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{
"id": "mp-1076669",
"created_at": "2022-09-04T14:48:28.498859Z",
"structure_string": "La7 Sm1 Mn6 Fe2 O24\n1.0\n5.569732 -5.570285 0.000000\n5.569732 5.570285 0.000000\n0.000000 0.000000 7.903594\nLa Sm Mn Fe O\n7 1 6 2 24\ndirect\n0.251432 0.251432 0.000000 La\n0.748584 0.251455 0.000000 La\n0.251455 0.748584 0.000000 La\n0.748558 0.748558 0.000000 La\n0.748536 0.251443 0.500000 La\n0.251443 0.748536 0.500000 La\n0.748571 0.748571 0.500000 La\n0.251517 0.251517 0.500000 Sm\n0.499780 0.000236 0.749764 Mn\n0.000236 0.499780 0.749764 Mn\n0.499761 0.499761 0.749767 Mn\n0.499780 0.000236 0.250236 Mn\n0.000236 0.499780 0.250236 Mn\n0.499761 0.499761 0.250233 Mn\n0.000274 0.000274 0.749734 Fe\n0.000274 0.000274 0.250266 Fe\n0.000042 0.000042 0.000000 O\n0.499952 0.000052 0.000000 O\n0.000052 0.499952 0.000000 O\n0.499952 0.499952 0.000000 O\n0.001013 0.001013 0.500000 O\n0.498881 0.001117 0.500000 O\n0.001117 0.498881 0.500000 O\n0.498836 0.498836 0.500000 O\n0.001069 0.250063 0.748928 O\n0.498868 0.249541 0.748872 O\n0.000052 0.749982 0.749958 O\n0.499955 0.750451 0.749950 O\n0.001069 0.250063 0.251072 O\n0.498868 0.249541 0.251128 O\n0.000052 0.749982 0.250042 O\n0.499955 0.750451 0.250050 O\n0.250063 0.001069 0.748928 O\n0.749982 0.000052 0.749958 O\n0.249541 0.498868 0.748872 O\n0.750451 0.499955 0.749950 O\n0.250063 0.001069 0.251072 O\n0.749982 0.000052 0.250042 O\n0.249541 0.498868 0.251128 O\n0.750451 0.499955 0.250050 O\n",
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"formula_full": "La7 Sm1 Mn6 Fe2 O24",
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{
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"structure_string": "Dy10 B4 O12 F18\n1.0\n0.000000 6.138079 0.000000\n-0.000797 0.000000 8.298116\n10.134210 -3.069040 -1.803162\nDy B O F\n10 4 12 18\ndirect\n0.187383 0.681231 0.611761 Dy\n0.575622 0.818769 0.388239 Dy\n0.812617 0.318769 0.388239 Dy\n0.424378 0.181231 0.611761 Dy\n0.000811 0.095639 0.780413 Dy\n0.220397 0.404361 0.219587 Dy\n0.999189 0.904361 0.219587 Dy\n0.779603 0.595639 0.780413 Dy\n0.391198 0.750000 0.000000 Dy\n0.608802 0.250000 0.000000 Dy\n0.484770 0.938424 0.777110 B\n0.707660 0.561576 0.222890 B\n0.515230 0.061576 0.222890 B\n0.292340 0.438424 0.777110 B\n0.647198 0.065321 0.817457 O\n0.829740 0.434679 0.182543 O\n0.352802 0.934679 0.182543 O\n0.170260 0.565321 0.817457 O\n0.282348 0.961791 0.682651 O\n0.599697 0.538209 0.317349 O\n0.717652 0.038209 0.317349 O\n0.400303 0.461791 0.682651 O\n0.303132 0.285446 0.813941 O\n0.489191 0.214554 0.186059 O\n0.696868 0.714554 0.186059 O\n0.510809 0.785446 0.813941 O\n0.866841 0.520456 0.578609 F\n0.288231 0.979544 0.421391 F\n0.133159 0.479544 0.421391 F\n0.711769 0.020456 0.578609 F\n0.946518 0.815469 0.736666 F\n0.209852 0.684531 0.263334 F\n0.053482 0.184531 0.263334 F\n0.790148 0.315469 0.736666 F\n0.016097 0.750000 0.000000 F\n0.983903 0.250000 0.000000 F\n0.500447 0.712461 0.551761 F\n0.948686 0.787539 0.448239 F\n0.499553 0.287539 0.448239 F\n0.051314 0.212461 0.551761 F\n0.288023 0.017391 0.936771 F\n0.351252 0.482609 0.063229 F\n0.711977 0.982609 0.063229 F\n0.648748 0.517391 0.936771 F\n",
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"elements": [
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],
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"formula_full": "Dy10 B4 O12 F18",
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},
{
"id": "mp-1245834",
"created_at": "2022-09-04T14:46:56.409150Z",
"structure_string": "Sr2 Zr14 N20\n1.0\n6.595680 0.000000 0.880084\n0.000000 6.902613 0.000000\n-1.345442 0.000000 13.655937\nSr Zr N\n2 14 20\ndirect\n0.880114 0.055477 0.617302 Sr\n0.880114 0.944523 0.117302 Sr\n0.593688 0.047875 0.828467 Zr\n0.593688 0.952125 0.328467 Zr\n0.402526 0.960745 0.038868 Zr\n0.402526 0.039255 0.538868 Zr\n0.122026 0.416363 0.078906 Zr\n0.122026 0.583637 0.578906 Zr\n0.693635 0.409783 0.986760 Zr\n0.693635 0.590217 0.486760 Zr\n0.882306 0.601094 0.787353 Zr\n0.882306 0.398906 0.287353 Zr\n0.308665 0.596948 0.879667 Zr\n0.308665 0.403052 0.379667 Zr\n0.499943 0.417131 0.684260 Zr\n0.499943 0.582869 0.184260 Zr\n0.828428 0.885529 0.782979 N\n0.828428 0.114471 0.282979 N\n0.651104 0.116707 0.986126 N\n0.651104 0.883293 0.486126 N\n0.367552 0.880965 0.888868 N\n0.367552 0.119035 0.388868 N\n0.165754 0.134164 0.063836 N\n0.165754 0.865836 0.563836 N\n0.208385 0.534472 0.731558 N\n0.208385 0.465528 0.231558 N\n0.511783 0.127118 0.680367 N\n0.511783 0.872882 0.180367 N\n0.806383 0.477433 0.133765 N\n0.806383 0.522567 0.633765 N\n0.003153 0.523677 0.934282 N\n0.003153 0.476323 0.434282 N\n0.604342 0.441714 0.834430 N\n0.604342 0.558286 0.334430 N\n0.412512 0.554087 0.031506 N\n0.412512 0.445913 0.531506 N\n",
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"elements": [
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],
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"density": 4.5672840263454395,
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"volume": 629.8930659184662,
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"formula_full": "Sr2 Zr14 N20",
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"energy": -344.16036767,
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"spacegroup": 7
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{
"id": "mp-883548",
"created_at": "2022-09-04T14:47:36.009728Z",
"structure_string": "V6 P8 O28\n1.0\n5.272094 0.000000 0.000000\n1.913531 6.318282 0.000000\n2.061268 1.758706 15.465867\nV P O\n6 8 28\ndirect\n0.163743 0.284589 0.581675 V\n0.037343 0.616998 0.828614 V\n0.252629 0.964923 0.323483 V\n0.747371 0.035077 0.676517 V\n0.962657 0.383002 0.171386 V\n0.836257 0.715411 0.418325 V\n0.174224 0.103134 0.791323 P\n0.391389 0.432421 0.317557 P\n0.568017 0.239011 0.067621 P\n0.274545 0.785724 0.539218 P\n0.725455 0.214276 0.460782 P\n0.431983 0.760989 0.932379 P\n0.608611 0.567579 0.682443 P\n0.825776 0.896866 0.208677 P\n0.017230 0.029309 0.226249 O\n0.268341 0.334381 0.090041 O\n0.026699 0.311171 0.823517 O\n0.231805 0.296224 0.288552 O\n0.125654 0.621240 0.534883 O\n0.208099 0.654092 0.338022 O\n0.332901 0.844379 0.015410 O\n0.350549 0.136504 0.701772 O\n0.612785 0.040201 0.151406 O\n0.097947 0.971419 0.588911 O\n0.459545 0.316020 0.414231 O\n0.599830 0.136354 0.549545 O\n0.288167 0.608935 0.904641 O\n0.349304 0.559807 0.731556 O\n0.650696 0.440193 0.268444 O\n0.711833 0.391065 0.095359 O\n0.400170 0.863646 0.450455 O\n0.540455 0.683980 0.585769 O\n0.902053 0.028581 0.411089 O\n0.387215 0.959799 0.848594 O\n0.649451 0.863496 0.298228 O\n0.667099 0.155621 0.984590 O\n0.791901 0.345908 0.661978 O\n0.874346 0.378760 0.465117 O\n0.768195 0.703776 0.711448 O\n0.973301 0.688829 0.176483 O\n0.731659 0.665619 0.909959 O\n0.982770 0.970691 0.773751 O\n",
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{
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"structure_string": "Li8 Co4 P8 O28\n1.0\n5.067446 -0.153105 0.226856\n2.237663 3.101431 7.951071\n-0.749554 -13.259809 0.586866\nLi Co P O\n8 4 8 28\ndirect\n0.428958 0.010697 0.338887 Li\n0.928795 0.011147 0.838691 Li\n0.571098 0.989240 0.661150 Li\n0.071163 0.988860 0.161326 Li\n0.119589 0.756643 0.556601 Li\n0.619649 0.756334 0.056568 Li\n0.880057 0.243402 0.443339 Li\n0.380163 0.243748 0.943377 Li\n0.397107 0.337281 0.587386 Co\n0.602968 0.662649 0.412659 Co\n0.897356 0.335439 0.086838 Co\n0.102675 0.664270 0.913205 Co\n0.216732 0.392401 0.370860 P\n0.716225 0.393251 0.870971 P\n0.783333 0.607539 0.629174 P\n0.283854 0.606764 0.128976 P\n0.480990 0.144939 0.149708 P\n0.980969 0.145395 0.649600 P\n0.518905 0.855112 0.850329 P\n0.019113 0.854559 0.350366 P\n0.902605 0.437474 0.366273 O\n0.402097 0.437804 0.866121 O\n0.097418 0.562362 0.633828 O\n0.598011 0.562204 0.133892 O\n0.320311 0.541931 0.424333 O\n0.820321 0.542526 0.924495 O\n0.679569 0.458094 0.575677 O\n0.179867 0.457518 0.075266 O\n0.314405 0.254313 0.424240 O\n0.813642 0.255160 0.924524 O\n0.686039 0.745588 0.575739 O\n0.186337 0.745070 0.075567 O\n0.233673 0.840023 0.872886 O\n0.733799 0.839403 0.372841 O\n0.766156 0.160087 0.127148 O\n0.266328 0.160536 0.627186 O\n0.991140 0.993630 0.683675 O\n0.491438 0.993150 0.183705 O\n0.008839 0.006371 0.316321 O\n0.508536 0.006889 0.816309 O\n0.345395 0.313740 0.250249 O\n0.845369 0.314297 0.750292 O\n0.654428 0.686321 0.749756 O\n0.154558 0.685681 0.249645 O\n0.213709 0.846351 0.439566 O\n0.713671 0.846606 0.939409 O\n0.786458 0.153634 0.560383 O\n0.286182 0.153567 0.060658 O\n",
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{
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"structure_string": "Li4 V4 P8 O28\n1.0\n-3.882300 -4.231054 -3.139298\n1.426488 8.458576 -6.554113\n5.305057 -4.229041 -3.417569\nLi V P O\n4 4 8 28\ndirect\n0.085614 0.413940 0.585468 Li\n0.585742 0.914394 0.086151 Li\n0.414259 0.085575 0.913849 Li\n0.914393 0.586077 0.414537 Li\n0.906096 0.094061 0.405621 V\n0.093934 0.905955 0.594382 V\n0.405934 0.594233 0.905944 V\n0.594098 0.405770 0.094026 V\n0.570906 0.374901 0.678498 P\n0.071149 0.874722 0.178752 P\n0.429073 0.625078 0.321492 P\n0.928898 0.125278 0.821256 P\n0.058222 0.336676 0.115208 P\n0.558239 0.836870 0.615295 P\n0.941782 0.663348 0.884759 P\n0.441728 0.163108 0.384710 P\n0.950469 0.754677 0.058484 O\n0.450760 0.254529 0.558269 O\n0.049571 0.245334 0.941522 O\n0.549189 0.745483 0.441734 O\n0.709999 0.568305 0.926641 O\n0.209903 0.068133 0.426939 O\n0.290016 0.431701 0.073361 O\n0.790090 0.931867 0.573061 O\n0.205726 0.561373 0.417102 O\n0.705761 0.061492 0.917262 O\n0.794250 0.438614 0.582882 O\n0.294282 0.938500 0.082759 O\n0.563693 0.308813 0.855695 O\n0.064444 0.808663 0.355762 O\n0.412880 0.460025 0.704413 O\n0.913091 0.959874 0.204838 O\n0.587087 0.539959 0.295617 O\n0.086946 0.040130 0.795187 O\n0.436293 0.691172 0.144303 O\n0.935574 0.191325 0.644266 O\n0.540099 0.760556 0.780146 O\n0.039372 0.260360 0.280093 O\n0.890042 0.409638 0.130412 O\n0.390107 0.909930 0.631061 O\n0.110007 0.590407 0.869480 O\n0.609844 0.090070 0.368993 O\n0.459908 0.239431 0.219834 O\n0.960530 0.739652 0.719937 O\n",
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{
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