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{
"id": "mp-1026828",
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{
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{
"id": "mp-9582",
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"structure_string": "Yb1 Zn2 P2\n1.0\n2.016819 -3.493233 0.000000\n2.016819 3.493233 0.000000\n0.000000 0.000000 6.763797\nYb Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.363606 Zn\n0.333333 0.666667 0.636394 Zn\n0.666667 0.333333 0.740989 P\n0.333333 0.666667 0.259011 P\n",
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{
"id": "mp-647999",
"created_at": "2022-09-04T14:40:08.560987Z",
"structure_string": "Nb4 Cd4 O14\n1.0\n0.000000 5.131793 5.131793\n5.131793 0.000000 5.131793\n5.131793 5.131793 0.000000\nNb Cd O\n4 4 14\ndirect\n0.125000 0.625000 0.625000 Nb\n0.625000 0.625000 0.125000 Nb\n0.625000 0.625000 0.625000 Nb\n0.625000 0.125000 0.625000 Nb\n0.625000 0.125000 0.125000 Cd\n0.125000 0.625000 0.125000 Cd\n0.125000 0.125000 0.625000 Cd\n0.125000 0.125000 0.125000 Cd\n0.733050 0.266950 0.266950 O\n0.266950 0.733050 0.266950 O\n0.516950 0.983050 0.983050 O\n0.733050 0.266950 0.733050 O\n0.500000 0.500000 0.500000 O\n0.266950 0.733050 0.733050 O\n0.983050 0.516950 0.516950 O\n0.516950 0.983050 0.516950 O\n0.983050 0.516950 0.983050 O\n0.750000 0.750000 0.750000 O\n0.733050 0.733050 0.266950 O\n0.516950 0.516950 0.983050 O\n0.983050 0.983050 0.516950 O\n0.266950 0.266950 0.733050 O\n",
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{
"id": "mp-980192",
"created_at": "2022-09-04T14:43:41.366593Z",
"structure_string": "Yb1 Os3\n1.0\n-2.138283 2.138283 3.463300\n2.138283 -2.138283 3.463300\n2.138283 2.138283 -3.463300\nYb Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Os\n0.250000 0.750000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n",
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},
{
"id": "mp-1079180",
"created_at": "2022-09-04T14:43:56.280988Z",
"structure_string": "Ho4 Pt4\n1.0\n4.527023 0.000000 0.000000\n0.000000 5.565463 0.000000\n0.000000 0.000000 6.987305\nHo Pt\n4 4\ndirect\n0.250000 0.363147 0.680870 Ho\n0.250000 0.136853 0.180870 Ho\n0.750000 0.636853 0.319130 Ho\n0.750000 0.863147 0.819130 Ho\n0.250000 0.847857 0.543787 Pt\n0.250000 0.652143 0.043787 Pt\n0.750000 0.152143 0.456213 Pt\n0.750000 0.347857 0.956213 Pt\n",
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{
"id": "mp-4962",
"created_at": "2022-09-04T14:41:09.302196Z",
"structure_string": "Co2 Sb2 S2\n1.0\n3.644259 0.000000 0.000000\n0.000000 4.854810 0.000000\n0.000000 0.000000 5.841456\nCo Sb S\n2 2 2\ndirect\n0.000000 0.283193 0.999119 Co\n0.500000 0.716807 0.499119 Co\n0.000000 0.035012 0.371992 Sb\n0.500000 0.964988 0.871992 Sb\n0.500000 0.540736 0.136589 S\n0.000000 0.459264 0.636589 S\n",
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{
"id": "mp-11824",
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"structure_string": "Ca3 P1 N1\n1.0\n4.725532 0.000000 0.000000\n0.000000 4.725532 0.000000\n0.000000 0.000000 4.725532\nCa P N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 N\n",
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{
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"structure_string": "Ag16 C48 N48 O32\n1.0\n7.728908 -0.000533 1.636583\n2.913745 14.194876 5.318195\n-0.026799 -0.375244 19.257096\nAg C N O\n16 48 48 32\ndirect\n0.637925 0.432059 0.785230 Ag\n0.853560 0.066948 0.714873 Ag\n0.090238 0.145906 0.074502 Ag\n0.144904 0.426310 0.949177 Ag\n0.909255 0.853245 0.926468 Ag\n0.482264 0.927282 0.448765 Ag\n0.771222 0.453902 0.322386 Ag\n0.224663 0.545862 0.678136 Ag\n0.688720 0.648214 0.573724 Ag\n0.450685 0.953799 0.822042 Ag\n0.855724 0.573752 0.051585 Ag\n0.364119 0.566488 0.214033 Ag\n0.146032 0.933143 0.285811 Ag\n0.310348 0.353672 0.425664 Ag\n0.549650 0.046585 0.178477 Ag\n0.520100 0.072789 0.551534 Ag\n0.194536 0.324897 0.215366 C\n0.093932 0.082060 0.389202 C\n0.632703 0.113007 0.332631 C\n0.804454 0.674827 0.785368 C\n0.757009 0.392360 0.540921 C\n0.282518 0.582424 0.392924 C\n0.514714 0.121410 0.992216 C\n0.308196 0.892727 0.041113 C\n0.696426 0.754049 0.339100 C\n0.365663 0.887194 0.667268 C\n0.819028 0.847241 0.530837 C\n0.303916 0.245196 0.661118 C\n0.273935 0.160049 0.843275 C\n0.484321 0.879359 0.007861 C\n0.966875 0.700518 0.165529 C\n0.789310 0.745985 0.161400 C\n0.564425 0.417285 0.110830 C\n0.908771 0.918573 0.610906 C\n0.717961 0.417398 0.607070 C\n0.742407 0.082938 0.892852 C\n0.242518 0.607278 0.459251 C\n0.371681 0.621269 0.492398 C\n0.254516 0.740756 0.704327 C\n0.833276 0.799343 0.334055 C\n0.723111 0.659477 0.343775 C\n0.196816 0.652798 0.969194 C\n0.947181 0.874114 0.554850 C\n0.256718 0.918021 0.107118 C\n0.033982 0.299724 0.834845 C\n0.805764 0.346023 0.030623 C\n0.921864 0.611799 0.833256 C\n0.626868 0.379147 0.507921 C\n0.691074 0.107678 0.959149 C\n0.077290 0.387500 0.167047 C\n0.437366 0.581548 0.888764 C\n0.727775 0.840747 0.157055 C\n0.168078 0.199650 0.664958 C\n0.375591 0.625554 0.945095 C\n0.701591 0.758361 0.796945 C\n0.275244 0.339979 0.656522 C\n0.263081 0.824430 0.715408 C\n0.211591 0.254690 0.838969 C\n0.626948 0.372914 0.054765 C\n0.735642 0.175586 0.284593 C\n0.183190 0.153389 0.469373 C\n0.297804 0.241168 0.204085 C\n0.055617 0.126580 0.445081 C\n0.743156 0.259425 0.295641 C\n0.509125 0.455686 0.156687 N\n0.020983 0.558716 0.872548 N\n0.679403 0.440995 0.661273 N\n0.978223 0.440382 0.127594 N\n0.946841 0.838572 0.327438 N\n0.067893 0.617351 0.493834 N\n0.113573 0.661364 0.171111 N\n0.254740 0.418816 0.653685 N\n0.480570 0.631628 0.520423 N\n0.321413 0.559216 0.338522 N\n0.751144 0.328880 0.305756 N\n0.336909 0.309060 0.829970 N\n0.708141 0.826435 0.510679 N\n0.450837 0.940467 0.628084 N\n0.547277 0.059923 0.371888 N\n0.055464 0.160238 0.670395 N\n0.612836 0.827612 0.807070 N\n0.672097 0.919452 0.154573 N\n0.631901 0.869641 0.980099 N\n0.499531 0.633666 0.984269 N\n0.931705 0.381189 0.506303 N\n0.844875 0.148432 0.225068 N\n0.820560 0.117826 0.993860 N\n0.884032 0.134742 0.484318 N\n0.245528 0.671339 0.694401 N\n0.878535 0.956961 0.656812 N\n0.118325 0.865878 0.515379 N\n0.216673 0.351707 0.275028 N\n0.491742 0.543715 0.842493 N\n0.367215 0.131275 0.020078 N\n0.741984 0.580805 0.346520 N\n0.123453 0.043499 0.343423 N\n0.957887 0.325271 0.010593 N\n0.525440 0.808309 0.330701 N\n0.155389 0.851251 0.775372 N\n0.218465 0.941756 0.161260 N\n0.782261 0.649018 0.725180 N\n0.475074 0.191486 0.670179 N\n0.294451 0.173786 0.489507 N\n0.329409 0.081315 0.845782 N\n0.178421 0.882337 0.006541 N\n0.780910 0.059814 0.838435 N\n0.044767 0.673631 0.989296 N\n0.517248 0.369155 0.480104 N\n0.663040 0.692413 0.169992 N\n0.503080 0.365176 0.015270 N\n0.385993 0.171658 0.194234 N\n0.887104 0.338476 0.829239 N\n0.951089 0.606098 0.464045 O\n0.497646 0.271918 0.825825 O\n0.966930 0.361952 0.444994 O\n0.129676 0.428720 0.283506 O\n0.593042 0.229077 0.675062 O\n0.844414 0.071021 0.216995 O\n0.773514 0.102222 0.464743 O\n0.049604 0.390960 0.536413 O\n0.340375 0.396960 0.035382 O\n0.942870 0.202762 0.181106 O\n0.222677 0.862831 0.945407 O\n0.502628 0.730023 0.174534 O\n0.156682 0.928428 0.783523 O\n0.502763 0.104895 0.674329 O\n0.499172 0.894779 0.326147 O\n0.867215 0.571841 0.716482 O\n0.280663 0.395543 0.825792 O\n0.031360 0.637358 0.554886 O\n0.058022 0.796771 0.819705 O\n0.717975 0.605927 0.174007 O\n0.229433 0.897592 0.535294 O\n0.324607 0.297013 0.319002 O\n0.020633 0.892556 0.036818 O\n0.552730 0.329780 0.963247 O\n0.450104 0.669715 0.035948 O\n0.674643 0.704296 0.681305 O\n0.775675 0.137203 0.055113 O\n0.978498 0.106909 0.964128 O\n0.155436 0.830392 0.463436 O\n0.845431 0.170761 0.535974 O\n0.662157 0.601278 0.964653 O\n0.405783 0.771268 0.326505 O\n",
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{
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"density_atomic": 0.058905543891162766,
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"formula_full": "La2 Zn17",
"formula_reduced": "La2Zn17",
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"updated_at": "2021-11-28T01:37:49.174000Z",
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},
{
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"formula_reduced": "TaInO3",
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"updated_at": "2021-11-28T01:34:46.159000Z",
"spacegroup": 221
},
{
"id": "mp-1030808",
"created_at": "2022-09-04T14:40:10.851348Z",
"structure_string": "Na1 Mg6 Si1 O8\n1.0\n8.618211 -0.000000 -0.000000\n0.000000 4.273241 -0.000000\n-0.000000 0.000000 4.273241\nNa Mg Si O\n1 6 1 8\ndirect\n-0.000000 0.500000 0.500000 Na\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249048 -0.000000 0.500000 Mg\n0.750952 0.000000 0.500000 Mg\n0.249048 0.500000 -0.000000 Mg\n0.750952 0.500000 0.000000 Mg\n0.000000 0.000000 -0.000000 Si\n0.236788 -0.000000 -0.000000 O\n0.763212 0.000000 0.000000 O\n0.264652 0.500000 0.500000 O\n0.735348 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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"chemical_system": "Mg-Na-O-Si",
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"density_atomic": 0.10166889108613272,
"volume": 157.37360591889393,
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"formula_full": "Na1 Mg6 Si1 O8",
"formula_reduced": "NaMg6SiO8",
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"energy": -98.70866094,
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"updated_at": "2021-11-28T01:34:54.575000Z",
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}
]
}