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{
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"results": [
{
"id": "mp-1245757",
"created_at": "2022-09-04T14:45:31.270658Z",
"structure_string": "Sr6 In6 N10\n1.0\n6.533707 0.028654 -0.184046\n-0.708471 7.509751 0.116064\n-2.533223 -2.960257 8.342030\nSr In N\n6 6 10\ndirect\n0.806221 0.420953 0.600594 Sr\n0.193779 0.579047 0.399406 Sr\n0.671666 0.866718 0.887395 Sr\n0.328334 0.133282 0.112605 Sr\n0.652869 0.631517 0.192408 Sr\n0.347131 0.368483 0.807592 Sr\n0.899128 0.308837 0.964935 In\n0.100872 0.691163 0.035065 In\n0.724271 0.948303 0.561603 In\n0.275729 0.051697 0.438397 In\n0.151414 0.854880 0.719273 In\n0.848586 0.145120 0.280727 In\n0.989332 0.091767 0.795801 N\n0.010668 0.908233 0.204199 N\n0.863082 0.694440 0.497820 N\n0.136918 0.305560 0.502180 N\n0.755225 0.530498 0.876668 N\n0.244775 0.469502 0.123332 N\n0.408263 0.909349 0.613638 N\n0.591737 0.090651 0.386362 N\n0.318625 0.759607 0.916489 N\n0.681375 0.240393 0.083511 N\n",
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"energy": -118.88192743,
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},
{
"id": "mp-605735",
"created_at": "2022-09-04T14:47:10.687650Z",
"structure_string": "Sr6 In8 Pb2\n1.0\n2.530555 -6.096479 0.000000\n2.530555 6.096479 0.000000\n0.000000 0.000000 16.948668\nSr In Pb\n6 8 2\ndirect\n0.088343 0.911657 0.388932 Sr\n0.636097 0.363903 0.750000 Sr\n0.363903 0.636097 0.250000 Sr\n0.911657 0.088343 0.611068 Sr\n0.911657 0.088343 0.888932 Sr\n0.088343 0.911657 0.111068 Sr\n0.206974 0.793026 0.902898 In\n0.793026 0.206974 0.402898 In\n0.386948 0.613052 0.464042 In\n0.613052 0.386948 0.964042 In\n0.206974 0.793026 0.597102 In\n0.613052 0.386948 0.535958 In\n0.386948 0.613052 0.035958 In\n0.793026 0.206974 0.097102 In\n0.345911 0.654089 0.750000 Pb\n0.654089 0.345911 0.250000 Pb\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "In-Pb-Sr",
"density": 5.901868836511212,
"density_atomic": 0.03059564064752787,
"volume": 522.9503178026378,
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"formula_full": "Sr6 In8 Pb2",
"formula_reduced": "Sr3In4Pb",
"formula_anonymous": "AB3C4",
"energy": -46.90008226,
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"updated_at": "2021-11-28T01:37:58.559000Z",
"spacegroup": 63
},
{
"id": "mp-1029741",
"created_at": "2022-09-04T14:40:03.884636Z",
"structure_string": "Sr6 Ir2 N6\n1.0\n3.871492 -6.705621 0.000000\n3.871492 6.705621 0.000000\n0.000000 0.000000 5.334834\nSr Ir N\n6 2 6\ndirect\n0.637635 0.733349 0.750000 Sr\n0.095714 0.362365 0.750000 Sr\n0.266651 0.904286 0.750000 Sr\n0.362365 0.266651 0.250000 Sr\n0.904286 0.637635 0.250000 Sr\n0.733349 0.095714 0.250000 Sr\n0.333333 0.666667 0.250000 Ir\n0.666667 0.333333 0.750000 Ir\n0.594956 0.699814 0.250000 N\n0.104858 0.405044 0.250000 N\n0.300186 0.895142 0.250000 N\n0.405044 0.300186 0.750000 N\n0.895142 0.594956 0.750000 N\n0.699814 0.104858 0.750000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Ir",
"N"
],
"chemical_system": "Ir-N-Sr",
"density": 5.960079419855062,
"density_atomic": 0.05054285380800851,
"volume": 276.99266949152167,
"volume_molar": 11.914920322615007,
"formula_full": "Sr6 Ir2 N6",
"formula_reduced": "Sr3IrN3",
"formula_anonymous": "AB3C3",
"energy": -87.15089148,
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"energy_uncorrected": -84.98489148,
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"updated_at": "2021-11-28T01:34:50.661000Z",
"spacegroup": 176
},
{
"id": "mp-1218532",
"created_at": "2022-09-04T14:41:19.698795Z",
"structure_string": "Sr6 Ir2 Ru1 O12\n1.0\n2.785967 8.355413 0.000000\n-2.785967 8.355413 0.000000\n0.000000 2.785141 6.397822\nSr Ir Ru O\n6 2 1 12\ndirect\n0.882068 0.882068 0.706515 Sr\n0.215756 0.215756 0.706490 Sr\n0.549126 0.549126 0.705392 Sr\n0.450874 0.450874 0.294608 Sr\n0.784244 0.784244 0.293510 Sr\n0.117932 0.117932 0.293485 Sr\n0.665562 0.665562 0.000005 Ir\n0.334438 0.334438 0.999995 Ir\n0.000000 0.000000 0.000000 Ru\n0.945772 0.945772 0.325303 O\n0.279210 0.279210 0.325804 O\n0.612177 0.612177 0.325911 O\n0.387823 0.387823 0.674089 O\n0.720790 0.720790 0.674196 O\n0.054228 0.054228 0.674697 O\n0.500000 0.000000 0.000000 O\n0.834244 0.331048 0.999928 O\n0.165756 0.668952 0.000072 O\n0.000000 0.500000 0.000000 O\n0.331048 0.834244 0.999928 O\n0.668952 0.165756 0.000072 O\n",
"nsites": 21,
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"elements": [
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"Ru",
"O"
],
"chemical_system": "Ir-O-Ru-Sr",
"density": 6.707905668155566,
"density_atomic": 0.07050391876179651,
"volume": 297.8557840302507,
"volume_molar": 8.541568845763477,
"formula_full": "Sr6 Ir2 Ru1 O12",
"formula_reduced": "Sr6Ir2RuO12",
"formula_anonymous": "AB2C6D12",
"energy": -146.55027115,
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"updated_at": "2021-11-28T01:35:18.149000Z",
"spacegroup": 12
},
{
"id": "mp-1246306",
"created_at": "2022-09-04T14:45:12.667939Z",
"structure_string": "Sr6 Ir4 N8\n1.0\n7.370624 -0.176731 -0.066648\n-5.770250 7.373684 0.000000\n-0.144391 -0.112992 5.573475\nSr Ir N\n6 4 8\ndirect\n0.239793 0.966239 0.055413 Sr\n0.760207 0.726445 0.444587 Sr\n0.760207 0.033761 0.944587 Sr\n0.239793 0.273555 0.555413 Sr\n0.000000 0.593361 0.750000 Sr\n0.000000 0.406639 0.250000 Sr\n0.531970 0.150241 0.584189 Ir\n0.468030 0.618272 0.915811 Ir\n0.468030 0.849759 0.415811 Ir\n0.531970 0.381728 0.084189 Ir\n0.215333 0.929603 0.539472 N\n0.784667 0.714270 0.960528 N\n0.784667 0.070397 0.460528 N\n0.215333 0.285730 0.039472 N\n0.664844 0.268603 0.924154 N\n0.335156 0.603760 0.575846 N\n0.335156 0.731397 0.075846 N\n0.664844 0.396240 0.424154 N\n",
"nsites": 18,
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"elements": [
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"Ir",
"N"
],
"chemical_system": "Ir-N-Sr",
"density": 7.861606863074205,
"density_atomic": 0.0605830693916891,
"volume": 297.1127112035904,
"volume_molar": 9.940303158073613,
"formula_full": "Sr6 Ir4 N8",
"formula_reduced": "Sr3(IrN2)2",
"formula_anonymous": "A2B3C4",
"energy": -118.03488655,
"energy_per_atom": -6.557493697222222,
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"updated_at": "2021-11-28T01:36:56.987000Z",
"spacegroup": 15
},
{
"id": "mp-753375",
"created_at": "2022-09-04T14:42:28.417138Z",
"structure_string": "Sr6 Ir4 O14\n1.0\n2.785603 -10.573807 0.000000\n2.785603 10.573807 0.000000\n0.000000 0.000000 5.572647\nSr Ir O\n6 4 14\ndirect\n0.500000 0.500000 0.000000 Sr\n0.312610 0.687390 0.000000 Sr\n0.687390 0.312610 0.000000 Sr\n0.187390 0.812610 0.500000 Sr\n0.812610 0.187390 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.097332 0.902668 0.000000 Ir\n0.902668 0.097332 0.000000 Ir\n0.402668 0.597332 0.500000 Ir\n0.597332 0.402668 0.500000 Ir\n0.194071 0.805929 0.000000 O\n0.091979 0.285470 0.688752 O\n0.591979 0.785470 0.811248 O\n0.000000 0.000000 0.000000 O\n0.805929 0.194071 0.000000 O\n0.408021 0.214530 0.811248 O\n0.305929 0.694071 0.500000 O\n0.500000 0.500000 0.500000 O\n0.214530 0.408021 0.188752 O\n0.285470 0.091979 0.311248 O\n0.694071 0.305929 0.500000 O\n0.714530 0.908021 0.311248 O\n0.908021 0.714530 0.688752 O\n0.785470 0.591979 0.188752 O\n",
"nsites": 24,
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"elements": [
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"Ir",
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],
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"density": 7.681473367380846,
"density_atomic": 0.07310870849872299,
"volume": 328.2782652414003,
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"formula_full": "Sr6 Ir4 O14",
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"energy": -167.81610439,
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"updated_at": "2021-11-28T01:35:50.636000Z",
"spacegroup": 68
},
{
"id": "mp-1245587",
"created_at": "2022-09-04T14:45:01.074175Z",
"structure_string": "Sr6 Ir6 N10\n1.0\n6.506228 -0.139325 -0.767556\n-0.876786 7.645357 0.542625\n-3.121230 -2.616046 7.536155\nSr Ir N\n6 6 10\ndirect\n0.728702 0.407096 0.601401 Sr\n0.271298 0.592904 0.398599 Sr\n0.673202 0.879050 0.877292 Sr\n0.326798 0.120950 0.122708 Sr\n0.690060 0.693416 0.217885 Sr\n0.309940 0.306584 0.782115 Sr\n0.887990 0.340664 0.990904 Ir\n0.112010 0.659336 0.009096 Ir\n0.767126 0.996540 0.578834 Ir\n0.232874 0.003460 0.421166 Ir\n0.088895 0.795676 0.718058 Ir\n0.911105 0.204324 0.281942 Ir\n0.950492 0.148470 0.832805 N\n0.049508 0.851530 0.167195 N\n0.723490 0.732603 0.558855 N\n0.276510 0.267397 0.441145 N\n0.733116 0.532698 0.909598 N\n0.266883 0.467302 0.090402 N\n0.243068 0.896229 0.600004 N\n0.756932 0.103771 0.399996 N\n0.339954 0.776402 0.947066 N\n0.660046 0.223598 0.052934 N\n",
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"formula_full": "Sr6 Ir6 N10",
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"updated_at": "2021-11-28T01:36:46.333000Z",
"spacegroup": 2
},
{
"id": "mp-1193907",
"created_at": "2022-09-04T14:42:54.386921Z",
"structure_string": "Sr6 Ir6 O18\n1.0\n4.847203 2.827895 0.000000\n-4.847203 2.827895 0.000000\n0.000000 0.888007 14.350160\nSr Ir O\n6 6 18\ndirect\n0.009838 0.990162 0.250000 Sr\n0.990162 0.009838 0.750000 Sr\n0.654145 0.317870 0.102156 Sr\n0.682130 0.345855 0.397844 Sr\n0.345855 0.682130 0.897843 Sr\n0.317870 0.654145 0.602156 Sr\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.684402 0.357726 0.848068 Ir\n0.642274 0.315598 0.651932 Ir\n0.315598 0.642274 0.151932 Ir\n0.357726 0.684402 0.348068 Ir\n0.495055 0.504945 0.250000 O\n0.504945 0.495055 0.750000 O\n0.037116 0.508127 0.264595 O\n0.491873 0.962884 0.235405 O\n0.962884 0.491873 0.735405 O\n0.508127 0.037116 0.764595 O\n0.596814 0.790482 0.041918 O\n0.209518 0.403186 0.458082 O\n0.403186 0.209518 0.958082 O\n0.790482 0.596814 0.541918 O\n0.228841 0.931471 0.405432 O\n0.068529 0.771159 0.094568 O\n0.771159 0.068529 0.594568 O\n0.931471 0.228841 0.905432 O\n0.074059 0.263904 0.101805 O\n0.736096 0.925941 0.398195 O\n0.925941 0.736096 0.898195 O\n0.263904 0.074059 0.601805 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
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"O"
],
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"density": 8.302611236795606,
"density_atomic": 0.07625705470434473,
"volume": 393.4062247265204,
"volume_molar": 7.897158870544329,
"formula_full": "Sr6 Ir6 O18",
"formula_reduced": "SrIrO3",
"formula_anonymous": "ABC3",
"energy": -213.16086671,
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"updated_at": "2021-11-28T01:35:58.338000Z",
"spacegroup": 15
},
{
"id": "mp-17097",
"created_at": "2022-09-04T14:46:34.086789Z",
"structure_string": "Sr6 Ir6 O18\n1.0\n2.845634 -4.760178 0.000000\n2.845634 4.760178 0.000000\n0.000000 0.000000 14.485674\nSr Ir O\n6 6 18\ndirect\n0.991741 0.008259 0.750000 Sr\n0.008259 0.991741 0.250000 Sr\n0.323432 0.676568 0.891907 Sr\n0.323432 0.676568 0.608093 Sr\n0.676568 0.323432 0.108093 Sr\n0.676568 0.323432 0.391907 Sr\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.339045 0.660955 0.151997 Ir\n0.339045 0.660955 0.348003 Ir\n0.660955 0.339045 0.848003 Ir\n0.660955 0.339045 0.651997 Ir\n0.200263 0.278893 0.401553 O\n0.721107 0.799737 0.098447 O\n0.799737 0.721107 0.598447 O\n0.278893 0.200263 0.901553 O\n0.201815 0.798185 0.042886 O\n0.201815 0.798185 0.457114 O\n0.798185 0.201815 0.957114 O\n0.798185 0.201815 0.542886 O\n0.721107 0.799737 0.401553 O\n0.200263 0.278893 0.098447 O\n0.278893 0.200263 0.598447 O\n0.799737 0.721107 0.901553 O\n0.512843 0.487157 0.750000 O\n0.487157 0.512843 0.250000 O\n0.518645 0.024358 0.750000 O\n0.975642 0.481355 0.750000 O\n0.481355 0.975642 0.250000 O\n0.024358 0.518645 0.250000 O\n",
"nsites": 30,
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"elements": [
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],
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"density": 8.323097714094008,
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"volume": 392.4378944282635,
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"formula_full": "Sr6 Ir6 O18",
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"energy": -212.6858718,
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"spacegroup": 63
},
{
"id": "mp-1173241",
"created_at": "2022-09-04T14:40:22.456807Z",
"structure_string": "Sr6 La14 Ga2 Co18 O60\n1.0\n4.761814 -0.006807 2.679670\n1.567470 4.496437 2.679670\n-0.225370 -0.159865 54.675131\nSr La Ga Co O\n6 14 2 18 60\ndirect\n0.245904 0.248250 0.025659 Sr\n0.251074 0.248403 0.124851 Sr\n0.249724 0.248009 0.225300 Sr\n0.251991 0.250276 0.324700 Sr\n0.251597 0.248926 0.425149 Sr\n0.251750 0.254096 0.524341 Sr\n0.749672 0.747965 0.074952 La\n0.752123 0.748800 0.175273 La\n0.753795 0.746205 0.275000 La\n0.751200 0.747877 0.374727 La\n0.247970 0.253154 0.624161 La\n0.752035 0.750328 0.475048 La\n0.252671 0.249487 0.724723 La\n0.750875 0.757031 0.573897 La\n0.250513 0.247329 0.825277 La\n0.746296 0.750960 0.674957 La\n0.246846 0.252030 0.925839 La\n0.753839 0.746161 0.775000 La\n0.749040 0.753704 0.875043 La\n0.742969 0.749125 0.976103 La\n0.499358 0.495823 0.250727 Ga\n0.004177 0.000642 0.299273 Ga\n-0.001755 0.996505 0.000614 Co\n0.001315 0.998483 0.099992 Co\n0.994536 -0.001856 0.200551 Co\n0.498664 0.498647 0.050251 Co\n0.499958 0.499881 0.150217 Co\n0.000119 0.000042 0.399783 Co\n0.501856 0.505464 0.349449 Co\n0.501517 0.498685 0.450008 Co\n0.503495 0.501755 0.549386 Co\n0.001353 0.001336 0.499749 Co\n0.003314 0.997770 0.799959 Co\n0.497667 0.500887 0.649876 Co\n0.992741 0.002505 0.600254 Co\n-0.000887 0.002333 0.900124 Co\n0.502230 0.496686 0.750041 Co\n-0.000626 -0.000004 0.699943 Co\n0.500004 0.500626 0.850057 Co\n0.497495 0.507259 0.949746 Co\n0.201090 0.739145 0.031018 O\n0.313094 0.200972 0.074107 O\n0.243283 0.721506 0.079133 O\n0.758443 0.291364 0.019167 O\n0.195442 0.744845 0.130583 O\n0.702076 0.785345 0.024908 O\n0.313220 0.217934 0.172886 O\n0.788492 0.260521 0.069710 O\n0.254905 0.719464 0.178663 O\n0.759927 0.288384 0.118586 O\n0.199591 0.754126 0.229179 O\n0.704700 0.771955 0.125207 O\n0.314109 0.185891 0.275000 O\n0.797094 0.248421 0.170336 O\n0.240920 0.706637 0.279347 O\n0.758452 0.302017 0.218149 O\n0.197983 0.741548 0.331851 O\n0.709540 0.789979 0.223674 O\n0.282066 0.186780 0.377114 O\n0.793363 0.259080 0.270653 O\n0.251579 0.702906 0.379664 O\n0.745874 0.300409 0.320821 O\n0.211616 0.740073 0.431414 O\n0.710021 0.790460 0.326326 O\n0.299028 0.186906 0.475893 O\n0.780536 0.245095 0.371337 O\n0.239479 0.711508 0.480290 O\n0.755155 0.304558 0.419417 O\n0.208636 0.741557 0.530833 O\n0.728045 0.795300 0.424793 O\n0.297919 0.188396 0.576948 O\n0.778494 0.256717 0.470867 O\n0.230424 0.702890 0.581246 O\n0.760855 0.298910 0.518982 O\n0.182101 0.750199 0.631019 O\n0.714655 0.797924 0.525092 O\n0.307034 0.186517 0.675582 O\n0.777156 0.259483 0.570864 O\n0.248752 0.691157 0.681430 O\n0.746447 0.309038 0.618705 O\n0.189405 0.753194 0.730772 O\n0.691417 0.812149 0.625019 O\n0.312137 0.187863 0.775000 O\n0.811941 0.245540 0.669183 O\n0.254727 0.684499 0.781220 O\n0.750226 0.308061 0.718631 O\n0.191939 0.749774 0.831369 O\n0.691705 0.810446 0.724781 O\n0.313483 0.192966 0.874418 O\n0.815501 0.245273 0.768780 O\n0.254460 0.688059 0.880817 O\n0.746806 0.310595 0.819228 O\n0.190962 0.753553 0.931295 O\n0.689554 0.808295 0.825219 O\n0.311604 0.202081 0.973052 O\n0.808843 0.251248 0.868570 O\n0.240517 0.722844 0.979136 O\n0.749801 0.317899 0.918981 O\n0.687851 0.808583 0.924981 O\n0.797110 0.269576 0.968754 O\n",
"nsites": 100,
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"elements": [
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],
"chemical_system": "Co-Ga-La-O-Sr",
"density": 6.542239337324168,
"density_atomic": 0.08508238973328094,
"volume": 1175.331350159337,
"volume_molar": 7.078010830300376,
"formula_full": "Sr6 La14 Ga2 Co18 O60",
"formula_reduced": "Sr3La7Ga(Co3O10)3",
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"energy": -754.5701863300001,
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"updated_at": "2021-11-28T01:34:52.327000Z",
"spacegroup": 5
},
{
"id": "mp-691028",
"created_at": "2022-09-04T14:41:52.317262Z",
"structure_string": "Sr6 La14 Mg7 Ti13 O60\n1.0\n5.603192 0.000000 0.000000\n0.028402 -5.618809 0.000000\n0.037185 -0.031040 -39.560251\nSr La Mg Ti O\n6 14 7 13 60\ndirect\n0.012369 0.997019 0.852400 Sr\n0.014073 0.995885 0.652529 Sr\n0.015830 0.996857 0.050194 Sr\n0.517168 0.505449 0.652764 Sr\n0.516716 0.506497 0.853434 Sr\n0.484178 0.493499 0.947807 Sr\n0.016751 0.002653 0.448881 La\n0.017015 0.004105 0.248802 La\n0.532959 0.512726 0.448969 La\n0.533215 0.514005 0.249148 La\n0.526419 0.509330 0.050859 La\n0.476358 0.490422 0.748934 La\n0.466857 0.486361 0.348956 La\n0.475362 0.491821 0.549062 La\n0.468181 0.488105 0.149050 La\n0.985128 0.002727 0.946182 La\n0.983383 0.001335 0.748857 La\n0.981324 0.001240 0.549293 La\n0.982796 0.996038 0.348769 La\n0.983991 0.998151 0.148571 La\n0.000197 0.500334 0.900185 Mg\n0.998820 0.500788 0.700036 Mg\n0.000872 0.499058 0.499355 Mg\n0.000316 0.499654 0.399647 Mg\n0.999127 0.501239 0.100304 Mg\n0.000996 0.500818 0.199979 Mg\n0.999464 0.499864 0.299812 Mg\n0.005202 0.490072 0.999866 Ti\n0.993593 0.499268 0.801351 Ti\n0.993928 0.501435 0.601278 Ti\n0.504318 0.992507 0.999083 Ti\n0.495166 0.992771 0.801943 Ti\n0.498919 0.995729 0.899848 Ti\n0.499795 0.999521 0.398720 Ti\n0.495034 0.994685 0.601757 Ti\n0.499993 0.991260 0.700688 Ti\n0.499139 0.000603 0.499517 Ti\n0.499921 0.000665 0.298676 Ti\n0.500159 0.000177 0.198744 Ti\n0.500332 0.996842 0.098580 Ti\n0.507961 0.937451 0.951689 O\n0.510261 0.924430 0.750316 O\n0.511586 0.919652 0.550223 O\n0.512383 0.912005 0.350567 O\n0.510757 0.916039 0.150618 O\n0.763944 0.766741 0.805761 O\n0.765068 0.765994 0.605738 O\n0.762341 0.779793 0.409770 O\n0.757789 0.774785 0.894613 O\n0.759181 0.776546 0.694003 O\n0.754490 0.764379 0.008042 O\n0.763360 0.781767 0.291184 O\n0.763826 0.780161 0.491710 O\n0.762064 0.780443 0.209810 O\n0.755276 0.773489 0.092490 O\n0.270059 0.739632 0.806068 O\n0.269860 0.748777 0.894388 O\n0.273530 0.745162 0.694079 O\n0.280886 0.741075 0.291182 O\n0.280624 0.740589 0.409887 O\n0.268593 0.739045 0.606000 O\n0.280018 0.739468 0.491796 O\n0.272718 0.734249 0.008585 O\n0.281687 0.741225 0.210027 O\n0.282845 0.736709 0.092006 O\n0.006734 0.580707 0.953047 O\n0.017388 0.580369 0.751722 O\n0.025526 0.591859 0.349980 O\n0.017367 0.580731 0.551301 O\n0.026273 0.593772 0.150350 O\n0.992415 0.436003 0.646909 O\n0.993231 0.438475 0.846951 O\n0.974153 0.407229 0.449814 O\n0.974368 0.408208 0.250109 O\n0.980858 0.438587 0.047955 O\n0.737308 0.258929 0.992782 O\n0.737035 0.263929 0.790318 O\n0.733966 0.247837 0.907389 O\n0.736097 0.263521 0.590294 O\n0.725457 0.258451 0.708651 O\n0.718678 0.258983 0.391027 O\n0.721509 0.259325 0.509727 O\n0.719034 0.258883 0.309826 O\n0.719911 0.259274 0.191129 O\n0.720653 0.259974 0.108837 O\n0.237635 0.222683 0.907786 O\n0.240888 0.227428 0.708718 O\n0.237209 0.221408 0.509758 O\n0.237622 0.219834 0.309745 O\n0.230542 0.232788 0.992653 O\n0.238264 0.235069 0.790408 O\n0.238393 0.234701 0.590418 O\n0.236517 0.217914 0.391089 O\n0.239652 0.223405 0.109300 O\n0.236227 0.218521 0.191231 O\n0.492734 0.066635 0.848251 O\n0.493035 0.066102 0.648119 O\n0.487616 0.086602 0.450642 O\n0.487693 0.088269 0.250608 O\n0.491543 0.082473 0.049773 O\n",
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"elements": [
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"O"
],
"chemical_system": "La-Mg-O-Sr-Ti",
"density": 5.629986598935709,
"density_atomic": 0.08028995007207147,
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"volume_molar": 7.500491349906539,
"formula_full": "Sr6 La14 Mg7 Ti13 O60",
"formula_reduced": "Sr6La14Mg7Ti13O60",
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"updated_at": "2021-11-28T01:35:33.500000Z",
"spacegroup": 1
},
{
"id": "mp-1173225",
"created_at": "2022-09-04T14:46:13.320031Z",
"structure_string": "Sr6 La14 Mn17 Cu3 O60\n1.0\n4.809723 -0.016619 2.707044\n1.573132 4.544912 2.706019\n-0.177850 -0.138807 55.224068\nSr La Mn Cu O\n6 14 17 3 60\ndirect\n0.251218 0.252565 0.024716 Sr\n0.247738 0.250805 0.125202 Sr\n0.249714 0.248208 0.224971 Sr\n0.252102 0.251337 0.324720 Sr\n0.249324 0.251574 0.424628 Sr\n0.252040 0.253162 0.524122 Sr\n0.747737 0.749163 0.075245 La\n0.750129 0.751159 0.175112 La\n0.752053 0.750019 0.274748 La\n0.748895 0.750505 0.374689 La\n0.254399 0.249352 0.624510 La\n0.752466 0.753500 0.474088 La\n0.247833 0.249641 0.725061 La\n0.750373 0.749445 0.574515 La\n0.254077 0.252861 0.824271 La\n0.754653 0.755888 0.673368 La\n0.243938 0.236589 0.928069 La\n0.746347 0.748038 0.776026 La\n0.748194 0.745600 0.875825 La\n0.747795 0.747197 0.976269 La\n0.000744 0.995814 0.000508 Mn\n0.000516 0.000552 0.099830 Mn\n-0.000053 0.999454 0.199865 Mn\n0.501165 0.499119 0.050159 Mn\n-0.000297 0.000588 0.299990 Mn\n0.499029 0.500279 0.150022 Mn\n0.001551 0.001673 0.399465 Mn\n0.500289 0.499931 0.249897 Mn\n-0.001835 0.000026 0.500162 Mn\n0.499982 0.502361 0.349765 Mn\n0.998081 0.004054 0.599787 Mn\n0.500355 0.499213 0.450028 Mn\n0.001376 -0.000438 0.699936 Mn\n0.502069 0.501494 0.549495 Mn\n0.000246 -0.000393 0.900025 Mn\n0.501539 0.499631 0.749890 Mn\n0.496794 0.500409 0.850344 Mn\n-0.001663 0.997180 0.800616 Cu\n0.497986 0.498773 0.650620 Cu\n0.499071 0.498161 0.950365 Cu\n0.188531 0.749973 0.031092 O\n0.311983 0.193868 0.074361 O\n0.254191 0.704816 0.079173 O\n0.749530 0.309434 0.019058 O\n0.194523 0.750374 0.130625 O\n0.702165 0.798542 0.024743 O\n0.307038 0.189267 0.175250 O\n0.796358 0.255033 0.069953 O\n0.246938 0.704798 0.179559 O\n0.748781 0.305957 0.119331 O\n0.190812 0.750276 0.230671 O\n0.708080 0.791608 0.124811 O\n0.308092 0.193155 0.274918 O\n0.793111 0.247747 0.170765 O\n0.249790 0.708830 0.278999 O\n0.751860 0.307465 0.219069 O\n0.192490 0.748494 0.330844 O\n0.705137 0.794308 0.224647 O\n0.310594 0.193084 0.374593 O\n0.791494 0.250927 0.270723 O\n0.252117 0.706908 0.379169 O\n0.749201 0.310966 0.319149 O\n0.194081 0.753423 0.430274 O\n0.705525 0.794824 0.325235 O\n0.305031 0.190894 0.475606 O\n0.795735 0.252133 0.370253 O\n0.246328 0.707472 0.479463 O\n0.751985 0.304596 0.419081 O\n0.189190 0.748534 0.531545 O\n0.710519 0.792510 0.424936 O\n0.311415 0.188457 0.575976 O\n0.790428 0.246969 0.471094 O\n0.249243 0.689404 0.581249 O\n0.746138 0.313824 0.519160 O\n0.184350 0.758610 0.630249 O\n0.699592 0.795909 0.526235 O\n0.310053 0.172325 0.676710 O\n0.797339 0.249734 0.570285 O\n0.240444 0.686644 0.683008 O\n0.761281 0.307156 0.618076 O\n0.177661 0.752588 0.732104 O\n0.694931 0.819058 0.624767 O\n0.324105 0.191109 0.773751 O\n0.827208 0.233843 0.669182 O\n0.260927 0.680172 0.780565 O\n0.752258 0.320726 0.717707 O\n0.186999 0.737040 0.832990 O\n0.683116 0.818764 0.724870 O\n0.317960 0.182078 0.874351 O\n0.809414 0.258366 0.767707 O\n0.253614 0.676782 0.882111 O\n0.737165 0.324368 0.819362 O\n0.179212 0.762537 0.930182 O\n0.671608 0.809620 0.826328 O\n0.304989 0.180551 0.974903 O\n0.820879 0.251795 0.867790 O\n0.237363 0.716655 0.979897 O\n0.762317 0.305105 0.917580 O\n0.696764 0.822862 0.922612 O\n0.812049 0.242249 0.970380 O\n",
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"elements": [
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],
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"volume_molar": 7.299079678040536,
"formula_full": "Sr6 La14 Mn17 Cu3 O60",
"formula_reduced": "Sr6La14Mn17(CuO20)3",
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"updated_at": "2021-11-28T01:37:30.435000Z",
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}
]
}