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{
"id": "jvasp-95286",
"created_at": "2022-09-04T14:36:04.862083Z",
"updated_at": "2022-09-04T14:36:04.862116Z",
"structure_string": "Sr4 Li4 B4 O12\n1.0\n6.083266 0.000000 -2.194235\n0.000000 6.733810 0.000000\n-0.017395 0.000000 6.919157\nSr Li B O\n4 4 4 12\ndirect\n0.197834 0.124411 0.864874 Sr\n0.802166 0.875589 0.135126 Sr\n0.697835 0.375589 0.364874 Sr\n0.302165 0.624411 0.635126 Sr\n0.601621 0.090925 0.694689 Li\n0.898379 0.590925 0.805311 Li\n0.398379 0.909075 0.305311 Li\n0.101621 0.409075 0.194689 Li\n0.189910 0.135737 0.426076 B\n0.689910 0.364263 0.926075 B\n0.810090 0.864263 0.573924 B\n0.310090 0.635737 0.073924 B\n0.840330 0.886339 0.782700 O\n0.392559 0.801134 0.007256 O\n0.159669 0.113661 0.217300 O\n0.340330 0.613660 0.282700 O\n0.804217 0.509916 0.062395 O\n0.304216 0.990084 0.562395 O\n0.195783 0.490084 0.937605 O\n0.892559 0.698865 0.507256 O\n0.107441 0.301135 0.492744 O\n0.659669 0.386339 0.717300 O\n0.695783 0.009916 0.437604 O\n0.607441 0.198865 0.992744 O\n",
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{
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"structure_string": "Sr4 Li4 Al12 N16\n1.0\n5.717118 -0.001366 1.340049\n1.200422 7.369480 0.835193\n-0.006210 -0.002375 9.974598\nSr Li Al N\n4 4 12 16\ndirect\n0.995724 0.866154 0.872598 Sr\n0.004276 0.133846 0.127402 Sr\n0.976795 0.615860 0.628439 Sr\n0.023204 0.384141 0.371561 Sr\n0.533362 0.674879 0.887140 Li\n0.466638 0.325121 0.112860 Li\n0.791900 0.818745 0.355312 Li\n0.208100 0.181255 0.644688 Li\n0.562214 0.202468 0.367210 Al\n0.437786 0.797532 0.632790 Al\n0.531141 0.438707 0.624727 Al\n0.819770 0.556838 0.100107 Al\n0.180230 0.443162 0.899893 Al\n0.468859 0.561293 0.375273 Al\n0.831215 0.292382 0.852616 Al\n0.174590 0.940250 0.398008 Al\n0.825410 0.059750 0.601992 Al\n0.552377 0.954301 0.123506 Al\n0.447623 0.045699 0.876494 Al\n0.168785 0.707618 0.147384 Al\n0.196979 0.708733 0.332952 N\n0.803021 0.291267 0.667048 N\n0.161894 0.475495 0.089226 N\n0.838106 0.524505 0.910774 N\n0.830917 0.795059 0.144375 N\n0.169083 0.204941 0.855625 N\n0.152210 0.932361 0.592446 N\n0.616759 0.916373 0.720692 N\n0.383241 0.083627 0.279308 N\n0.372601 0.354888 0.504728 N\n0.627399 0.645113 0.495272 N\n0.349928 0.866806 0.028024 N\n0.650072 0.133194 0.971976 N\n0.342582 0.591440 0.761618 N\n0.847790 0.067639 0.407554 N\n0.657418 0.408560 0.238382 N\n",
"nsites": 36,
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],
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"density": 3.65867170464208,
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{
"id": "jvasp-34547",
"created_at": "2022-09-04T14:37:13.612063Z",
"updated_at": "2022-09-04T14:37:13.612095Z",
"structure_string": "Sr4 Li2 Si2 O8 F2\n1.0\n0.000000 6.576125 0.015723\n5.429618 0.000000 0.000000\n0.000000 -2.657561 -6.452864\nSr Li Si O F\n4 2 2 8 2\ndirect\n0.839351 0.250000 0.627315 Sr\n0.635469 0.750000 0.900093 Sr\n0.160650 0.750000 0.372685 Sr\n0.364532 0.250000 0.099906 Sr\n0.851862 0.250000 0.119606 Li\n0.148139 0.750000 0.880394 Li\n0.655186 0.750000 0.335166 Si\n0.344815 0.250000 0.664834 Si\n0.221497 0.494063 0.710678 O\n0.778504 0.994063 0.289322 O\n0.221497 0.005937 0.710678 O\n0.596820 0.250000 0.845592 O\n0.778504 0.505937 0.289322 O\n0.403181 0.750000 0.154407 O\n0.341776 0.250000 0.430232 O\n0.658225 0.750000 0.569767 O\n0.000000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 18,
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],
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"density": 4.2312787350604415,
"density_atomic": 0.07820031637621609,
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"formula_full": "Sr4 Li2 Si2 O8 F2",
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{
"id": "jvasp-10696",
"created_at": "2022-09-04T14:37:11.550842Z",
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"structure_string": "Sr4 Li2 Re2 N8\n1.0\n0.000000 6.188251 0.011755\n5.865837 0.000000 0.000000\n0.000000 -1.961897 -6.620717\nSr Li Re N\n4 2 2 8\ndirect\n0.261582 0.250000 0.942714 Sr\n0.738417 0.750000 0.057286 Sr\n0.783174 0.750000 0.569148 Sr\n0.216825 0.250000 0.430852 Sr\n0.307162 0.750000 0.689107 Li\n0.692837 0.250000 0.310893 Li\n0.716693 0.250000 0.798112 Re\n0.283307 0.750000 0.201888 Re\n0.472674 0.503800 0.252274 N\n0.527326 0.003800 0.747726 N\n0.527326 0.496201 0.747726 N\n0.472674 0.996201 0.252274 N\n0.099760 0.750000 0.373613 N\n0.900239 0.250000 0.626387 N\n0.116795 0.750000 0.934099 N\n0.883204 0.250000 0.065901 N\n",
"nsites": 16,
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{
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"created_at": "2022-09-04T14:36:06.662053Z",
"updated_at": "2022-09-04T14:36:06.662077Z",
"structure_string": "Sr4 Li2 Co2 N4\n1.0\n5.367150 0.000000 0.000000\n0.000000 5.367150 0.000000\n0.000000 0.000000 7.345524\nSr Li Co N\n4 2 2 4\ndirect\n0.000000 0.500000 0.750000 Sr\n0.000000 0.500000 0.250000 Sr\n0.500000 0.000000 0.250000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.737870 0.737870 0.500000 N\n0.762129 0.237870 0.000000 N\n0.262130 0.262130 0.500000 N\n0.237870 0.762129 0.000000 N\n",
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"density_atomic": 0.05671148218382847,
"volume": 211.59736155550266,
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"formula_full": "Sr4 Li2 Co2 N4",
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"formula_anonymous": "ABC2D2",
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},
{
"id": "jvasp-86193",
"created_at": "2022-09-04T14:35:52.226626Z",
"updated_at": "2022-09-04T14:35:52.226650Z",
"structure_string": "Sr4 Li2 Co2 N4\n1.0\n5.367137 0.000000 0.000000\n0.000000 5.367137 0.000000\n0.000000 0.000000 7.345576\nSr Li Co N\n4 2 2 4\ndirect\n0.000000 0.500000 0.750000 Sr\n0.000000 0.500000 0.250000 Sr\n0.500000 0.000000 0.250000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.737873 0.737873 0.500000 N\n0.762128 0.237872 0.000000 N\n0.262128 0.262128 0.500000 N\n0.237872 0.762128 0.000000 N\n",
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"formula_full": "Sr4 Li2 Co2 N4",
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{
"id": "jvasp-52291",
"created_at": "2022-09-04T14:36:32.289990Z",
"updated_at": "2022-09-04T14:36:32.290000Z",
"structure_string": "Sr4 Li1 Cu1 C2 O10\n1.0\n0.000000 5.543269 -0.000000\n2.771634 -2.771634 7.347557\n5.543269 0.000000 0.000000\nSr Li Cu C O\n4 1 1 2 10\ndirect\n0.114130 0.228260 0.385870 Sr\n0.385871 0.771740 0.114129 Sr\n0.614130 0.228260 0.885870 Sr\n0.885871 0.771740 0.614129 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Cu\n0.763147 0.526291 0.236854 C\n0.236855 0.473709 0.763146 C\n0.424175 0.559605 0.575826 O\n0.732619 0.993215 0.739401 O\n0.267383 0.006785 0.732618 O\n0.864569 0.440395 0.424174 O\n0.739402 0.006785 0.260598 O\n0.575827 0.440395 0.135431 O\n0.260599 0.993215 0.267382 O\n0.148363 0.296726 0.851637 O\n0.851638 0.703274 0.148362 O\n0.135432 0.559605 0.864568 O\n",
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{
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"structure_string": "Sr4 Li1 B3 N6\n1.0\n6.088248 -0.000000 -2.152521\n-3.044124 5.272578 -2.152521\n0.000000 0.000000 6.457562\nSr Li B N\n4 1 3 6\ndirect\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500001 0.500000 0.500000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 B\n0.500000 -0.000000 0.500000 B\n0.500001 0.500000 0.000000 B\n0.680524 -0.000000 0.680524 N\n0.000000 0.319476 0.319476 N\n0.319476 -0.000000 0.319476 N\n0.319477 0.319476 0.000000 N\n0.680525 0.680524 0.000001 N\n0.000001 0.680524 0.680524 N\n",
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{
"id": "jvasp-116763",
"created_at": "2022-09-04T14:38:45.445295Z",
"updated_at": "2022-09-04T14:38:45.445323Z",
"structure_string": "Sr4 La2 Mn2 Co2 O14\n1.0\n5.423343 -0.002845 0.000209\n0.004811 10.011457 2.706499\n-0.000168 0.002919 5.423418\nSr La Mn Co O\n4 2 2 2 14\ndirect\n0.000036 0.002204 0.498810 Sr\n0.500068 0.002204 0.998915 Sr\n0.000040 0.363329 0.318211 Sr\n0.500036 0.363328 0.818415 Sr\n0.499962 0.637028 0.182023 La\n0.999610 0.637028 0.681235 La\n0.500039 0.192377 0.403831 Mn\n0.000064 0.192377 0.903735 Mn\n0.000001 0.810820 0.094537 Co\n0.499939 0.810820 0.594682 Co\n0.250066 0.193754 0.153077 O\n0.750065 0.193957 0.652978 O\n0.249964 0.799131 0.850447 O\n0.749958 0.799720 0.350154 O\n0.249917 0.799564 0.350287 O\n0.749921 0.799281 0.850432 O\n0.500165 0.609685 0.694674 O\n0.499919 0.002385 0.499257 O\n0.000017 0.395612 0.802322 O\n0.500067 0.395612 0.302022 O\n0.750063 0.193699 0.153108 O\n0.999806 0.609684 0.195663 O\n0.000205 0.002385 0.998248 O\n0.250062 0.194017 0.652948 O\n",
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{
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"structure_string": "Sr4 La1 Co5 O15\n1.0\n8.240487 -0.024110 2.220596\n6.482669 5.087358 2.220596\n-0.023847 -0.008201 6.615212\nSr La Co O\n4 1 5 15\ndirect\n0.099677 0.099677 0.099566 Sr\n0.700280 0.700280 0.700593 Sr\n0.299720 0.299720 0.299408 Sr\n0.900322 0.900323 0.900435 Sr\n0.500000 0.500000 0.500000 La\n0.898476 0.898476 0.399729 Co\n0.500000 0.500000 0.000000 Co\n0.101524 0.101524 0.600272 Co\n0.701320 0.701320 0.197529 Co\n0.298680 0.298680 0.802472 Co\n0.795659 0.302573 0.795153 O\n0.204341 0.697427 0.204848 O\n0.599766 0.107805 0.599374 O\n0.201098 0.201098 0.695142 O\n0.598388 0.598388 0.105014 O\n-0.000000 0.000000 0.500000 O\n0.892195 0.400234 0.400626 O\n0.798902 0.798902 0.304859 O\n0.107804 0.599766 0.599374 O\n0.500000 -0.000000 0.000000 O\n0.400234 0.892196 0.400626 O\n0.302573 0.795660 0.795153 O\n0.697427 0.204341 0.204848 O\n0.401611 0.401612 0.894987 O\n-0.000000 0.500000 0.000000 O\n",
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"formula_full": "Sr4 La1 Co5 O15",
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{
"id": "jvasp-23763",
"created_at": "2022-09-04T14:37:39.397999Z",
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"structure_string": "Sr4 In4 Pt4\n1.0\n4.555197 0.000000 0.000000\n0.000000 7.605957 0.000000\n0.000000 0.000000 8.594013\nSr In Pt\n4 4 4\ndirect\n0.750001 0.970450 0.679759 Sr\n0.250000 0.029550 0.320240 Sr\n0.750001 0.470450 0.820240 Sr\n0.250000 0.529550 0.179759 Sr\n0.750001 0.351216 0.433549 In\n0.250000 0.148784 0.933549 In\n0.250000 0.648784 0.566451 In\n0.750001 0.851217 0.066451 In\n0.250000 0.775047 0.880019 Pt\n0.250000 0.275047 0.619981 Pt\n0.750001 0.724954 0.380019 Pt\n0.750001 0.224953 0.119981 Pt\n",
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"density": 8.867745521861439,
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"volume": 297.7536101845208,
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"formula_full": "Sr4 In4 Pt4",
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},
{
"id": "jvasp-12433",
"created_at": "2022-09-04T14:37:10.033349Z",
"updated_at": "2022-09-04T14:37:10.033369Z",
"structure_string": "Sr4 In4 O10\n1.0\n5.563491 -0.000000 -1.906372\n-0.707185 5.712839 -2.063827\n-0.017135 -0.016045 9.021332\nSr In O\n4 4 10\ndirect\n0.123373 0.631518 0.214828 Sr\n0.908545 0.368483 0.785172 Sr\n0.623373 0.083311 0.214829 Sr\n0.408544 0.916690 0.785171 Sr\n0.291416 0.311811 0.500000 In\n0.501859 0.500000 -0.000000 In\n0.001860 0.000000 0.000000 In\n0.791415 0.688190 0.500000 In\n0.738388 0.725454 0.964336 O\n0.650605 0.367035 0.500000 O\n0.238388 0.738884 0.964336 O\n0.814104 0.943424 0.722445 O\n0.091660 0.056577 0.277555 O\n0.314105 0.279022 0.722445 O\n0.591659 0.720979 0.277555 O\n0.150605 0.632966 0.500000 O\n0.274052 0.261117 0.035664 O\n0.774051 0.274547 0.035664 O\n",
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"volume": 286.335482203569,
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]
}