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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4337",
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"results": [
{
"id": "jvasp-118435",
"created_at": "2022-09-04T14:38:51.351469Z",
"updated_at": "2022-09-04T14:38:51.351488Z",
"structure_string": "Sr1 H1 I2\n1.0\n4.733208 0.000000 0.000000\n0.000000 4.733208 0.000000\n-0.000000 0.000000 6.304123\nSr H I\n1 1 2\ndirect\n0.500001 0.500001 0.502296 Sr\n0.000000 0.000000 0.002664 H\n0.000000 0.000000 0.502721 I\n0.500001 0.500001 0.002320 I\n",
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"volume": 141.23289385157875,
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{
"id": "jvasp-66438",
"created_at": "2022-09-04T14:36:17.124488Z",
"updated_at": "2022-09-04T14:36:17.124513Z",
"structure_string": "Ba4 Zr1 W1\n1.0\n-0.000000 4.731542 4.731542\n4.731542 0.000000 4.731542\n4.731542 4.731542 0.000000\nBa Zr W\n4 1 1\ndirect\n0.126493 0.624502 0.624502 Ba\n0.624502 0.624502 0.624502 Ba\n0.624502 0.126493 0.624502 Ba\n0.624502 0.624502 0.126493 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 W\n",
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"volume": 211.85469555907534,
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{
"id": "jvasp-3930",
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"structure_string": "K5 Cu1 Sb2\n1.0\n5.636288 -0.001229 8.215333\n2.546317 5.028321 8.215333\n-0.002001 -0.001229 9.962903\nK Cu Sb\n5 1 2\ndirect\n0.500001 0.500000 0.499999 K\n0.364859 0.364858 0.364858 K\n0.635142 0.635141 0.635141 K\n0.217003 0.217003 0.217003 K\n0.782998 0.782997 0.782996 K\n0.000000 0.000000 0.000000 Cu\n0.089400 0.089400 0.089400 Sb\n0.910601 0.910599 0.910598 Sb\n",
"nsites": 8,
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"density_atomic": 0.028318148895342517,
"volume": 282.50434128184696,
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"formula_full": "K5 Cu1 Sb2",
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"formula_anonymous": "AB2C5",
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"spacegroup": 166
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{
"id": "jvasp-66121",
"created_at": "2022-09-04T14:36:17.083177Z",
"updated_at": "2022-09-04T14:36:17.083204Z",
"structure_string": "Ba1 Ti1 Cd1\n1.0\n-0.000000 3.755579 3.755579\n3.755579 -0.000000 3.755579\n3.755579 3.755579 -0.000000\nBa Ti Cd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
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"elements": [
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"Ti",
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"density": 4.66475264209318,
"density_atomic": 0.028317868010592856,
"volume": 105.94017879021793,
"volume_molar": 21.26622229380863,
"formula_full": "Ba1 Ti1 Cd1",
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"spacegroup": 216
},
{
"id": "jvasp-38208",
"created_at": "2022-09-04T14:37:57.887059Z",
"updated_at": "2022-09-04T14:37:57.887090Z",
"structure_string": "Rb3 P1\n1.0\n-2.922869 2.922869 4.133950\n2.922869 -2.922869 4.133950\n2.922869 2.922869 -4.133950\nRb P\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.499999 0.499999 0.000000 Rb\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
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"elements": [
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"chemical_system": "P-Rb",
"density": 3.377982815189914,
"density_atomic": 0.028314968194953126,
"volume": 141.26803789640005,
"volume_molar": 21.268400227528385,
"formula_full": "Rb3 P1",
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"spacegroup": 225
},
{
"id": "jvasp-66552",
"created_at": "2022-09-04T14:36:15.273730Z",
"updated_at": "2022-09-04T14:36:15.273751Z",
"structure_string": "Ba4 Re1 Pd1\n1.0\n-0.000000 4.732154 4.732154\n4.732154 0.000000 4.732154\n4.732154 4.732154 0.000000\nBa Re Pd\n4 1 1\ndirect\n0.124802 0.625065 0.625065 Ba\n0.625065 0.625065 0.625065 Ba\n0.625065 0.124802 0.625065 Ba\n0.625065 0.625065 0.124802 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
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"elements": [
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"Re",
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"density": 6.596613770046046,
"density_atomic": 0.02831031137294442,
"volume": 211.93691305472805,
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"formula_full": "Ba4 Re1 Pd1",
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{
"id": "jvasp-32759",
"created_at": "2022-09-04T14:37:30.581750Z",
"updated_at": "2022-09-04T14:37:30.581766Z",
"structure_string": "Bi8 Br8\n1.0\n4.260515 0.000012 0.482609\n2.106291 6.754354 0.453266\n-0.067624 0.079003 19.638013\nBi Br\n8 8\ndirect\n0.831462 0.340808 0.996260 Bi\n0.168538 0.659191 0.003740 Bi\n0.827814 0.839772 0.504600 Bi\n0.794873 0.257677 0.152607 Bi\n0.205128 0.742321 0.847393 Bi\n0.172186 0.160227 0.495400 Bi\n0.930107 0.791982 0.347777 Bi\n0.069893 0.208017 0.652223 Bi\n0.862545 0.460959 0.813918 Br\n0.561626 0.501642 0.375067 Br\n0.548033 0.021031 0.882864 Br\n0.451968 0.978968 0.117136 Br\n0.438374 0.498357 0.624933 Br\n0.304656 0.077781 0.312897 Br\n0.695344 0.922218 0.687104 Br\n0.137455 0.539039 0.186082 Br\n",
"nsites": 16,
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"elements": [
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"Br"
],
"chemical_system": "Bi-Br",
"density": 6.789006715500562,
"density_atomic": 0.028304992637510653,
"volume": 565.2713005406794,
"volume_molar": 21.27589587152647,
"formula_full": "Bi8 Br8",
"formula_reduced": "BiBr",
"formula_anonymous": "AB",
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"spacegroup": 12
},
{
"id": "jvasp-106415",
"created_at": "2022-09-04T14:36:56.483714Z",
"updated_at": "2022-09-04T14:36:56.483734Z",
"structure_string": "K3 Nd1 Cl6\n1.0\n6.872496 -0.000000 3.967838\n2.290832 6.479452 3.967838\n-0.000000 -0.000000 7.935675\nK Nd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Nd\n0.758654 0.241346 0.241347 Cl\n0.241346 0.241346 0.758654 Cl\n0.241346 0.758653 0.758654 Cl\n0.241346 0.758653 0.241347 Cl\n0.758654 0.241346 0.758654 Cl\n0.758654 0.758653 0.241347 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Nd",
"Cl"
],
"chemical_system": "Cl-K-Nd",
"density": 2.2285597281465472,
"density_atomic": 0.02829849597674953,
"volume": 353.37567085601125,
"volume_molar": 21.280780310543292,
"formula_full": "K3 Nd1 Cl6",
"formula_reduced": "K3NdCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117179",
"created_at": "2022-09-04T14:38:49.684461Z",
"updated_at": "2022-09-04T14:38:49.684485Z",
"structure_string": "Rb6 Na4 Tl13\n1.0\n9.600564 -0.000000 -3.394312\n-4.800282 8.314333 -3.394312\n-0.000000 -0.000000 10.182936\nRb Na Tl\n6 4 13\ndirect\n0.830206 0.330207 0.500000 Rb\n0.169793 0.669793 0.500000 Rb\n0.330207 0.500000 0.830207 Rb\n0.669793 0.500000 0.169794 Rb\n0.500000 0.830206 0.330207 Rb\n0.500000 0.169793 0.669794 Rb\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.098527 0.857068 0.241457 Tl\n0.384389 0.142932 0.241457 Tl\n0.615611 0.857068 0.758543 Tl\n0.241457 0.098527 0.857069 Tl\n0.758542 0.901473 0.142932 Tl\n0.142932 0.241457 0.384389 Tl\n0.758542 0.615611 0.857069 Tl\n0.857068 0.241457 0.098527 Tl\n0.142932 0.758543 0.901474 Tl\n0.901473 0.142932 0.758543 Tl\n0.857068 0.758543 0.615611 Tl\n0.241457 0.384389 0.142932 Tl\n0.000000 0.000000 0.000000 Tl\n",
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"elements": [
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"Na",
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],
"chemical_system": "Na-Rb-Tl",
"density": 6.663500425640909,
"density_atomic": 0.028296365731669475,
"volume": 812.8252305651482,
"volume_molar": 21.282382398881637,
"formula_full": "Rb6 Na4 Tl13",
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"formula_anonymous": "A4B6C13",
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"spacegroup": 204
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{
"id": "jvasp-66466",
"created_at": "2022-09-04T14:36:02.339916Z",
"updated_at": "2022-09-04T14:36:02.339945Z",
"structure_string": "Ba4 Be1 Re1\n1.0\n0.000000 4.732970 4.732970\n4.732970 0.000000 4.732970\n4.732970 4.732970 -0.000000\nBa Be Re\n4 1 1\ndirect\n0.123055 0.625649 0.625649 Ba\n0.625649 0.625649 0.625649 Ba\n0.625649 0.123055 0.625649 Ba\n0.625649 0.625649 0.123055 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Re\n",
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"formula_full": "Ba4 Be1 Re1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-23148",
"created_at": "2022-09-04T14:37:41.605584Z",
"updated_at": "2022-09-04T14:37:41.605609Z",
"structure_string": "Ba6 Sn10\n1.0\n7.167747 0.002738 -0.000000\n-1.423495 7.024975 0.000000\n-0.000000 -0.000000 11.229393\nBa Sn\n6 10\ndirect\n0.706351 0.293649 0.500000 Ba\n0.293648 0.706351 0.000000 Ba\n0.293648 0.706351 0.500000 Ba\n0.706351 0.293649 0.000000 Ba\n0.853696 0.853696 0.750000 Ba\n0.146304 0.146304 0.250000 Ba\n0.804785 0.804785 0.440315 Sn\n0.195215 0.195215 0.940315 Sn\n0.804785 0.804785 0.059684 Sn\n0.195215 0.195215 0.559684 Sn\n0.020150 0.407677 0.750000 Sn\n0.979850 0.592323 0.250000 Sn\n0.547251 0.547251 0.250000 Sn\n0.452749 0.452748 0.750000 Sn\n0.592323 0.979850 0.250000 Sn\n0.407677 0.020150 0.750000 Sn\n",
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"volume": 565.4801267648377,
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"formula_full": "Ba6 Sn10",
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},
{
"id": "jvasp-2859",
"created_at": "2022-09-04T14:37:03.556030Z",
"updated_at": "2022-09-04T14:37:03.556040Z",
"structure_string": "K4 Hg1 P2\n1.0\n5.408033 0.026596 7.953928\n2.467508 4.812371 7.953928\n0.043286 0.026596 9.618208\nK Hg P\n4 1 2\ndirect\n0.207386 0.207386 0.207386 K\n0.792614 0.792615 0.792614 K\n0.389333 0.389334 0.389333 K\n0.610667 0.610668 0.610667 K\n0.000000 0.000000 0.000000 Hg\n0.089244 0.089245 0.089244 P\n0.910756 0.910757 0.910755 P\n",
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}
]
}