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{
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{
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"structure_string": "Na2 Nd2 Ti2 O8\n1.0\n3.759209 0.000000 0.000000\n0.000000 3.759209 0.000000\n0.000000 0.000000 13.098584\nNa Nd Ti O\n2 2 2 8\ndirect\n0.500000 0.000000 0.583517 Na\n0.000000 0.500000 0.416483 Na\n0.000000 0.500000 0.108070 Nd\n0.500000 0.000000 0.891930 Nd\n0.500000 0.000000 0.271140 Ti\n0.000000 0.500000 0.728860 Ti\n0.000000 0.500000 0.930532 O\n0.500000 0.000000 0.069468 O\n0.000000 0.500000 0.594098 O\n0.500000 0.000000 0.405902 O\n0.000000 0.000000 0.233865 O\n0.500000 0.500000 0.233865 O\n0.000000 0.000000 0.766135 O\n0.500000 0.500000 0.766135 O\n",
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{
"id": "mp-1304218",
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"structure_string": "Li6 Mg2 Ni6 O16\n1.0\n-4.256436 -2.430258 0.050511\n4.274966 -4.177160 4.804072\n-1.555005 5.810468 4.887539\nLi Mg Ni O\n6 2 6 16\ndirect\n0.995444 0.883569 0.619189 Li\n0.995434 0.383555 0.119192 Li\n0.502037 0.505797 0.998784 Li\n0.502015 0.005803 0.498780 Li\n0.502394 0.737554 0.768602 Li\n0.502302 0.237548 0.268576 Li\n0.498850 0.126107 0.874983 Mg\n0.498817 0.626103 0.374988 Mg\n0.998284 0.753673 0.248743 Ni\n0.998298 0.253696 0.748754 Ni\n0.499710 0.877024 0.129309 Ni\n0.499756 0.377025 0.629314 Ni\n0.997770 0.002184 0.003106 Ni\n0.997781 0.502199 0.503102 Ni\n0.207929 0.244030 0.979299 O\n0.207793 0.744006 0.479257 O\n0.773531 0.520453 0.247312 O\n0.773624 0.020419 0.747353 O\n0.257974 0.154065 0.642488 O\n0.257856 0.654048 0.142449 O\n0.741655 0.863995 0.347801 O\n0.741655 0.364005 0.847815 O\n0.759245 0.771804 0.026859 O\n0.759223 0.271815 0.526850 O\n0.253710 0.478027 0.742845 O\n0.253671 0.977977 0.242706 O\n0.262796 0.389666 0.407671 O\n0.262821 0.889674 0.907677 O\n0.734303 0.102458 0.111616 O\n0.734242 0.602574 0.611616 O\n",
"nsites": 30,
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"volume": 275.5727248784455,
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"formula_full": "Li6 Mg2 Ni6 O16",
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"spacegroup": 1
},
{
"id": "mp-569905",
"created_at": "2022-09-04T14:42:56.765654Z",
"structure_string": "Na1 La6 Os1 I12\n1.0\n6.042287 -8.198035 0.000000\n6.042287 8.198035 0.000000\n-5.080616 0.000000 8.826344\nNa La Os I\n1 6 1 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.467451 0.395427 0.190389 La\n0.604573 0.809611 0.532549 La\n0.190389 0.467451 0.395427 La\n0.395427 0.190389 0.467451 La\n0.532549 0.604573 0.809611 La\n0.809611 0.532549 0.604573 La\n0.500000 0.500000 0.500000 Os\n0.119805 0.348257 0.040526 I\n0.959474 0.880195 0.651743 I\n0.727489 0.184354 0.575313 I\n0.651743 0.959474 0.880195 I\n0.040526 0.119805 0.348257 I\n0.184354 0.575313 0.727489 I\n0.880195 0.651743 0.959474 I\n0.272511 0.815646 0.424687 I\n0.348257 0.040526 0.119805 I\n0.424687 0.272511 0.815646 I\n0.815646 0.424687 0.272511 I\n0.575313 0.727489 0.184354 I\n",
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"density": 4.87951670373645,
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"formula_full": "Na1 La6 Os1 I12",
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{
"id": "mp-1221183",
"created_at": "2022-09-04T14:44:30.016525Z",
"structure_string": "Na8 Nb4 Si16 O53\n1.0\n10.440753 0.000000 0.000000\n-3.823355 11.111192 0.000000\n-3.838603 -4.263976 10.277871\nNa Nb Si O\n8 4 16 53\ndirect\n0.189579 0.490676 0.930279 Na\n0.190933 0.991171 0.430003 Na\n0.810446 0.819572 0.758334 Na\n0.810782 0.320223 0.259114 Na\n0.809067 0.008829 0.569997 Na\n0.810421 0.509324 0.069721 Na\n0.189218 0.679777 0.740886 Na\n0.189554 0.180428 0.241666 Na\n0.073387 0.188694 0.939077 Nb\n0.072874 0.687927 0.440403 Nb\n0.927126 0.312073 0.559597 Nb\n0.926613 0.811306 0.060923 Nb\n0.607521 0.657789 0.407674 Si\n0.606279 0.157621 0.907947 Si\n0.393721 0.842379 0.092053 Si\n0.392479 0.342211 0.592326 Si\n0.815114 0.793344 0.294401 Si\n0.814519 0.293586 0.794813 Si\n0.185069 0.455987 0.456420 Si\n0.185065 0.955463 0.955978 Si\n0.185481 0.706414 0.205187 Si\n0.184886 0.206656 0.705599 Si\n0.814935 0.044537 0.044022 Si\n0.814931 0.544013 0.543580 Si\n0.255234 0.474940 0.225281 Si\n0.254345 0.975061 0.724721 Si\n0.745655 0.024939 0.275279 Si\n0.744766 0.525060 0.774719 Si\n0.826962 0.941712 0.339327 O\n0.826594 0.442024 0.839293 O\n0.173140 0.410592 0.308086 O\n0.172947 0.910182 0.807620 O\n0.173406 0.557976 0.160707 O\n0.173038 0.058288 0.660673 O\n0.827053 0.089818 0.192380 O\n0.826860 0.589408 0.691914 O\n0.241975 0.360534 0.110667 O\n0.242404 0.860994 0.610279 O\n0.757596 0.139006 0.389721 O\n0.758025 0.639466 0.889333 O\n0.790793 0.735874 0.144394 O\n0.790631 0.234394 0.644994 O\n0.206869 0.604666 0.513293 O\n0.209859 0.105595 0.013897 O\n0.209369 0.765606 0.355006 O\n0.209207 0.264126 0.855606 O\n0.790141 0.894405 0.986103 O\n0.793131 0.395334 0.486707 O\n0.663742 0.787153 0.536574 O\n0.658794 0.286635 0.036552 O\n0.341206 0.713365 0.963448 O\n0.336258 0.212847 0.463426 O\n0.426014 0.580644 0.330677 O\n0.425084 0.079939 0.830234 O\n0.574916 0.920061 0.169766 O\n0.573986 0.419356 0.669323 O\n0.972886 0.804848 0.395773 O\n0.972521 0.305166 0.896146 O\n0.027595 0.853880 0.945122 O\n0.028091 0.352108 0.444832 O\n0.027479 0.694834 0.103854 O\n0.027114 0.195152 0.604227 O\n0.971909 0.647892 0.555168 O\n0.972405 0.146120 0.054878 O\n0.935751 0.044785 0.795133 O\n0.936070 0.545309 0.294061 O\n0.063930 0.454691 0.705939 O\n0.064249 0.955215 0.204867 O\n0.669197 0.698143 0.305245 O\n0.669143 0.199623 0.806797 O\n0.330480 0.943452 0.050150 O\n0.330730 0.444523 0.551260 O\n0.330857 0.800377 0.193203 O\n0.330803 0.301857 0.694755 O\n0.669270 0.555477 0.448740 O\n0.669520 0.056548 0.949850 O\n0.476712 0.814982 0.544250 O\n0.463246 0.293162 0.042758 O\n0.536754 0.706838 0.957242 O\n0.523288 0.185018 0.455750 O\n0.500000 0.000000 0.500000 O\n",
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{
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"structure_string": "Dy4 Se4 Cl4 O12\n1.0\n7.022455 0.000000 0.000000\n0.000000 7.298098 0.000000\n0.000000 0.000000 8.887817\nDy Se Cl O\n4 4 4 12\ndirect\n0.750000 0.394699 0.039048 Dy\n0.750000 0.894699 0.460952 Dy\n0.250000 0.605301 0.960952 Dy\n0.250000 0.105301 0.539048 Dy\n0.750000 0.290713 0.632619 Se\n0.250000 0.709287 0.367381 Se\n0.750000 0.790713 0.867381 Se\n0.250000 0.209287 0.132619 Se\n0.250000 0.442921 0.682050 Cl\n0.750000 0.057079 0.182050 Cl\n0.250000 0.942921 0.817950 Cl\n0.750000 0.557079 0.317950 Cl\n0.927349 0.641576 0.932815 O\n0.572651 0.641576 0.932815 O\n0.750000 0.748297 0.679197 O\n0.072651 0.358424 0.067185 O\n0.072651 0.858424 0.432815 O\n0.250000 0.751703 0.179197 O\n0.927349 0.141576 0.567185 O\n0.250000 0.251703 0.320803 O\n0.427349 0.358424 0.067185 O\n0.572651 0.141576 0.567185 O\n0.750000 0.248297 0.820803 O\n0.427349 0.858424 0.432815 O\n",
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{
"id": "mp-759970",
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"structure_string": "Li16 Mn12 O4 F32\n1.0\n5.249429 0.000000 0.000000\n0.000000 5.714746 0.000000\n0.000000 0.000000 24.520116\nLi Mn O F\n16 12 4 32\ndirect\n0.984228 0.940185 0.569426 Li\n0.984228 0.940185 0.430574 Li\n0.555140 0.992350 0.779780 Li\n0.555140 0.992350 0.220220 Li\n0.055140 0.007650 0.720220 Li\n0.055140 0.007650 0.279780 Li\n0.484228 0.059815 0.069426 Li\n0.484228 0.059815 0.930574 Li\n0.523651 0.401669 0.563101 Li\n0.523651 0.401669 0.436899 Li\n0.929344 0.485972 0.218589 Li\n0.929344 0.485972 0.781411 Li\n0.429344 0.514028 0.718589 Li\n0.429344 0.514028 0.281411 Li\n0.023651 0.598331 0.063101 Li\n0.023651 0.598331 0.936899 Li\n0.453673 0.879856 0.500000 Mn\n0.985934 0.982646 0.135218 Mn\n0.985934 0.982646 0.864782 Mn\n0.485934 0.017354 0.635218 Mn\n0.485934 0.017354 0.364782 Mn\n0.953673 0.120144 0.000000 Mn\n0.091084 0.314987 0.500000 Mn\n0.491440 0.490156 0.141231 Mn\n0.491440 0.490156 0.858769 Mn\n0.991440 0.509844 0.641231 Mn\n0.991440 0.509844 0.358769 Mn\n0.591084 0.685013 0.000000 Mn\n0.309189 0.103688 0.440034 O\n0.309189 0.103688 0.559966 O\n0.809189 0.896312 0.940034 O\n0.809189 0.896312 0.059966 O\n0.291886 0.757336 0.102154 F\n0.291886 0.757336 0.897846 F\n0.745313 0.732720 0.179833 F\n0.745313 0.732720 0.820167 F\n0.339001 0.991596 0.000000 F\n0.199134 0.987028 0.209543 F\n0.199134 0.987028 0.790457 F\n0.699134 0.012972 0.709543 F\n0.699134 0.012972 0.290457 F\n0.839001 0.008404 0.500000 F\n0.245313 0.267280 0.679833 F\n0.245313 0.267280 0.320167 F\n0.791886 0.242664 0.602154 F\n0.791886 0.242664 0.397846 F\n0.231063 0.253283 0.895964 F\n0.231063 0.253283 0.104036 F\n0.739532 0.234847 0.177120 F\n0.739532 0.234847 0.822880 F\n0.178701 0.483575 0.000000 F\n0.280560 0.489008 0.213007 F\n0.280560 0.489008 0.786993 F\n0.202357 0.592509 0.559835 F\n0.202357 0.592509 0.440165 F\n0.702357 0.407491 0.059835 F\n0.702357 0.407491 0.940165 F\n0.780560 0.510992 0.713007 F\n0.780560 0.510992 0.286993 F\n0.678701 0.516425 0.500000 F\n0.239532 0.765153 0.677120 F\n0.239532 0.765153 0.322880 F\n0.731063 0.746717 0.604036 F\n0.731063 0.746717 0.395964 F\n",
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{
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"structure_string": "Ti4 Al2 C1 N1\n1.0\n1.518706 -2.630476 0.000000\n1.518706 2.630476 0.000000\n0.000000 0.000000 13.643711\nTi Al C N\n4 2 1 1\ndirect\n0.666667 0.333333 0.416157 Ti\n0.333333 0.666667 0.583843 Ti\n0.333333 0.666667 0.915652 Ti\n0.666667 0.333333 0.084348 Ti\n0.666667 0.333333 0.748970 Al\n0.333333 0.666667 0.251030 Al\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 N\n",
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{
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{
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}