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{
"id": "mp-1226788",
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"structure_string": "Cd2 Ge2 As2 P2\n1.0\n-2.947913 2.972904 5.621362\n2.947913 -2.972904 5.621362\n2.947913 2.972904 -5.621362\nCd Ge As P\n2 2 2 2\ndirect\n0.869700 0.619700 0.250000 Cd\n0.630300 0.880300 0.750000 Cd\n0.369870 0.119870 0.250000 Ge\n0.130130 0.380130 0.750000 Ge\n0.250000 0.473127 0.223127 As\n0.750000 0.026873 0.276873 As\n0.467074 0.250000 0.717074 P\n0.032926 0.750000 0.782926 P\n",
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{
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"structure_string": "Na2 Li1 Ti3 Al1 P6 O24\n1.0\n8.575212 0.000000 0.000000\n4.277303 7.433833 0.000000\n4.247924 2.460827 7.302217\nNa Li Ti Al P O\n2 1 3 1 6 24\ndirect\n0.004943 0.012178 0.990165 Na\n0.490003 0.496846 0.503762 Na\n0.839454 0.660476 0.249647 Li\n0.638647 0.645229 0.060428 Ti\n0.855222 0.861871 0.437256 Ti\n0.355631 0.356125 0.932499 Ti\n0.144179 0.144979 0.566371 Al\n0.246875 0.529946 0.256343 P\n0.965522 0.251486 0.255076 P\n0.527180 0.967655 0.256055 P\n0.454797 0.040717 0.747521 P\n0.037587 0.756549 0.753121 P\n0.757224 0.457669 0.742246 P\n0.133366 0.283669 0.078102 O\n0.501965 0.134566 0.079704 O\n0.282389 0.503419 0.078755 O\n0.066865 0.713699 0.263162 O\n0.418464 0.564227 0.236631 O\n0.216456 0.362306 0.426283 O\n0.934414 0.082369 0.265487 O\n0.785101 0.434018 0.238493 O\n0.565237 0.777505 0.238995 O\n0.631210 0.004113 0.578135 O\n0.275827 0.062243 0.732183 O\n0.999771 0.785204 0.582735 O\n0.996715 0.218435 0.425471 O\n0.720682 0.932613 0.264572 O\n0.360395 0.999191 0.424971 O\n0.436633 0.220878 0.762400 O\n0.219872 0.580186 0.763434 O\n0.061959 0.930203 0.732761 O\n0.785761 0.630375 0.568887 O\n0.579422 0.436040 0.762300 O\n0.929515 0.277208 0.731423 O\n0.719987 0.497772 0.915417 O\n0.493186 0.867705 0.919969 O\n0.868546 0.719333 0.929237 O\n",
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"formula_full": "Na2 Li1 Ti3 Al1 P6 O24",
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},
{
"id": "mp-8022",
"created_at": "2022-09-04T14:39:07.311946Z",
"structure_string": "Al2 O1\n1.0\n0.000000 2.845710 2.845710\n2.845710 0.000000 2.845710\n2.845710 2.845710 0.000000\nAl O\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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"elements": [
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"density": 2.520648916971109,
"density_atomic": 0.06509075949266424,
"volume": 46.08949140220282,
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"formula_full": "Al2 O1",
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"spacegroup": 225
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{
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"structure_string": "Dy2 S4\n1.0\n0.000000 3.900260 3.900260\n3.900260 0.000000 3.900260\n3.900260 3.900260 0.000000\nDy S\n2 4\ndirect\n0.750000 0.750000 0.750000 Dy\n0.500000 0.500000 0.500000 Dy\n0.125000 0.125000 0.625000 S\n0.125000 0.625000 0.125000 S\n0.125000 0.125000 0.125000 S\n0.625000 0.125000 0.125000 S\n",
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{
"id": "mp-558826",
"created_at": "2022-09-04T14:39:07.317980Z",
"structure_string": "K2 Ho2 Be2 F12\n1.0\n5.841941 0.000000 0.000000\n0.000000 6.423864 0.000000\n0.000000 2.770066 6.522275\nK Ho Be F\n2 2 2 12\ndirect\n0.250000 0.571397 0.795440 K\n0.750000 0.428603 0.204560 K\n0.250000 0.888108 0.180235 Ho\n0.750000 0.111892 0.819765 Ho\n0.250000 0.266895 0.464048 Be\n0.750000 0.733105 0.535952 Be\n0.250000 0.488619 0.262639 F\n0.534463 0.732736 0.404545 F\n0.465537 0.267264 0.595455 F\n0.501523 0.821791 0.965233 F\n0.498477 0.178209 0.034767 F\n0.001523 0.178209 0.034767 F\n0.998477 0.821791 0.965233 F\n0.750000 0.942783 0.591164 F\n0.965537 0.732736 0.404545 F\n0.034463 0.267264 0.595455 F\n0.250000 0.057217 0.408836 F\n0.750000 0.511381 0.737361 F\n",
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"density": 4.437268397120484,
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"volume": 244.76685663319856,
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"formula_full": "K2 Ho2 Be2 F12",
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{
"id": "mp-1359950",
"created_at": "2022-09-04T14:39:07.321405Z",
"structure_string": "Li2 Sn4 P6 O24\n1.0\n8.511247 0.000000 0.000000\n-4.181534 7.415171 0.000000\n-0.024088 -4.896657 7.655725\nLi Sn P O\n2 4 6 24\ndirect\n0.253208 0.068990 0.868712 Li\n0.746792 0.931010 0.131288 Li\n0.655555 0.358182 0.947133 Sn\n0.854820 0.149861 0.567994 Sn\n0.145180 0.850139 0.432006 Sn\n0.344445 0.641818 0.052867 Sn\n0.540257 0.037364 0.753791 P\n0.249269 0.458292 0.751598 P\n0.960181 0.754003 0.745853 P\n0.039819 0.245997 0.254147 P\n0.750731 0.541708 0.248402 P\n0.459743 0.962636 0.246209 P\n0.504415 0.175397 0.793327 O\n0.738711 0.128287 0.733298 O\n0.218257 0.476341 0.896792 O\n0.120725 0.252583 0.741219 O\n0.831672 0.545124 0.798544 O\n0.456606 0.485302 0.792828 O\n0.159308 0.794247 0.890037 O\n0.542268 0.855421 0.918034 O\n0.613458 0.008127 0.409676 O\n0.878716 0.889378 0.730921 O\n0.190982 0.599971 0.573497 O\n0.015991 0.199313 0.428648 O\n0.984009 0.800687 0.571352 O\n0.809018 0.400029 0.426503 O\n0.121284 0.110622 0.269079 O\n0.386542 0.991873 0.590324 O\n0.457732 0.144579 0.081966 O\n0.840692 0.205753 0.109963 O\n0.543394 0.514698 0.207172 O\n0.168328 0.454876 0.201456 O\n0.879275 0.747417 0.258781 O\n0.781743 0.523659 0.103208 O\n0.261289 0.871713 0.266702 O\n0.495585 0.824603 0.206673 O\n",
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"elements": [
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"formula_full": "Li2 Sn4 P6 O24",
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{
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"structure_string": "Na1 Mg14 Ga1 O16\n1.0\n8.542859 0.000000 -0.000000\n0.000000 8.542859 0.000000\n0.000000 0.000000 4.289638\nNa Mg Ga O\n1 14 1 16\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n0.000000 0.244920 0.500000 Mg\n0.000000 0.755080 0.500000 Mg\n0.500000 0.246144 0.500000 Mg\n0.500000 0.753856 0.500000 Mg\n0.244920 -0.000000 0.500000 Mg\n0.246144 0.500000 0.500000 Mg\n0.755080 -0.000000 0.500000 Mg\n0.753856 0.500000 0.500000 Mg\n0.244598 0.244598 -0.000000 Mg\n0.244598 0.755402 -0.000000 Mg\n0.755402 0.244598 0.000000 Mg\n0.755402 0.755402 -0.000000 Mg\n0.500000 0.500000 -0.000000 Ga\n0.266553 -0.000000 -0.000000 O\n0.263658 0.500000 0.000000 O\n0.733447 -0.000000 -0.000000 O\n0.736342 0.500000 -0.000000 O\n0.251462 0.251462 0.500000 O\n0.251462 0.748538 0.500000 O\n0.748538 0.251462 0.500000 O\n0.748538 0.748538 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.266553 -0.000000 O\n0.000000 0.733447 -0.000000 O\n0.500000 0.263658 0.000000 O\n0.500000 0.736342 0.000000 O\n",
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{
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"structure_string": "Cr2 Fe3 Sb1 P6 O24\n1.0\n7.405792 -4.333160 0.000000\n7.405792 4.333160 0.000000\n4.870443 0.000000 7.064051\nCr Fe Sb P O\n2 3 1 6 24\ndirect\n0.995822 0.995822 0.995822 Cr\n0.501762 0.501762 0.501762 Cr\n0.853579 0.853579 0.853579 Fe\n0.643724 0.643724 0.643724 Fe\n0.355500 0.355500 0.355500 Fe\n0.143876 0.143876 0.143876 Sb\n0.253508 0.546745 0.950888 P\n0.745636 0.459970 0.049242 P\n0.459970 0.049242 0.745636 P\n0.049242 0.745636 0.459970 P\n0.950888 0.253508 0.546745 P\n0.546745 0.950888 0.253508 P\n0.899533 0.685104 0.485368 O\n0.685104 0.485368 0.899533 O\n0.940662 0.089749 0.739191 O\n0.485368 0.899533 0.685104 O\n0.990375 0.182794 0.388964 O\n0.753229 0.407019 0.556007 O\n0.739191 0.940662 0.089749 O\n0.556007 0.753229 0.407019 O\n0.818783 0.609910 0.008695 O\n0.407019 0.556007 0.753229 O\n0.911429 0.254347 0.068622 O\n0.609910 0.008695 0.818783 O\n0.388964 0.990375 0.182794 O\n0.089749 0.739191 0.940662 O\n0.592975 0.438064 0.252830 O\n0.182794 0.388964 0.990375 O\n0.438064 0.252830 0.592975 O\n0.254347 0.068622 0.911429 O\n0.252830 0.592975 0.438064 O\n0.008695 0.818783 0.609910 O\n0.497034 0.109064 0.319995 O\n0.068622 0.911429 0.254347 O\n0.319995 0.497034 0.109064 O\n0.109064 0.319995 0.497034 O\n",
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{
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{
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"structure_string": "Na4 Tl8\n1.0\n0.000000 5.765758 5.765758\n5.765758 0.000000 5.765758\n5.765758 5.765758 0.000000\nNa Tl\n4 8\ndirect\n0.125000 0.125000 0.125000 Na\n0.125000 0.125000 0.625000 Na\n0.125000 0.625000 0.125000 Na\n0.625000 0.125000 0.125000 Na\n0.399306 0.399306 0.399306 Tl\n0.399306 0.399306 0.802083 Tl\n0.399306 0.802083 0.399306 Tl\n0.850694 0.850694 0.447917 Tl\n0.850694 0.850694 0.850694 Tl\n0.802083 0.399306 0.399306 Tl\n0.850694 0.447917 0.850694 Tl\n0.447917 0.850694 0.850694 Tl\n",
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