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{
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"structure_string": "Li4 V2 P8 H24 O36\n1.0\n11.543071 0.000000 0.000000\n0.000000 8.141215 0.000000\n0.000000 3.863727 8.090425\nLi V P H O\n4 2 8 24 36\ndirect\n0.750000 0.976088 0.575146 Li\n0.250000 0.750335 0.908778 Li\n0.750000 0.249665 0.091222 Li\n0.250000 0.023912 0.424854 Li\n0.750000 0.528406 0.739208 V\n0.250000 0.471594 0.260792 V\n0.486801 0.712136 0.643354 P\n0.013199 0.712136 0.643354 P\n0.500400 0.694962 0.161648 P\n0.999600 0.694962 0.161648 P\n0.000400 0.305038 0.838352 P\n0.499600 0.305038 0.838352 P\n0.986801 0.287864 0.356646 P\n0.513199 0.287864 0.356646 P\n0.817248 0.940344 0.865912 H\n0.682752 0.940344 0.865912 H\n0.490752 0.749058 0.872973 H\n0.009248 0.749058 0.872973 H\n0.818318 0.605677 0.995302 H\n0.681682 0.605677 0.995302 H\n0.817896 0.915453 0.281821 H\n0.682104 0.915453 0.281821 H\n0.482788 0.824248 0.335614 H\n0.017212 0.824248 0.335614 H\n0.183421 0.584120 0.495394 H\n0.316579 0.584120 0.495394 H\n0.816579 0.415880 0.504606 H\n0.683421 0.415880 0.504606 H\n0.982788 0.175752 0.664386 H\n0.517212 0.175752 0.664386 H\n0.317896 0.084547 0.718179 H\n0.182104 0.084547 0.718179 H\n0.318318 0.394323 0.004698 H\n0.181682 0.394323 0.004698 H\n0.990752 0.250942 0.127027 H\n0.509248 0.250942 0.127027 H\n0.317248 0.059656 0.134088 H\n0.182752 0.059656 0.134088 H\n0.431386 0.751610 0.785420 O\n0.068614 0.751610 0.785420 O\n0.750000 0.988265 0.281904 O\n0.250000 0.019497 0.207561 O\n0.416055 0.809535 0.486522 O\n0.083945 0.809535 0.486522 O\n0.883105 0.737988 0.634077 O\n0.616895 0.737988 0.634077 O\n0.750000 0.538855 0.980323 O\n0.533002 0.832078 0.235913 O\n0.966998 0.832078 0.235913 O\n0.458162 0.498033 0.693361 O\n0.041838 0.498033 0.693361 O\n0.925554 0.738796 0.008423 O\n0.574446 0.738796 0.008423 O\n0.372000 0.685767 0.133281 O\n0.128000 0.685767 0.133281 O\n0.250000 0.515094 0.484736 O\n0.750000 0.484906 0.515264 O\n0.628000 0.314233 0.866719 O\n0.872000 0.314233 0.866719 O\n0.425554 0.261204 0.991577 O\n0.074446 0.261204 0.991577 O\n0.958162 0.501967 0.306639 O\n0.541838 0.501967 0.306639 O\n0.466998 0.167922 0.764087 O\n0.033002 0.167922 0.764087 O\n0.250000 0.461145 0.019677 O\n0.116895 0.262012 0.365923 O\n0.383105 0.262012 0.365923 O\n0.916055 0.190465 0.513478 O\n0.583945 0.190465 0.513478 O\n0.750000 0.980503 0.792439 O\n0.250000 0.011735 0.718096 O\n0.931386 0.248390 0.214580 O\n0.568614 0.248390 0.214580 O\n",
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"formula_full": "Li4 V2 P8 H24 O36",
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"spacegroup": 11
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{
"id": "mp-1190548",
"created_at": "2022-09-04T14:39:16.351638Z",
"structure_string": "Na4 U4 O14\n1.0\n3.943349 6.590428 0.000000\n-3.943349 6.590428 0.000000\n0.000000 2.417984 6.482266\nNa U O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.741423 0.258577 0.500000 Na\n0.258577 0.741423 0.500000 Na\n0.000000 0.500000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.243504 0.243504 0.539148 U\n0.756496 0.756496 0.460852 U\n0.228939 0.228939 0.883575 O\n0.771061 0.771061 0.116425 O\n0.961110 0.558306 0.679741 O\n0.558306 0.961110 0.679741 O\n0.038890 0.441694 0.320259 O\n0.441694 0.038890 0.320259 O\n0.178460 0.626976 0.904025 O\n0.626976 0.178460 0.904025 O\n0.821540 0.373024 0.095975 O\n0.373024 0.821540 0.095975 O\n0.908994 0.908994 0.362633 O\n0.091006 0.091006 0.637367 O\n0.395135 0.395135 0.440679 O\n0.604865 0.604865 0.559321 O\n",
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"formula_full": "Na4 U4 O14",
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{
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"structure_string": "Yb4 Sb2 O1\n1.0\n-2.324002 2.324002 8.094657\n2.324002 -2.324002 8.094657\n2.324002 2.324002 -8.094657\nYb Sb O\n4 2 1\ndirect\n0.500000 0.000000 0.500000 Yb\n0.663119 0.663119 0.000000 Yb\n0.336881 0.336881 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n0.139332 0.139332 0.000000 Sb\n0.860668 0.860668 0.000000 Sb\n0.500000 0.500000 0.000000 O\n",
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"spacegroup": 139
},
{
"id": "mp-1218398",
"created_at": "2022-09-04T14:39:48.492887Z",
"structure_string": "Sr1 Bi3 Cl3 O4\n1.0\n-1.988704 1.988704 13.832272\n1.988704 -1.988704 13.832272\n1.988704 1.988704 -13.832272\nSr Bi Cl O\n1 3 3 4\ndirect\n0.666275 0.666275 0.000000 Sr\n0.929303 0.929303 0.000000 Bi\n0.075398 0.075398 0.000000 Bi\n0.338224 0.338224 0.000000 Bi\n0.484457 0.484457 0.000000 Cl\n0.795010 0.795010 0.000000 Cl\n0.216979 0.216979 0.000000 Cl\n0.885917 0.385917 0.500000 O\n0.385917 0.885917 0.500000 O\n0.111261 0.611261 0.500000 O\n0.611261 0.111261 0.500000 O\n",
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"formula_full": "Sr1 Bi3 Cl3 O4",
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},
{
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"created_at": "2022-09-04T14:39:31.923002Z",
"structure_string": "K1 Na1 Nb2 O6\n1.0\n2.879296 0.000000 2.889863\n2.884903 -4.002640 -2.895499\n2.884903 4.002640 -2.895499\nK Na Nb O\n1 1 2 6\ndirect\n0.498339 0.000523 0.500523 K\n0.502668 0.498941 0.998941 Na\n0.985579 0.007617 0.008010 Nb\n0.985579 0.508010 0.507617 Nb\n0.023451 0.239371 0.739371 O\n0.024520 0.736502 0.236502 O\n0.013765 0.243213 0.237008 O\n0.013765 0.737008 0.743213 O\n0.519257 0.993070 0.992655 O\n0.519257 0.492655 0.493070 O\n",
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"formula_full": "K1 Na1 Nb2 O6",
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{
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"structure_string": "Cs2 Na1 Ru1 F6\n1.0\n0.000000 4.452680 4.452680\n4.452680 0.000000 4.452680\n4.452680 4.452680 0.000000\nCs Na Ru F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ru\n0.770365 0.229635 0.229635 F\n0.229635 0.229635 0.770365 F\n0.229635 0.770365 0.770365 F\n0.229635 0.770365 0.229635 F\n0.770365 0.229635 0.770365 F\n0.770365 0.770365 0.229635 F\n",
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"formula_full": "Cs2 Na1 Ru1 F6",
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{
"id": "mp-1221321",
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"structure_string": "Na6 Sr3 Si6 O18\n1.0\n5.456590 5.517332 0.000000\n-5.456590 5.517332 0.000000\n0.000000 0.301111 7.751071\nNa Sr Si O\n6 3 6 18\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 Na\n0.252535 0.252535 0.267588 Na\n0.747465 0.747465 0.732412 Na\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.260038 0.712034 0.711606 Si\n0.713588 0.713588 0.263634 Si\n0.712034 0.260038 0.711606 Si\n0.739962 0.287966 0.288394 Si\n0.286412 0.286412 0.736366 Si\n0.287966 0.739962 0.288394 Si\n0.076404 0.773990 0.792751 O\n0.782426 0.782426 0.074856 O\n0.773990 0.076404 0.792751 O\n0.923596 0.226010 0.207249 O\n0.217574 0.217574 0.925144 O\n0.226010 0.923596 0.207249 O\n0.253296 0.746704 0.500000 O\n0.746416 0.501160 0.252732 O\n0.498840 0.253584 0.747268 O\n0.253584 0.498840 0.747268 O\n0.501160 0.746416 0.252732 O\n0.746704 0.253296 0.500000 O\n0.437470 0.786390 0.783494 O\n0.788383 0.788383 0.436809 O\n0.786390 0.437470 0.783494 O\n0.562530 0.213610 0.216506 O\n0.211617 0.211617 0.563191 O\n0.213610 0.562530 0.216506 O\n",
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"formula_full": "Na6 Sr3 Si6 O18",
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{
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"structure_string": "Pr2 Ga2 Co15\n1.0\n4.779011 -4.229764 0.000000\n4.779011 4.229764 0.000000\n1.035368 0.000000 6.297449\nPr Ga Co\n2 2 15\ndirect\n0.648729 0.648729 0.648729 Pr\n0.351271 0.351271 0.351271 Pr\n0.893870 0.893870 0.893870 Ga\n0.106130 0.106130 0.106130 Ga\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.714157 0.285843 0.000000 Co\n0.000000 0.714157 0.285843 Co\n0.285843 0.000000 0.714157 Co\n0.000000 0.285843 0.714157 Co\n0.714157 0.000000 0.285843 Co\n0.285843 0.714157 0.000000 Co\n0.347880 0.347880 0.849325 Co\n0.849325 0.347880 0.347880 Co\n0.347880 0.849325 0.347880 Co\n0.652120 0.652120 0.150675 Co\n0.150675 0.652120 0.652120 Co\n0.652120 0.150675 0.652120 Co\n",
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{
"id": "mp-766140",
"created_at": "2022-09-04T14:39:09.780519Z",
"structure_string": "K8 Li14 Mn4 O16\n1.0\n5.702699 0.000000 0.000000\n-0.001955 8.975290 0.000000\n-1.519305 -0.005684 10.821752\nK Li Mn O\n8 14 4 16\ndirect\n0.087092 0.005660 0.837067 K\n0.131559 0.756700 0.370340 K\n0.421831 0.501958 0.659762 K\n0.625646 0.747330 0.859756 K\n0.382240 0.252203 0.122656 K\n0.587216 0.500447 0.337200 K\n0.890258 0.252254 0.632964 K\n0.920007 0.003897 0.158430 K\n0.007131 0.507784 0.502096 Li\n0.096472 0.748152 0.693247 Li\n0.317715 0.482391 0.926504 Li\n0.190291 0.982832 0.572640 Li\n0.072840 0.478015 0.202257 Li\n0.414767 0.248951 0.808986 Li\n0.494751 0.989929 0.997238 Li\n0.576484 0.014635 0.696308 Li\n0.435453 0.980298 0.298286 Li\n0.597513 0.756082 0.193884 Li\n0.806599 0.012133 0.435501 Li\n0.932502 0.511385 0.804652 Li\n0.700944 0.511149 0.063724 Li\n0.912609 0.255641 0.307628 Li\n0.343667 0.209312 0.449294 Mn\n0.839437 0.279248 0.948753 Mn\n0.163513 0.707152 0.051407 Mn\n0.669142 0.781950 0.551708 Mn\n0.123878 0.318592 0.859185 O\n0.150326 0.688072 0.876936 O\n0.135981 0.055319 0.383691 O\n0.154310 0.410228 0.390986 O\n0.363941 0.188093 0.624302 O\n0.382192 0.819267 0.639685 O\n0.629948 0.455246 0.880731 O\n0.347976 0.905997 0.114140 O\n0.368281 0.550900 0.115268 O\n0.637596 0.083413 0.884426 O\n0.603038 0.182918 0.357384 O\n0.641676 0.818188 0.364405 O\n0.867337 0.587776 0.621870 O\n0.876283 0.959381 0.618672 O\n0.868236 0.317487 0.136323 O\n0.901314 0.681845 0.141730 O\n",
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