6 O18",
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{
"id": "mp-1218340",
"created_at": "2022-09-04T14:47:09.038606Z",
"structure_string": "Sr3 La1 Co2 O8\n1.0\n2.714881 -6.334381 0.000000\n2.714881 6.334381 0.000000\n0.000000 0.000000 5.378826\nSr La Co O\n3 1 2 8\ndirect\n0.644369 0.355631 0.000000 Sr\n0.357645 0.642355 0.000000 Sr\n0.856054 0.143946 0.500000 Sr\n0.142594 0.857406 0.500000 La\n0.497608 0.502392 0.500000 Co\n0.997822 0.002178 0.000000 Co\n0.841965 0.158035 0.000000 O\n0.329188 0.670812 0.500000 O\n0.662235 0.337765 0.500000 O\n0.159574 0.840426 0.000000 O\n0.761060 0.755587 0.749238 O\n0.244413 0.238940 0.250762 O\n0.244413 0.238940 0.749238 O\n0.761060 0.755587 0.250762 O\n",
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"density": 5.813017269280589,
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"volume": 185.00031634180803,
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"formula_full": "Sr3 La1 Co2 O8",
"formula_reduced": "Sr3La(CoO4)2",
"formula_anonymous": "AB2C3D8",
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},
{
"id": "mp-1299481",
"created_at": "2022-09-04T14:46:30.685826Z",
"structure_string": "Sr2 La4 Co6 O18\n1.0\n3.894556 0.002476 3.884829\n-7.784722 0.004372 3.880320\n0.002808 -7.716629 3.876932\nSr La Co O\n2 4 6 18\ndirect\n0.666328 0.581762 0.247948 Sr\n0.666752 0.082076 0.751001 Sr\n0.327158 0.412510 0.755155 La\n0.335957 0.922785 0.247324 La\n0.003046 0.249814 0.250826 La\n0.996718 0.747943 0.754284 La\n0.664563 0.831437 0.500875 Co\n0.667331 0.333265 0.999940 Co\n0.331710 0.665760 0.001706 Co\n0.333865 0.166552 0.501167 Co\n0.998106 0.498220 0.500614 Co\n0.000012 0.999545 0.999523 Co\n0.669039 0.834545 0.996750 O\n0.666634 0.333675 0.500387 O\n0.166879 0.579549 0.246270 O\n0.167897 0.085256 0.751921 O\n0.167442 0.834909 0.997069 O\n0.173143 0.331249 0.500834 O\n0.332167 0.170550 0.005402 O\n0.321140 0.669725 0.501568 O\n0.000443 0.494412 0.995161 O\n0.013112 0.001826 0.495201 O\n0.488006 0.737127 0.755973 O\n0.495249 0.243488 0.248343 O\n0.837579 0.422383 0.752695 O\n0.840836 0.930453 0.243733 O\n0.498550 0.493783 0.994982 O\n0.494927 0.000258 0.495694 O\n0.836490 0.172086 0.003951 O\n0.838924 0.673059 0.503702 O\n",
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"elements": [
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"density": 6.50914161324821,
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"formula_full": "Sr2 La4 Co6 O18",
"formula_reduced": "SrLa2(CoO3)3",
"formula_anonymous": "AB2C3D9",
"energy": -226.26038839,
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"updated_at": "2021-11-28T01:37:42.883000Z",
"spacegroup": 12
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{
"id": "mp-1274449",
"created_at": "2022-09-04T14:46:17.080602Z",
"structure_string": "Sr2 La2 Co2 O8\n1.0\n-3.859969 -3.851959 0.000293\n-1.929688 1.925199 6.390505\n-3.860099 3.852113 -0.000722\nSr La Co O\n2 2 2 8\ndirect\n0.999998 0.284735 0.357622 Sr\n0.499996 0.284682 0.857668 Sr\n0.499988 0.714122 0.142953 La\n0.000013 0.714436 0.642781 La\n0.499996 0.007569 0.496236 Co\n0.999998 0.007229 0.996397 Co\n0.000027 0.666407 0.166788 O\n0.499993 0.666606 0.666661 O\n0.500011 0.347586 0.326220 O\n0.999977 0.347785 0.826091 O\n0.742370 0.989782 0.746752 O\n0.257660 0.989792 0.263451 O\n0.758057 0.989638 0.247385 O\n0.241916 0.989633 0.762995 O\n",
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"density": 6.106618071253213,
"density_atomic": 0.07366426675380575,
"volume": 190.05144036510364,
"volume_molar": 8.175118039424285,
"formula_full": "Sr2 La2 Co2 O8",
"formula_reduced": "SrLaCoO4",
"formula_anonymous": "ABCD4",
"energy": -105.80144627,
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"updated_at": "2021-11-28T01:37:33.402000Z",
"spacegroup": 41
},
{
"id": "mp-1080670",
"created_at": "2022-09-04T14:39:15.166320Z",
"structure_string": "Sr2 La1 Co1 O6\n1.0\n0.000000 4.168467 4.168467\n4.168467 0.000000 4.168467\n4.168467 4.168467 0.000000\nSr La Co O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Co\n0.772824 0.772824 0.227176 O\n0.227176 0.227176 0.772824 O\n0.227176 0.772824 0.772824 O\n0.772824 0.227176 0.227176 O\n0.772824 0.227176 0.772824 O\n0.227176 0.772824 0.227176 O\n",
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"volume": 144.86354168982137,
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"formula_full": "Sr2 La1 Co1 O6",
"formula_reduced": "Sr2LaCoO6",
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"energy": -69.72419857,
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{
"id": "mp-1274114",
"created_at": "2022-09-04T14:40:14.200236Z",
"structure_string": "Sr4 La4 Co4 O16\n1.0\n-3.855175 3.851991 0.000140\n-3.868303 -3.865108 0.000141\n-3.862185 -0.006562 12.744936\nSr La Co O\n4 4 4 16\ndirect\n0.178896 0.178870 0.642522 Sr\n0.678870 0.678867 0.642575 Sr\n0.428941 0.928929 0.142405 Sr\n0.928875 0.428867 0.142505 Sr\n0.071288 0.571264 0.857290 La\n0.571178 0.071164 0.857515 La\n0.321287 0.321320 0.357217 La\n0.821284 0.821304 0.357246 La\n0.248263 0.748238 0.503478 Co\n0.498207 0.498230 0.003538 Co\n0.748102 0.248006 0.503876 Co\n0.998101 0.998193 0.003668 Co\n0.083298 0.083229 0.833349 O\n0.583203 0.583119 0.833521 O\n0.333192 0.833270 0.333292 O\n0.833191 0.333255 0.333312 O\n0.163142 0.663176 0.673840 O\n0.663109 0.163150 0.673849 O\n0.413289 0.413269 0.173710 O\n0.913256 0.913210 0.173747 O\n0.761535 0.760445 0.994728 O\n0.243685 0.244824 0.994719 O\n0.993853 0.494528 0.494674 O\n0.511481 0.010800 0.494608 O\n0.260545 0.744045 0.994677 O\n0.744733 0.261183 0.994653 O\n0.494513 0.510994 0.494759 O\n0.010686 0.994254 0.494726 O\n",
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"formula_full": "Sr4 La4 Co4 O16",
"formula_reduced": "SrLaCoO4",
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{
"id": "mp-1276828",
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"structure_string": "Sr4 La4 Co4 O16\n1.0\n3.862773 -0.004840 0.000715\n-1.947601 13.528114 6.243225\n-1.928207 -1.936741 6.258494\nSr La Co O\n4 4 4 16\ndirect\n0.640144 0.409591 0.873403 Sr\n0.639130 0.660263 0.620130 Sr\n0.640889 0.909889 0.372868 Sr\n0.639796 0.160227 0.120353 Sr\n0.360411 0.589913 0.129065 La\n0.360248 0.840629 0.878417 La\n0.360009 0.089640 0.629480 La\n0.360756 0.340591 0.378871 La\n0.001396 0.750709 0.252246 Co\n0.004777 0.000909 0.008009 Co\n0.004934 0.500994 0.508156 Co\n0.001281 0.250451 0.752364 Co\n0.835595 0.456156 0.215758 O\n0.835916 0.711745 0.963753 O\n0.835649 0.956305 0.715364 O\n0.835982 0.211594 0.464045 O\n0.174405 0.544376 0.803224 O\n0.169599 0.791509 0.545411 O\n0.174225 0.044199 0.303398 O\n0.169675 0.291389 0.045622 O\n0.496372 0.498362 0.493297 O\n0.493173 0.749143 0.237746 O\n0.496201 0.998209 0.992878 O\n0.493072 0.248881 0.737885 O\n0.991724 0.626902 0.355988 O\n0.996411 0.870478 0.122621 O\n0.992130 0.126659 0.856797 O\n0.996101 0.370289 0.622847 O\n",
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"formula_full": "Sr4 La4 Co4 O16",
"formula_reduced": "SrLaCoO4",
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"energy": -211.21595862,
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{
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"created_at": "2022-09-04T14:39:12.092990Z",
"structure_string": "Sr1 La3 Cr4 O12\n1.0\n2.785961 1.644865 4.490163\n-5.568743 -3.209398 4.459952\n2.781292 -4.847801 -0.028272\nSr La Cr O\n1 3 4 12\ndirect\n0.499765 0.247826 0.002953 Sr\n0.000241 0.752530 0.496540 La\n0.500572 0.754361 0.998819 La\n0.998264 0.246905 0.501215 La\n0.999999 0.000850 0.000680 Cr\n0.498967 0.497399 0.498963 Cr\n0.999851 0.499339 0.999584 Cr\n0.500585 0.999899 0.499770 Cr\n0.000929 0.748643 0.061877 O\n0.498671 0.258228 0.552059 O\n0.999408 0.250860 0.933035 O\n0.501402 0.744118 0.438454 O\n0.220361 0.533864 0.716702 O\n0.781274 0.966151 0.717704 O\n0.722610 0.022397 0.224092 O\n0.282892 0.476055 0.231204 O\n0.715346 0.537578 0.770365 O\n0.279782 0.962588 0.778315 O\n0.214121 0.028006 0.288748 O\n0.784963 0.472404 0.288919 O\n",
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"volume": 241.93015195326356,
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"formula_full": "Sr1 La3 Cr4 O12",
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"formula_anonymous": "AB3C4D12",
"energy": -175.27798451,
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{
"id": "mp-1079391",
"created_at": "2022-09-04T14:40:10.571224Z",
"structure_string": "Sr2 La1 Cr1 O6\n1.0\n0.000000 4.201574 4.201574\n4.201574 0.000000 4.201574\n4.201574 4.201574 0.000000\nSr La Cr O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Cr\n0.775159 0.775159 0.224841 O\n0.224841 0.775159 0.224841 O\n0.775159 0.224841 0.224841 O\n0.224841 0.224841 0.775159 O\n0.775159 0.224841 0.775159 O\n0.224841 0.775159 0.775159 O\n",
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"volume": 148.3426546001943,
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"formula_full": "Sr2 La1 Cr1 O6",
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"energy": -75.1592683,
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{
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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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"volume": 300.06319851335036,
"volume_molar": 7.228091273372875,
"formula_full": "Sr1 La4 Cr5 O15",
"formula_reduced": "SrLa4Cr5O15",
"formula_anonymous": "AB4C5D15",
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"updated_at": "2021-11-28T01:35:54.112000Z",
"spacegroup": 12
},
{
"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",
"nsites": 25,
"nelements": 4,
"elements": [
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"La",
"Cr",
"O"
],
"chemical_system": "Cr-La-O-Sr",
"density": 6.3083210467013515,
"density_atomic": 0.08307634860701696,
"volume": 300.9280068176757,
"volume_molar": 7.2489232627291305,
"formula_full": "Sr1 La4 Cr5 O15",
"formula_reduced": "SrLa4Cr5O15",
"formula_anonymous": "AB4C5D15",
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"energy_above_hull": null,
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"energy_uncorrected": -199.25158226,
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"updated_at": "2021-11-28T01:35:31.749000Z",
"spacegroup": 8
},
{
"id": "mp-1218265",
"created_at": "2022-09-04T14:39:33.424902Z",
"structure_string": "Sr1 La3 Cr4 O12\n1.0\n2.789462 1.610662 4.473417\n-5.598671 -3.232463 4.490567\n2.788878 -4.830725 -0.000094\nSr La Cr O\n1 3 4 12\ndirect\n0.500065 0.250017 0.001970 Sr\n0.000034 0.749955 0.496119 La\n0.500021 0.749979 0.000920 La\n0.999851 0.250056 0.500680 La\n0.999711 0.000717 0.999480 Cr\n0.500218 0.001347 0.499610 Cr\n0.000333 0.499274 0.999497 Cr\n0.499721 0.498670 0.499575 Cr\n0.999973 0.749947 0.061068 O\n0.500112 0.249809 0.552968 O\n0.000010 0.250109 0.933337 O\n0.499897 0.750117 0.436350 O\n0.217707 0.535205 0.718289 O\n0.782117 0.964907 0.718064 O\n0.722469 0.023636 0.223328 O\n0.277227 0.476436 0.222784 O\n0.720286 0.536609 0.779537 O\n0.279995 0.963283 0.778998 O\n0.211344 0.027055 0.288791 O\n0.788908 0.472873 0.288634 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-La-O-Sr",
"density": 6.205251282590264,
"density_atomic": 0.08264587920520848,
"volume": 241.99633656676698,
"volume_molar": 7.28668001104703,
"formula_full": "Sr1 La3 Cr4 O12",
"formula_reduced": "SrLa3Cr4O12",
"formula_anonymous": "AB3C4D12",
"energy": -175.03819628000002,
"energy_per_atom": -8.751909814000001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -158.79819628,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:27.690000Z",
"spacegroup": 3
}
]
}