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{
"id": "mp-1246259",
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"structure_string": "Sr2 Mn14 N20\n1.0\n6.957322 0.000000 0.075070\n0.000000 6.837799 0.000000\n-2.582576 0.000000 9.748307\nSr Mn N\n2 14 20\ndirect\n0.896832 0.034512 0.617426 Sr\n0.896832 0.965488 0.117426 Sr\n0.543820 0.008347 0.834040 Mn\n0.543820 0.991653 0.334040 Mn\n0.358144 0.020178 0.013750 Mn\n0.358144 0.979822 0.513750 Mn\n0.100032 0.404969 0.077678 Mn\n0.100032 0.595031 0.577678 Mn\n0.681273 0.385985 0.975932 Mn\n0.681273 0.614015 0.475932 Mn\n0.865964 0.651237 0.814251 Mn\n0.865964 0.348763 0.314251 Mn\n0.306625 0.611795 0.897283 Mn\n0.306625 0.388205 0.397283 Mn\n0.470574 0.375319 0.693214 Mn\n0.470574 0.624681 0.193214 Mn\n0.762075 0.878482 0.842702 N\n0.762075 0.121518 0.342702 N\n0.559388 0.160195 0.983135 N\n0.559388 0.839805 0.483135 N\n0.347545 0.859616 0.867019 N\n0.347545 0.140384 0.367019 N\n0.168351 0.173060 0.029292 N\n0.168351 0.826940 0.529292 N\n0.261393 0.494357 0.732712 N\n0.261393 0.505643 0.232712 N\n0.447999 0.115278 0.668291 N\n0.447999 0.884722 0.168291 N\n0.877034 0.365711 0.135878 N\n0.877034 0.634289 0.635878 N\n0.076225 0.590210 0.948321 N\n0.076225 0.409790 0.448321 N\n0.696707 0.459903 0.802447 N\n0.696707 0.540097 0.302447 N\n0.522317 0.542717 0.035930 N\n0.522317 0.457283 0.535930 N\n",
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{
"id": "mp-569168",
"created_at": "2022-09-04T14:41:10.301333Z",
"structure_string": "Ba12 Na2 Cu6 Te28\n1.0\n7.164207 -12.408770 0.000000\n7.164207 12.408770 0.000000\n0.000000 0.000000 9.135616\nBa Na Cu Te\n12 2 6 28\ndirect\n0.243528 0.792278 0.250000 Ba\n0.451249 0.243528 0.750000 Ba\n0.548751 0.792278 0.750000 Ba\n0.792278 0.548751 0.750000 Ba\n0.756472 0.548751 0.250000 Ba\n0.243528 0.451249 0.750000 Ba\n0.792278 0.243528 0.250000 Ba\n0.756472 0.207722 0.750000 Ba\n0.207722 0.451249 0.250000 Ba\n0.207722 0.756472 0.750000 Ba\n0.548751 0.756472 0.250000 Ba\n0.451249 0.207722 0.250000 Ba\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.807669 0.000000 0.250000 Cu\n0.807669 0.807669 0.750000 Cu\n0.000000 0.807669 0.250000 Cu\n0.192331 0.000000 0.750000 Cu\n0.192331 0.192331 0.250000 Cu\n0.000000 0.192331 0.750000 Cu\n0.171941 0.000000 0.250000 Te\n0.333333 0.666667 0.000000 Te\n0.000000 0.318133 0.526073 Te\n0.828059 0.000000 0.750000 Te\n0.681867 0.681867 0.973927 Te\n0.318133 0.000000 0.973927 Te\n0.000000 0.171941 0.250000 Te\n0.000000 0.681867 0.473927 Te\n0.000000 0.681867 0.026073 Te\n0.000000 0.467623 0.750000 Te\n0.318133 0.318133 0.026073 Te\n0.828059 0.828059 0.250000 Te\n0.467623 0.000000 0.750000 Te\n0.681867 0.000000 0.026073 Te\n0.666667 0.333333 0.500000 Te\n0.666667 0.333333 0.000000 Te\n0.681867 0.000000 0.473927 Te\n0.532377 0.532377 0.750000 Te\n0.467623 0.467623 0.250000 Te\n0.318133 0.000000 0.526073 Te\n0.681867 0.681867 0.526073 Te\n0.000000 0.318133 0.973927 Te\n0.333333 0.666667 0.500000 Te\n0.318133 0.318133 0.473927 Te\n0.000000 0.532377 0.250000 Te\n0.532377 0.000000 0.250000 Te\n0.000000 0.828059 0.750000 Te\n0.171941 0.171941 0.750000 Te\n",
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"volume": 1624.2941968429507,
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"formula_full": "Ba12 Na2 Cu6 Te28",
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"spacegroup": 193
},
{
"id": "mp-768222",
"created_at": "2022-09-04T14:41:10.312777Z",
"structure_string": "Ba1 Y2 F8\n1.0\n-2.713057 2.713057 6.782722\n2.713057 -2.713057 6.782722\n2.713057 2.713057 -6.782722\nBa Y F\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.313930 0.313930 0.000000 Y\n0.686070 0.686070 0.000000 Y\n0.808093 0.402330 0.046750 F\n0.408121 0.389701 0.411698 F\n0.238658 0.191907 0.594237 F\n0.597670 0.644421 0.405763 F\n0.003576 0.591879 0.981580 F\n0.610299 0.021997 0.018420 F\n0.355579 0.761342 0.953250 F\n0.978003 0.996424 0.588302 F\n",
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"formula_full": "Ba1 Y2 F8",
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{
"id": "mp-1224783",
"created_at": "2022-09-04T14:41:10.313713Z",
"structure_string": "Gd3 Dy3 Ni6\n1.0\n4.237214 0.000000 0.000000\n0.000000 5.465012 0.000000\n0.000000 1.318423 10.606250\nGd Dy Ni\n3 3 6\ndirect\n0.000000 0.583194 0.212488 Gd\n0.500000 0.258122 0.453306 Gd\n0.000000 0.741562 0.547676 Gd\n0.500000 0.104387 0.118220 Dy\n0.000000 0.896077 0.880746 Dy\n0.500000 0.416325 0.787904 Dy\n0.500000 0.620669 0.023302 Ni\n0.000000 0.378591 0.974980 Ni\n0.500000 0.788792 0.358279 Ni\n0.000000 0.212001 0.642854 Ni\n0.500000 0.946471 0.692106 Ni\n0.000000 0.053807 0.308136 Ni\n",
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"density": 8.866543371922246,
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"formula_full": "Gd3 Dy3 Ni6",
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},
{
"id": "mp-559766",
"created_at": "2022-09-04T14:41:10.377200Z",
"structure_string": "Cs6 Li2 F8\n1.0\n3.079116 6.941991 0.000000\n-3.079116 6.941991 0.000000\n0.000000 2.150504 8.791335\nCs Li F\n6 2 8\ndirect\n0.427569 0.427569 0.233192 Cs\n0.866006 0.866006 0.902170 Cs\n0.690803 0.690803 0.353659 Cs\n0.572431 0.572431 0.766808 Cs\n0.309197 0.309197 0.646341 Cs\n0.133994 0.133994 0.097830 Cs\n0.080166 0.080166 0.542595 Li\n0.919834 0.919834 0.457405 Li\n0.356467 0.356467 0.950421 F\n0.766379 0.233621 0.500000 F\n0.912174 0.912174 0.245470 F\n0.205043 0.205043 0.395090 F\n0.087826 0.087826 0.754530 F\n0.643533 0.643533 0.049579 F\n0.233621 0.766379 0.500000 F\n0.794957 0.794957 0.604910 F\n",
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{
"id": "mp-566185",
"created_at": "2022-09-04T14:41:10.329058Z",
"structure_string": "Rb4 Mo30 S38\n1.0\n17.549212 -5.175421 0.000000\n17.549212 5.175421 0.000000\n16.022933 0.000000 8.833200\nRb Mo S\n4 30 38\ndirect\n0.143249 0.143249 0.143249 Rb\n0.356751 0.356751 0.356751 Rb\n0.643249 0.643249 0.643249 Rb\n0.856751 0.856751 0.856751 Rb\n0.779473 0.189873 0.844318 Mo\n0.810127 0.155682 0.220527 Mo\n0.189873 0.844318 0.779473 Mo\n0.382481 0.491639 0.688873 Mo\n0.098340 0.250000 0.401660 Mo\n0.279473 0.344318 0.689873 Mo\n0.311127 0.617519 0.508361 Mo\n0.882481 0.188873 0.991639 Mo\n0.844318 0.779473 0.189873 Mo\n0.117519 0.811127 0.008361 Mo\n0.344318 0.689873 0.279473 Mo\n0.250000 0.401660 0.098340 Mo\n0.508361 0.311127 0.617519 Mo\n0.310127 0.720527 0.655682 Mo\n0.750000 0.598340 0.901660 Mo\n0.617519 0.508361 0.311127 Mo\n0.689873 0.279473 0.344318 Mo\n0.008361 0.117519 0.811127 Mo\n0.155682 0.220527 0.810127 Mo\n0.598340 0.901660 0.750000 Mo\n0.401660 0.098340 0.250000 Mo\n0.188873 0.991639 0.882481 Mo\n0.220527 0.810127 0.155682 Mo\n0.491639 0.688873 0.382481 Mo\n0.811127 0.008361 0.117519 Mo\n0.720527 0.655682 0.310127 Mo\n0.901660 0.750000 0.598340 Mo\n0.655682 0.310127 0.720527 Mo\n0.688873 0.382481 0.491639 Mo\n0.991639 0.882481 0.188873 Mo\n0.276324 0.954226 0.710875 S\n0.214276 0.214276 0.214276 S\n0.954226 0.710875 0.276324 S\n0.210875 0.454226 0.776324 S\n0.435965 0.435965 0.435965 S\n0.285724 0.285724 0.285724 S\n0.051006 0.702530 0.395249 S\n0.297470 0.604751 0.948994 S\n0.551006 0.895249 0.202530 S\n0.395249 0.051006 0.702530 S\n0.477192 0.750000 0.022808 S\n0.545774 0.223676 0.789125 S\n0.202530 0.551006 0.895249 S\n0.776324 0.210875 0.454226 S\n0.104751 0.797470 0.448994 S\n0.022808 0.477192 0.750000 S\n0.710875 0.276324 0.954226 S\n0.789125 0.545774 0.223676 S\n0.714276 0.714276 0.714276 S\n0.564035 0.564035 0.564035 S\n0.250000 0.977192 0.522808 S\n0.785724 0.785724 0.785724 S\n0.448994 0.104751 0.797470 S\n0.289125 0.723676 0.045774 S\n0.522808 0.250000 0.977192 S\n0.935965 0.935965 0.935965 S\n0.750000 0.022808 0.477192 S\n0.895249 0.202530 0.551006 S\n0.948994 0.297470 0.604751 S\n0.723676 0.045774 0.289125 S\n0.064035 0.064035 0.064035 S\n0.045774 0.289125 0.723676 S\n0.604751 0.948994 0.297470 S\n0.454226 0.776324 0.210875 S\n0.977192 0.522808 0.250000 S\n0.223676 0.789125 0.545774 S\n0.702530 0.395249 0.051006 S\n0.797470 0.448994 0.104751 S\n",
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{
"id": "mp-865972",
"created_at": "2022-09-04T14:41:10.331419Z",
"structure_string": "K2 Tm4 Cu6 Se10\n1.0\n2.040178 -7.168728 0.000000\n2.040178 7.168728 0.000000\n0.000000 0.000000 16.723889\nK Tm Cu Se\n2 4 6 10\ndirect\n0.940590 0.059410 0.750000 K\n0.059410 0.940590 0.250000 K\n0.808617 0.191383 0.406627 Tm\n0.191383 0.808617 0.906627 Tm\n0.191383 0.808617 0.593373 Tm\n0.808617 0.191383 0.093373 Tm\n0.586401 0.413599 0.473629 Cu\n0.413599 0.586401 0.973629 Cu\n0.413599 0.586401 0.526371 Cu\n0.586401 0.413599 0.026371 Cu\n0.337489 0.662511 0.250000 Cu\n0.662511 0.337489 0.750000 Cu\n0.746505 0.253495 0.250000 Se\n0.253495 0.746505 0.750000 Se\n0.440838 0.559162 0.379426 Se\n0.559162 0.440838 0.879426 Se\n0.559162 0.440838 0.620574 Se\n0.440838 0.559162 0.120574 Se\n0.833994 0.166006 0.572236 Se\n0.166006 0.833994 0.072236 Se\n0.166006 0.833994 0.427764 Se\n0.833994 0.166006 0.927764 Se\n",
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{
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{
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{
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"structure_string": "Zn6 Se8 O28\n1.0\n9.438214 0.000000 0.000000\n0.000000 8.276118 0.000000\n0.000000 3.243075 8.206868\nZn Se O\n6 8 28\ndirect\n0.625598 0.062022 0.099245 Zn\n0.125598 0.437978 0.900755 Zn\n0.374402 0.937978 0.900755 Zn\n0.874402 0.562022 0.099245 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.678414 0.250111 0.381668 Se\n0.178414 0.249889 0.618332 Se\n0.321586 0.749889 0.618332 Se\n0.821586 0.750111 0.381668 Se\n0.803100 0.343522 0.835842 Se\n0.303100 0.156478 0.164158 Se\n0.196900 0.656478 0.164158 Se\n0.696900 0.843522 0.835842 Se\n0.822433 0.150778 0.010228 O\n0.322433 0.349222 0.989772 O\n0.177567 0.849222 0.989772 O\n0.677567 0.650778 0.010228 O\n0.133217 0.102843 0.131733 O\n0.633217 0.397157 0.868267 O\n0.866783 0.897157 0.868267 O\n0.366783 0.602843 0.131733 O\n0.578212 0.265891 0.210239 O\n0.078212 0.234109 0.789761 O\n0.421788 0.734109 0.789761 O\n0.921788 0.765891 0.210239 O\n0.833193 0.359202 0.300847 O\n0.333193 0.140798 0.699153 O\n0.166807 0.640798 0.699153 O\n0.666807 0.859202 0.300847 O\n0.990699 0.143289 0.324603 O\n0.490699 0.356711 0.675397 O\n0.009301 0.856711 0.675397 O\n0.509301 0.643289 0.324603 O\n0.613078 0.403632 0.455298 O\n0.113078 0.096368 0.544702 O\n0.386922 0.596368 0.544702 O\n0.886922 0.903632 0.455298 O\n0.910435 0.481712 0.896200 O\n0.410435 0.018288 0.103800 O\n0.089565 0.518288 0.103800 O\n0.589565 0.981712 0.896200 O\n",
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{
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"structure_string": "Fe4 Si4 O16\n1.0\n5.359890 0.000000 0.000000\n0.000000 7.240831 0.000000\n0.000000 6.644034 9.362979\nFe Si O\n4 4 16\ndirect\n0.316976 0.290857 0.950590 Fe\n0.183024 0.290857 0.450590 Fe\n0.683024 0.709143 0.049410 Fe\n0.816976 0.709143 0.549410 Fe\n0.311079 0.787696 0.678904 Si\n0.188921 0.787696 0.178904 Si\n0.688921 0.212304 0.321096 Si\n0.811079 0.212304 0.821096 Si\n0.235473 0.040806 0.635697 O\n0.264527 0.040806 0.135697 O\n0.764527 0.959194 0.364303 O\n0.735473 0.959194 0.864303 O\n0.766419 0.399634 0.648316 O\n0.733581 0.399634 0.148316 O\n0.233581 0.600366 0.351684 O\n0.266419 0.600366 0.851684 O\n0.352106 0.726052 0.085517 O\n0.147894 0.726052 0.585517 O\n0.647894 0.273948 0.914483 O\n0.852106 0.273948 0.414483 O\n0.393888 0.218406 0.356343 O\n0.106112 0.218406 0.856343 O\n0.606112 0.781594 0.643657 O\n0.893888 0.781594 0.143657 O\n",
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]
}