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{
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{
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{
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"structure_string": "Tm2 Bi2 O6\n1.0\n5.314893 -2.974748 0.000000\n5.314893 2.974748 0.000000\n3.649925 0.000000 4.875987\nTm Bi O\n2 2 6\ndirect\n0.142997 0.142997 0.142997 Tm\n0.857003 0.857003 0.857003 Tm\n0.357922 0.357922 0.357922 Bi\n0.642078 0.642078 0.642078 Bi\n0.785553 0.010712 0.454302 O\n0.989288 0.545698 0.214447 O\n0.545698 0.214447 0.989288 O\n0.454302 0.785553 0.010712 O\n0.010712 0.454302 0.785553 O\n0.214447 0.989288 0.545698 O\n",
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{
"id": "mp-23615",
"created_at": "2022-09-04T14:41:05.621369Z",
"structure_string": "Si4 Bi28 Ir2 I24\n1.0\n10.575871 0.000000 0.000000\n0.000000 10.575871 0.000000\n0.000000 0.000000 20.743887\nSi Bi Ir I\n4 28 2 24\ndirect\n0.500000 0.500000 0.908136 Si\n0.500000 0.500000 0.591864 Si\n0.500000 0.500000 0.091864 Si\n0.500000 0.500000 0.408136 Si\n0.304460 0.415348 0.819380 Bi\n0.695540 0.584652 0.819380 Bi\n0.415348 0.304460 0.680620 Bi\n0.415348 0.695540 0.819380 Bi\n0.584652 0.304460 0.819380 Bi\n0.695540 0.415348 0.680620 Bi\n0.304460 0.584652 0.680620 Bi\n0.584652 0.695540 0.680620 Bi\n0.695540 0.584652 0.180620 Bi\n0.304460 0.415348 0.180620 Bi\n0.584652 0.695540 0.319380 Bi\n0.584652 0.304460 0.180620 Bi\n0.415348 0.695540 0.180620 Bi\n0.304460 0.584652 0.319380 Bi\n0.695540 0.415348 0.319380 Bi\n0.415348 0.304460 0.319380 Bi\n0.000000 0.000000 0.629712 Bi\n0.000000 0.000000 0.870288 Bi\n0.000000 0.000000 0.370288 Bi\n0.000000 0.000000 0.129712 Bi\n0.940746 0.750958 0.500000 Bi\n0.059254 0.249042 0.500000 Bi\n0.750958 0.940746 0.000000 Bi\n0.750958 0.059254 0.500000 Bi\n0.249042 0.940746 0.500000 Bi\n0.059254 0.750958 0.000000 Bi\n0.940746 0.249042 0.000000 Bi\n0.249042 0.059254 0.000000 Bi\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.215392 0.630383 0.500000 I\n0.784608 0.369617 0.500000 I\n0.630383 0.215392 0.000000 I\n0.630383 0.784608 0.500000 I\n0.369617 0.215392 0.500000 I\n0.784608 0.630383 0.000000 I\n0.215392 0.369617 0.000000 I\n0.369617 0.784608 0.000000 I\n0.070211 0.295630 0.652821 I\n0.929789 0.704370 0.652821 I\n0.295630 0.070211 0.847179 I\n0.295630 0.929789 0.652821 I\n0.704370 0.070211 0.652821 I\n0.929789 0.295630 0.847179 I\n0.070211 0.704370 0.847179 I\n0.704370 0.929789 0.847179 I\n0.929789 0.704370 0.347179 I\n0.070211 0.295630 0.347179 I\n0.704370 0.929789 0.152821 I\n0.704370 0.070211 0.347179 I\n0.295630 0.929789 0.347179 I\n0.070211 0.704370 0.152821 I\n0.929789 0.295630 0.152821 I\n0.295630 0.070211 0.152821 I\n",
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"density": 6.72317160610642,
"density_atomic": 0.02499801739320619,
"volume": 2320.1840005024915,
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"formula_full": "Si4 Bi28 Ir2 I24",
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{
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"structure_string": "Y1 Fe1 O3\n1.0\n3.883222 0.000000 0.000000\n0.000000 3.883222 0.000000\n0.000000 0.000000 3.883222\nY Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:41:05.639927Z",
"structure_string": "Nd12 Fe26 Sn2\n1.0\n-4.033952 4.033952 11.751523\n4.033952 -4.033952 11.751523\n4.033952 4.033952 -11.751523\nNd Fe Sn\n12 26 2\ndirect\n0.479523 0.651300 0.500000 Nd\n0.395651 0.395651 0.000000 Nd\n0.895651 0.895651 0.000000 Nd\n0.604349 0.604349 0.000000 Nd\n0.520477 0.348700 0.500000 Nd\n0.104349 0.104349 0.000000 Nd\n0.151300 0.979523 0.500000 Nd\n0.979523 0.479523 0.828223 Nd\n0.651300 0.151300 0.171777 Nd\n0.348700 0.848700 0.828223 Nd\n0.020477 0.520477 0.171777 Nd\n0.848700 0.020477 0.500000 Nd\n0.206438 0.479887 0.500000 Fe\n0.020113 0.293562 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.433606 0.709571 0.143177 Fe\n0.209571 0.933606 0.143177 Fe\n0.790429 0.066394 0.856823 Fe\n0.066394 0.209571 0.275966 Fe\n0.933606 0.790429 0.724034 Fe\n0.709571 0.566394 0.275966 Fe\n0.290429 0.433606 0.724034 Fe\n0.566394 0.290429 0.856823 Fe\n0.737275 0.879462 0.500000 Fe\n0.793562 0.520113 0.500000 Fe\n0.237275 0.737275 0.857813 Fe\n0.762725 0.262725 0.142187 Fe\n0.120538 0.620538 0.857813 Fe\n0.262725 0.120538 0.500000 Fe\n0.620538 0.762725 0.500000 Fe\n0.379462 0.237275 0.500000 Fe\n0.879462 0.379462 0.142187 Fe\n0.479887 0.979887 0.273450 Fe\n0.706438 0.206438 0.726550 Fe\n0.293562 0.793562 0.273450 Fe\n0.520113 0.020113 0.726550 Fe\n0.979887 0.706438 0.500000 Fe\n0.750000 0.750000 0.000000 Sn\n0.250000 0.250000 0.000000 Sn\n",
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{
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{
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{
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"structure_string": "Fe3 Ni2 Sb1 P6 O24\n1.0\n7.328145 -4.317338 0.000000\n7.328145 4.317338 0.000000\n4.784607 0.000000 7.031973\nFe Ni Sb P O\n3 2 1 6 24\ndirect\n0.145324 0.145324 0.145324 Fe\n0.355350 0.355350 0.355350 Fe\n0.643127 0.643127 0.643127 Fe\n0.006311 0.006311 0.006311 Ni\n0.499534 0.499534 0.499534 Ni\n0.857209 0.857209 0.857209 Sb\n0.450878 0.746015 0.048207 P\n0.746015 0.048207 0.450878 P\n0.048207 0.450878 0.746015 P\n0.952480 0.541129 0.253393 P\n0.253393 0.952480 0.541129 P\n0.541129 0.253393 0.952480 P\n0.509526 0.312237 0.110347 O\n0.110347 0.509526 0.312237 O\n0.258242 0.909640 0.059230 O\n0.312237 0.110347 0.509526 O\n0.611543 0.814627 0.011782 O\n0.440741 0.590047 0.244671 O\n0.909640 0.059230 0.258242 O\n0.590047 0.244671 0.440741 O\n0.994095 0.390881 0.178827 O\n0.244671 0.440741 0.590047 O\n0.939921 0.745472 0.086961 O\n0.178827 0.994095 0.390881 O\n0.814627 0.011782 0.611543 O\n0.059230 0.258242 0.909640 O\n0.753882 0.562074 0.406774 O\n0.011782 0.611543 0.814627 O\n0.406774 0.753882 0.562074 O\n0.086961 0.939921 0.745472 O\n0.562074 0.406774 0.753882 O\n0.390881 0.178827 0.994095 O\n0.680939 0.888592 0.499994 O\n0.745472 0.086961 0.939921 O\n0.888592 0.499994 0.680939 O\n0.499994 0.680939 0.888592 O\n",
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{
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{
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}