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{
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"structure_string": "Sr2 In4 Rh2\n1.0\n4.340049 0.000000 -0.000000\n-2.170024 5.480688 -0.000000\n0.000000 0.000000 8.157762\nSr In Rh\n2 4 2\ndirect\n0.061145 0.122290 0.750000 Sr\n0.938857 0.877711 0.250000 Sr\n0.347697 0.695393 0.947688 In\n0.652304 0.304607 0.052311 In\n0.652304 0.304607 0.447689 In\n0.347697 0.695393 0.552311 In\n0.781666 0.563331 0.750000 Rh\n0.218335 0.436670 0.250000 Rh\n",
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{
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"structure_string": "Sr2 In4 Pt2\n1.0\n4.505562 0.000000 0.000000\n-2.252781 5.501515 0.000000\n0.000000 -0.000000 8.017627\nSr In Pt\n2 4 2\ndirect\n0.063764 0.127527 0.750000 Sr\n0.936235 0.872472 0.250000 Sr\n0.351482 0.702966 0.947139 In\n0.351482 0.702966 0.552862 In\n0.648517 0.297033 0.052861 In\n0.648517 0.297033 0.447139 In\n0.780274 0.560549 0.750000 Pt\n0.219725 0.439450 0.250000 Pt\n",
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{
"id": "jvasp-17728",
"created_at": "2022-09-04T14:37:33.978909Z",
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"structure_string": "Sr2 In4 Ir2\n1.0\n4.323821 0.000000 0.000000\n-2.161911 5.528356 -0.000000\n0.000000 -0.000000 8.176144\nSr In Ir\n2 4 2\ndirect\n0.062386 0.124772 0.750000 Sr\n0.937614 0.875229 0.250000 Sr\n0.348236 0.696471 0.948335 In\n0.348236 0.696471 0.551664 In\n0.651765 0.303529 0.051665 In\n0.651765 0.303529 0.448335 In\n0.780782 0.561564 0.750000 Ir\n0.219218 0.438436 0.250000 Ir\n",
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"formula_full": "Sr2 In4 Ir2",
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{
"id": "jvasp-17594",
"created_at": "2022-09-04T14:38:19.227090Z",
"updated_at": "2022-09-04T14:38:19.227116Z",
"structure_string": "Sr2 In4\n1.0\n2.531862 -4.385314 0.000000\n2.531862 4.385314 -0.000000\n-0.000000 -0.000000 8.107932\nSr In\n2 4\ndirect\n0.000000 0.000000 0.750000 Sr\n0.000000 0.000000 0.250000 Sr\n0.333333 0.666666 0.953445 In\n0.666666 0.333333 0.453445 In\n0.333333 0.666666 0.546554 In\n0.666666 0.333333 0.046555 In\n",
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"spacegroup": 194
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{
"id": "jvasp-85768",
"created_at": "2022-09-04T14:35:50.048641Z",
"updated_at": "2022-09-04T14:35:50.048662Z",
"structure_string": "Sr8 In8\n1.0\n6.459163 0.030318 -1.285867\n-1.529586 6.275508 -1.285754\n-0.041687 -0.053093 13.525527\nSr In\n8 8\ndirect\n0.715272 0.423001 0.641515 Sr\n0.205801 0.917362 0.152772 Sr\n0.781651 0.074904 0.359739 Sr\n0.303646 0.515008 0.348511 Sr\n0.324700 0.532432 0.859684 Sr\n0.764839 0.054372 0.848538 Sr\n0.166685 0.956028 0.652816 Sr\n0.672803 0.466045 0.141548 Sr\n0.863134 0.622764 0.423520 In\n0.290715 0.043478 0.927328 In\n0.116275 0.364534 0.073981 In\n0.199319 0.440509 0.577742 In\n0.690352 0.950125 0.077775 In\n0.872558 0.613847 0.923475 In\n0.613745 0.866455 0.574011 In\n0.292605 0.040773 0.427300 In\n",
"nsites": 16,
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"elements": [
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"volume": 547.9979757851808,
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"formula_full": "Sr8 In8",
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{
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"created_at": "2022-09-04T14:36:11.917627Z",
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"structure_string": "Sr8 In8\n1.0\n6.456639 0.023790 -1.283659\n-1.535318 6.271540 -1.283727\n-0.039000 -0.049739 13.518822\nSr In\n8 8\ndirect\n0.716434 0.421387 0.641018 Sr\n0.206913 0.915100 0.152645 Sr\n0.781410 0.073940 0.358494 Sr\n0.304017 0.512240 0.346861 Sr\n0.325220 0.530182 0.858484 Sr\n0.763514 0.052769 0.846885 Sr\n0.166337 0.955640 0.652637 Sr\n0.672661 0.465201 0.141014 Sr\n0.864161 0.622014 0.422663 In\n0.290127 0.041109 0.926673 In\n0.115448 0.361949 0.072871 In\n0.200356 0.440040 0.576805 In\n0.691328 0.949130 0.076841 In\n0.873315 0.612928 0.922680 In\n0.613191 0.864170 0.572873 In\n0.292333 0.038834 0.426663 In\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:35:58.437313Z",
"updated_at": "2022-09-04T14:35:58.437334Z",
"structure_string": "Sr2 I2 F2\n1.0\n4.262395 0.000000 0.000000\n0.000000 4.262395 0.000000\n0.000000 0.000000 8.798147\nSr I F\n2 2 2\ndirect\n0.500001 0.000000 0.153364 Sr\n0.000000 0.500001 0.846636 Sr\n0.500001 0.000000 0.665839 I\n0.000000 0.500001 0.334161 I\n0.500001 0.500001 0.000000 F\n0.000000 0.000000 0.000000 F\n",
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"volume": 159.84483267238494,
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"formula_full": "Sr2 I2 F2",
"formula_reduced": "SrIF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
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{
"id": "jvasp-56049",
"created_at": "2022-09-04T14:37:19.562313Z",
"updated_at": "2022-09-04T14:37:19.562342Z",
"structure_string": "Sr4 I8\n1.0\n4.896662 0.000000 0.000000\n-0.000000 8.425202 0.000000\n0.000000 0.000000 12.342198\nSr I\n4 8\ndirect\n0.250000 0.130863 0.170970 Sr\n0.750000 0.630863 0.329030 Sr\n0.250000 0.369137 0.670971 Sr\n0.750000 0.869136 0.829030 Sr\n0.250000 0.373073 0.392778 I\n0.250000 0.882406 0.381020 I\n0.750000 0.382406 0.118980 I\n0.250000 0.617593 0.881020 I\n0.250000 0.126927 0.892778 I\n0.750000 0.873073 0.107222 I\n0.750000 0.117594 0.618980 I\n0.750000 0.626926 0.607222 I\n",
"nsites": 12,
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"elements": [
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"density": 4.4538589572776335,
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"volume": 509.1819016059478,
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"formula_full": "Sr4 I8",
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"spacegroup": 62
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{
"id": "jvasp-108892",
"created_at": "2022-09-04T14:38:02.287841Z",
"updated_at": "2022-09-04T14:38:02.287872Z",
"structure_string": "Sr2 I4\n1.0\n7.669813 0.000000 0.000000\n0.000000 7.669813 0.000000\n-0.000000 -0.000000 4.923060\nSr I\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.300969 0.300969 -0.000000 I\n0.699031 0.699031 -0.000000 I\n0.199031 0.800969 0.500000 I\n0.800969 0.199031 0.500000 I\n",
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{
"id": "jvasp-55630",
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"structure_string": "Sr8 I16\n1.0\n7.900199 0.000000 0.000000\n-0.000000 8.279030 0.000000\n0.000000 0.000000 15.174543\nSr I\n8 16\ndirect\n0.721728 0.552034 0.109243 Sr\n0.221728 0.447966 0.390757 Sr\n0.778272 0.052034 0.890757 Sr\n0.278272 0.947966 0.609243 Sr\n0.278272 0.447966 0.890757 Sr\n0.778272 0.552034 0.609243 Sr\n0.221728 0.947966 0.109243 Sr\n0.721728 0.052034 0.390757 Sr\n0.507121 0.729646 0.463567 I\n0.007121 0.270354 0.036433 I\n0.007121 0.770353 0.463567 I\n0.507121 0.229646 0.036433 I\n0.492879 0.270354 0.536433 I\n0.992879 0.729646 0.963567 I\n0.832244 0.396162 0.299221 I\n0.167756 0.603838 0.700779 I\n0.667756 0.896162 0.700779 I\n0.167756 0.103838 0.799221 I\n0.492879 0.770353 0.963567 I\n0.667756 0.396162 0.799221 I\n0.332244 0.103838 0.299221 I\n0.832244 0.896162 0.200779 I\n0.332244 0.603838 0.200779 I\n0.992879 0.229646 0.536433 I\n",
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{
"id": "jvasp-118506",
"created_at": "2022-09-04T14:38:50.832115Z",
"updated_at": "2022-09-04T14:38:50.832146Z",
"structure_string": "Sr1 H1 Se2\n1.0\n4.436797 -0.000000 -0.000000\n0.000000 4.436797 -0.000000\n0.000000 0.000000 6.075909\nSr H Se\n1 1 2\ndirect\n0.500000 0.500000 0.444644 Sr\n0.000000 0.000000 0.188895 H\n0.000000 0.000000 0.434742 Se\n0.500000 0.500000 0.941720 Se\n",
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{
"id": "jvasp-118504",
"created_at": "2022-09-04T14:38:51.059760Z",
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"structure_string": "Sr1 H1 Se1\n1.0\n5.025273 -0.000000 -0.000000\n-2.512636 4.352014 0.000000\n-0.000000 0.000000 5.092352\nSr H Se\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 H\n0.333332 0.666666 0.000000 Se\n",
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}