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{
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"structure_string": "Cr2 Sb2 O8\n1.0\n-3.034075 3.129186 4.323912\n3.034075 -3.129186 4.323912\n3.034075 3.129186 -4.323912\nCr Sb O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.194407 0.729420 0.464986 O\n0.760846 0.734239 0.473392 O\n0.760846 0.287454 0.026608 O\n0.764434 0.729420 0.035014 O\n0.235566 0.270580 0.964986 O\n0.239154 0.265761 0.526608 O\n0.239154 0.712546 0.973392 O\n0.805593 0.270580 0.535014 O\n",
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{
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"structure_string": "Ca1 Y3 P3 O12\n1.0\n0.000000 0.000000 -6.332715\n-3.629104 -5.911122 0.000000\n-3.629104 5.911122 0.000000\nCa Y P O\n1 3 3 12\ndirect\n0.500000 0.000000 0.000000 Ca\n0.317005 0.000000 0.500000 Y\n0.682995 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.819049 0.000000 0.500000 P\n0.180950 0.500000 0.000000 P\n0.500000 0.500000 0.500000 P\n0.670145 0.876780 0.304005 O\n0.028905 0.456879 0.151625 O\n0.348512 0.693362 0.556100 O\n0.670145 0.123220 0.695995 O\n0.028905 0.543121 0.848375 O\n0.348512 0.306638 0.443900 O\n0.651488 0.556100 0.693362 O\n0.329855 0.304005 0.876780 O\n0.971095 0.151625 0.456879 O\n0.651488 0.443900 0.306638 O\n0.329855 0.695995 0.123220 O\n0.971095 0.848375 0.543121 O\n",
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"spacegroup": 21
},
{
"id": "mp-549767",
"created_at": "2022-09-04T14:39:28.412752Z",
"structure_string": "Sr2 Fe1 W1 O6\n1.0\n0.000000 4.017852 4.017852\n4.017852 0.000000 4.017852\n4.017852 4.017852 0.000000\nSr Fe W O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 W\n0.244836 0.755164 0.244836 O\n0.755164 0.244836 0.755164 O\n0.244836 0.244836 0.755164 O\n0.755164 0.755164 0.244836 O\n0.244836 0.755164 0.755164 O\n0.755164 0.244836 0.244836 O\n",
"nsites": 10,
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"volume": 129.7214520323432,
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"formula_full": "Sr2 Fe1 W1 O6",
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{
"id": "mp-721287",
"created_at": "2022-09-04T14:39:28.412674Z",
"structure_string": "Na6 As2 H28 S2 O20\n1.0\n12.742143 0.000000 0.000000\n0.000000 6.774736 0.000000\n0.000000 0.512339 7.087587\nNa As H S O\n6 2 28 2 20\ndirect\n0.238690 0.199580 0.799796 Na\n0.738690 0.800420 0.200204 Na\n0.131788 0.202979 0.326146 Na\n0.631788 0.797021 0.673854 Na\n0.493976 0.223271 0.677419 Na\n0.993976 0.776729 0.322581 Na\n0.851077 0.199500 0.806914 As\n0.351077 0.800500 0.193086 As\n0.777479 0.355264 0.415799 H\n0.277479 0.644736 0.584201 H\n0.670380 0.359992 0.302724 H\n0.170380 0.640008 0.697276 H\n0.404184 0.200244 0.054262 H\n0.904184 0.799756 0.945738 H\n0.393629 0.431890 0.979353 H\n0.893629 0.568110 0.020647 H\n0.912896 0.170674 0.406535 H\n0.412896 0.829326 0.593465 H\n0.926122 0.189125 0.183642 H\n0.426122 0.810875 0.816358 H\n0.972188 0.420352 0.536637 H\n0.472188 0.579648 0.463363 H\n0.089063 0.473490 0.588444 H\n0.589063 0.526510 0.411556 H\n0.329702 0.397901 0.427428 H\n0.829702 0.602099 0.572572 H\n0.046626 0.362568 0.981230 H\n0.546626 0.637432 0.018770 H\n0.144294 0.509781 0.014336 H\n0.644294 0.490219 0.985664 H\n0.033211 0.993461 0.688209 H\n0.533211 0.006539 0.311791 H\n0.147397 0.895252 0.690000 H\n0.647397 0.104748 0.310000 H\n0.346048 0.171684 0.379991 H\n0.846048 0.828316 0.620009 H\n0.691103 0.139365 0.890494 S\n0.191103 0.860635 0.109506 S\n0.919541 0.320651 0.972756 O\n0.419541 0.679349 0.027244 O\n0.914865 0.978844 0.767339 O\n0.414865 0.021156 0.232661 O\n0.859106 0.346361 0.594436 O\n0.359106 0.653639 0.405564 O\n0.745022 0.386188 0.288323 O\n0.245022 0.613812 0.711677 O\n0.394839 0.293663 0.939353 O\n0.894839 0.706337 0.060647 O\n0.946233 0.106840 0.301926 O\n0.446233 0.893160 0.698074 O\n0.041170 0.475946 0.480840 O\n0.541170 0.524054 0.519160 O\n0.308904 0.259028 0.466679 O\n0.808904 0.740972 0.533321 O\n0.125317 0.371840 0.996358 O\n0.625317 0.628160 0.003642 O\n0.105351 0.999368 0.624651 O\n0.605351 0.000632 0.375349 O\n",
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],
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"density": 1.9001577294890222,
"density_atomic": 0.09479703191350504,
"volume": 611.8335018433964,
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"formula_full": "Na6 As2 H28 S2 O20",
"formula_reduced": "Na3AsH14SO10",
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"energy": -299.99481702,
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"updated_at": "2021-11-28T01:34:37.946000Z",
"spacegroup": 4
},
{
"id": "mp-1226625",
"created_at": "2022-09-04T14:39:28.411727Z",
"structure_string": "Ce1 Cu1 Si2 Pd1\n1.0\n-2.054497 2.054497 5.039467\n2.054497 -2.054497 5.039467\n2.054497 2.054497 -5.039467\nCe Cu Si Pd\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.617259 0.617259 0.000000 Si\n0.382741 0.382741 0.000000 Si\n0.750000 0.250000 0.500000 Pd\n",
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"formula_full": "Ce1 Cu1 Si2 Pd1",
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{
"id": "mp-1196584",
"created_at": "2022-09-04T14:39:28.411022Z",
"structure_string": "Sc8 H32 N8 F32\n1.0\n13.766098 0.000000 0.000000\n0.000000 7.947831 0.000000\n0.000000 0.000000 8.208060\nSc H N F\n8 32 8 32\ndirect\n0.750375 0.999957 0.625063 Sc\n0.250375 0.500043 0.874937 Sc\n0.249625 0.499957 0.374937 Sc\n0.749625 0.000043 0.125063 Sc\n0.249625 0.000043 0.374937 Sc\n0.749625 0.499957 0.125063 Sc\n0.750375 0.500043 0.625063 Sc\n0.250375 0.999957 0.874937 Sc\n0.537761 0.140755 0.639909 H\n0.037761 0.359245 0.860091 H\n0.462239 0.640755 0.360091 H\n0.962239 0.859245 0.139909 H\n0.462239 0.859245 0.360091 H\n0.962239 0.640755 0.139909 H\n0.537761 0.359245 0.639909 H\n0.037761 0.140755 0.860091 H\n0.444546 0.250000 0.723493 H\n0.944546 0.250000 0.776507 H\n0.555454 0.750000 0.276507 H\n0.055454 0.750000 0.223493 H\n0.459718 0.250000 0.522056 H\n0.959718 0.250000 0.977944 H\n0.540282 0.750000 0.477944 H\n0.040282 0.750000 0.022056 H\n0.041006 0.750000 0.523930 H\n0.541006 0.750000 0.976070 H\n0.958994 0.250000 0.476070 H\n0.458994 0.250000 0.023930 H\n0.963774 0.859265 0.642980 H\n0.463774 0.640735 0.857020 H\n0.036226 0.359265 0.357020 H\n0.536226 0.140735 0.142980 H\n0.036226 0.140735 0.357020 H\n0.536226 0.359265 0.142980 H\n0.963774 0.640735 0.642980 H\n0.463774 0.859265 0.857020 H\n0.057517 0.750000 0.725169 H\n0.557517 0.750000 0.774831 H\n0.942483 0.250000 0.274831 H\n0.442483 0.250000 0.225169 H\n0.495609 0.250000 0.631807 N\n0.995609 0.250000 0.868193 N\n0.504391 0.750000 0.368193 N\n0.004391 0.750000 0.131807 N\n0.005950 0.750000 0.634210 N\n0.505950 0.750000 0.865790 N\n0.994050 0.250000 0.365790 N\n0.494050 0.250000 0.134210 N\n0.780895 0.750000 0.605637 F\n0.280895 0.750000 0.894363 F\n0.219105 0.250000 0.394363 F\n0.719105 0.250000 0.105637 F\n0.606206 0.954741 0.626526 F\n0.106206 0.545259 0.873474 F\n0.393794 0.454741 0.373474 F\n0.893794 0.045259 0.126526 F\n0.393794 0.045259 0.373474 F\n0.893794 0.454741 0.126526 F\n0.606206 0.545259 0.626526 F\n0.106206 0.954741 0.873474 F\n0.894537 0.044780 0.629980 F\n0.394537 0.455220 0.870020 F\n0.105463 0.544780 0.370020 F\n0.605463 0.955220 0.129980 F\n0.105463 0.955220 0.370020 F\n0.605463 0.544780 0.129980 F\n0.894537 0.455220 0.629980 F\n0.394537 0.044780 0.870020 F\n0.720023 0.250000 0.644872 F\n0.220023 0.250000 0.855128 F\n0.279977 0.750000 0.355128 F\n0.779977 0.750000 0.144872 F\n0.750874 0.980288 0.875545 F\n0.250874 0.519712 0.624455 F\n0.249126 0.480288 0.124455 F\n0.749126 0.019712 0.375545 F\n0.249126 0.019712 0.124455 F\n0.749126 0.480288 0.375545 F\n0.750874 0.519712 0.875545 F\n0.250874 0.980288 0.624455 F\n",
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{
"id": "mp-766595",
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"structure_string": "Li12 Ni4 P4 C4 O28\n1.0\n6.301261 0.000000 0.000000\n0.000000 8.606771 0.000000\n0.000000 0.996447 9.636699\nLi Ni P C O\n12 4 4 4 28\ndirect\n0.757925 0.891523 0.361083 Li\n0.742075 0.891523 0.861083 Li\n0.498309 0.721282 0.628361 Li\n0.001691 0.721282 0.128361 Li\n0.252345 0.644178 0.362885 Li\n0.247655 0.644178 0.862885 Li\n0.747655 0.355822 0.637115 Li\n0.752345 0.355822 0.137115 Li\n0.501691 0.278718 0.371639 Li\n0.998309 0.278718 0.871639 Li\n0.242075 0.108477 0.638917 Li\n0.257925 0.108477 0.138917 Li\n0.996390 0.730220 0.622286 Ni\n0.503610 0.730220 0.122286 Ni\n0.003610 0.269780 0.377714 Ni\n0.496390 0.269780 0.877714 Ni\n0.760919 0.592915 0.388495 P\n0.739081 0.592915 0.888495 P\n0.239081 0.407085 0.611505 P\n0.260919 0.407085 0.111505 P\n0.240881 0.959120 0.400887 C\n0.259119 0.959120 0.900887 C\n0.759119 0.040880 0.599113 C\n0.740881 0.040880 0.099113 C\n0.259304 0.935336 0.274291 O\n0.773677 0.896950 0.563299 O\n0.240696 0.935336 0.774291 O\n0.242076 0.844515 0.499129 O\n0.726323 0.896950 0.063299 O\n0.257924 0.844515 0.999129 O\n0.949105 0.692367 0.329915 O\n0.560303 0.683722 0.331621 O\n0.939697 0.683722 0.831621 O\n0.550895 0.692367 0.829915 O\n0.240616 0.576104 0.651911 O\n0.762236 0.586220 0.550519 O\n0.259384 0.576104 0.151911 O\n0.737764 0.586220 0.050519 O\n0.237764 0.413780 0.449481 O\n0.759384 0.423896 0.348089 O\n0.262236 0.413780 0.949481 O\n0.740616 0.423896 0.848089 O\n0.050895 0.307633 0.670085 O\n0.439697 0.316278 0.668379 O\n0.449105 0.307633 0.170085 O\n0.060303 0.316278 0.168379 O\n0.757924 0.155485 0.500871 O\n0.226323 0.103050 0.436701 O\n0.742076 0.155485 0.000871 O\n0.740696 0.064664 0.725709 O\n0.273677 0.103050 0.936701 O\n0.759304 0.064664 0.225709 O\n",
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"formula_full": "Li12 Ni4 P4 C4 O28",
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{
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{
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