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{
"id": "mp-696961",
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"structure_string": "Be4 H16 N4 F12\n1.0\n4.486993 0.000000 0.000000\n0.000000 5.830486 0.000000\n0.000000 5.734722 13.019554\nBe H N F\n4 16 4 12\ndirect\n0.819697 0.052703 0.677562 Be\n0.180303 0.052703 0.177562 Be\n0.318297 0.965166 0.817530 Be\n0.681703 0.965166 0.317530 Be\n0.268373 0.433387 0.637815 H\n0.731627 0.433387 0.137815 H\n0.470164 0.694383 0.619081 H\n0.529836 0.694383 0.119081 H\n0.082017 0.701904 0.619892 H\n0.917983 0.701904 0.119892 H\n0.272003 0.671807 0.523382 H\n0.727997 0.671807 0.023382 H\n0.765915 0.568272 0.860384 H\n0.234085 0.568272 0.360384 H\n0.570690 0.301746 0.881481 H\n0.429310 0.301746 0.381481 H\n0.959464 0.303963 0.880167 H\n0.040536 0.303963 0.380167 H\n0.770660 0.335705 0.976088 H\n0.229340 0.335705 0.476088 H\n0.272772 0.625537 0.600946 N\n0.727228 0.625537 0.100946 N\n0.765914 0.376659 0.899127 N\n0.234086 0.376659 0.399127 N\n0.168292 0.046518 0.705872 F\n0.831708 0.046518 0.205872 F\n0.743599 0.313414 0.604900 F\n0.256401 0.313414 0.104900 F\n0.772902 0.838418 0.639918 F\n0.227098 0.838418 0.139918 F\n0.666036 0.967185 0.788997 F\n0.333964 0.967185 0.288997 F\n0.239103 0.709282 0.893684 F\n0.760897 0.709282 0.393684 F\n0.268496 0.184949 0.851973 F\n0.731504 0.184949 0.351973 F\n",
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{
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"structure_string": "Mg3 Zn1\n1.0\n0.000000 3.433711 3.433711\n3.433711 0.000000 3.433711\n3.433711 3.433711 0.000000\nMg Zn\n3 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Zn\n",
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{
"id": "mp-6130",
"created_at": "2022-09-04T14:41:03.805938Z",
"structure_string": "K4 Mn16 P12 O48\n1.0\n6.644762 0.000000 0.000000\n0.000000 10.210182 0.000000\n0.000000 0.000000 16.315977\nK Mn P O\n4 16 12 48\ndirect\n0.250000 0.251189 0.785878 K\n0.750000 0.248811 0.285878 K\n0.250000 0.751189 0.714122 K\n0.750000 0.748811 0.214122 K\n0.502079 0.252489 0.553016 Mn\n0.002079 0.247511 0.053016 Mn\n0.997921 0.252489 0.553016 Mn\n0.497921 0.747511 0.446984 Mn\n0.250000 0.934638 0.126785 Mn\n0.750000 0.065362 0.873215 Mn\n0.250000 0.434638 0.373215 Mn\n0.750000 0.565362 0.626785 Mn\n0.250000 0.543232 0.130619 Mn\n0.750000 0.456768 0.869381 Mn\n0.250000 0.043232 0.369381 Mn\n0.750000 0.956768 0.630619 Mn\n0.002079 0.747511 0.446984 Mn\n0.997921 0.752489 0.946984 Mn\n0.497921 0.247511 0.053016 Mn\n0.502079 0.752489 0.946984 Mn\n0.250000 0.706659 0.275958 P\n0.750000 0.293341 0.724042 P\n0.250000 0.206659 0.224042 P\n0.750000 0.793341 0.775958 P\n0.250000 0.541999 0.555209 P\n0.750000 0.458001 0.444791 P\n0.250000 0.041999 0.944791 P\n0.750000 0.528290 0.059782 P\n0.750000 0.958001 0.055209 P\n0.750000 0.028290 0.440218 P\n0.250000 0.471710 0.940218 P\n0.250000 0.971710 0.559782 P\n0.250000 0.553179 0.267727 O\n0.750000 0.446821 0.732273 O\n0.250000 0.053179 0.232273 O\n0.750000 0.946821 0.767727 O\n0.559708 0.244019 0.678733 O\n0.059708 0.755981 0.321267 O\n0.940292 0.744019 0.821267 O\n0.440292 0.255981 0.178733 O\n0.440292 0.755981 0.321267 O\n0.940292 0.244019 0.678733 O\n0.059708 0.255981 0.178733 O\n0.559708 0.744019 0.821267 O\n0.250000 0.749931 0.184391 O\n0.750000 0.250069 0.815609 O\n0.250000 0.249931 0.315609 O\n0.750000 0.750069 0.684391 O\n0.559808 0.410145 0.401294 O\n0.059808 0.589855 0.598706 O\n0.940192 0.910145 0.098706 O\n0.560131 0.061033 0.391420 O\n0.440192 0.089855 0.901294 O\n0.940192 0.410145 0.401294 O\n0.059808 0.089855 0.901294 O\n0.559808 0.910145 0.098706 O\n0.250000 0.604124 0.465315 O\n0.750000 0.395876 0.534685 O\n0.250000 0.104124 0.034685 O\n0.750000 0.895876 0.965315 O\n0.250000 0.889038 0.956515 O\n0.750000 0.110962 0.043485 O\n0.250000 0.389038 0.543485 O\n0.750000 0.610962 0.456515 O\n0.750000 0.610756 0.976458 O\n0.250000 0.389244 0.023542 O\n0.750000 0.110756 0.523542 O\n0.250000 0.889244 0.476458 O\n0.750000 0.879502 0.467433 O\n0.250000 0.120498 0.532567 O\n0.750000 0.379502 0.032567 O\n0.250000 0.620498 0.967433 O\n0.560131 0.561033 0.108580 O\n0.060131 0.438967 0.891420 O\n0.939869 0.061033 0.391420 O\n0.439869 0.938967 0.608580 O\n0.439869 0.438967 0.891420 O\n0.939869 0.561033 0.108580 O\n0.060131 0.938967 0.608580 O\n0.440192 0.589855 0.598706 O\n",
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"density_atomic": 0.0722709874871694,
"volume": 1106.9448859295408,
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"formula_full": "K4 Mn16 P12 O48",
"formula_reduced": "KMn4(PO4)3",
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{
"id": "mp-1037074",
"created_at": "2022-09-04T14:41:04.206504Z",
"structure_string": "Mg30 Nb1 Ni1 O32\n1.0\n8.545578 0.000000 0.000000\n0.000000 8.545589 0.000000\n0.000000 0.000000 8.545589\nMg Nb Ni O\n30 1 1 32\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.247810 0.247810 Mg\n0.000000 0.247810 0.752190 Mg\n0.000000 0.752190 0.247810 Mg\n0.000000 0.752190 0.752190 Mg\n0.500000 0.250029 0.250029 Mg\n0.500000 0.250029 0.749971 Mg\n0.500000 0.749971 0.250029 Mg\n0.500000 0.749971 0.749971 Mg\n0.249495 0.000000 0.249629 Mg\n0.249495 0.000000 0.750371 Mg\n0.251736 0.500000 0.248188 Mg\n0.251736 0.500000 0.751812 Mg\n0.750505 0.000000 0.249629 Mg\n0.750505 0.000000 0.750371 Mg\n0.748264 0.500000 0.248188 Mg\n0.748264 0.500000 0.751812 Mg\n0.249495 0.249629 0.000000 Mg\n0.251736 0.248188 0.500000 Mg\n0.249495 0.750371 0.000000 Mg\n0.251736 0.751812 0.500000 Mg\n0.750505 0.249629 0.000000 Mg\n0.748264 0.248188 0.500000 Mg\n0.750505 0.750371 0.000000 Mg\n0.748264 0.751812 0.500000 Mg\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Ni\n0.251579 0.000000 0.000000 O\n0.251213 0.000000 0.500000 O\n0.251213 0.500000 0.000000 O\n0.262345 0.500000 0.500000 O\n0.748421 0.000000 0.000000 O\n0.748787 0.000000 0.500000 O\n0.748787 0.500000 0.000000 O\n0.737655 0.500000 0.500000 O\n0.249521 0.250339 0.250339 O\n0.249521 0.250339 0.749661 O\n0.249521 0.749661 0.250339 O\n0.249521 0.749661 0.749661 O\n0.750479 0.250339 0.250339 O\n0.750479 0.250339 0.749661 O\n0.750479 0.749661 0.250339 O\n0.750479 0.749661 0.749661 O\n0.000000 0.000000 0.250114 O\n0.000000 0.000000 0.749886 O\n0.000000 0.500000 0.237694 O\n0.000000 0.500000 0.762306 O\n0.500000 0.000000 0.249825 O\n0.500000 0.000000 0.750175 O\n0.500000 0.500000 0.248808 O\n0.500000 0.500000 0.751192 O\n0.000000 0.250114 0.000000 O\n0.000000 0.237694 0.500000 O\n0.000000 0.749886 0.000000 O\n0.000000 0.762306 0.500000 O\n0.500000 0.249825 0.000000 O\n0.500000 0.248808 0.500000 O\n0.500000 0.750175 0.000000 O\n0.500000 0.751192 0.500000 O\n",
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{
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{
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{
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"structure_string": "Zn8 P10 C4 N12 O40\n1.0\n2.668511 14.877642 0.000000\n-2.668511 14.877642 0.000000\n0.000000 10.344450 14.558180\nZn P C N O\n8 10 4 12 40\ndirect\n0.027436 0.551514 0.742435 Zn\n0.448486 0.972564 0.757565 Zn\n0.972564 0.448486 0.257565 Zn\n0.551514 0.027436 0.242435 Zn\n0.737708 0.095816 0.708621 Zn\n0.904184 0.262292 0.791379 Zn\n0.262292 0.904184 0.291379 Zn\n0.095816 0.737708 0.208621 Zn\n0.226565 0.618698 0.605769 P\n0.381302 0.773435 0.894231 P\n0.773435 0.381302 0.394231 P\n0.618698 0.226565 0.105769 P\n0.535606 0.026594 0.844163 P\n0.973406 0.464394 0.655837 P\n0.464394 0.973406 0.155837 P\n0.026594 0.535606 0.344163 P\n0.554950 0.445050 0.750000 P\n0.445050 0.554950 0.250000 P\n0.991406 0.296159 0.021931 C\n0.703841 0.008594 0.478069 C\n0.008594 0.703841 0.978069 C\n0.296159 0.991406 0.521931 C\n0.180207 0.049633 0.051562 N\n0.950367 0.819793 0.448438 N\n0.819793 0.950367 0.948438 N\n0.049633 0.180207 0.551562 N\n0.873374 0.426722 0.950896 N\n0.573278 0.126626 0.549104 N\n0.126626 0.573278 0.049104 N\n0.426722 0.873374 0.450896 N\n0.924045 0.410144 0.062770 N\n0.589856 0.075955 0.437230 N\n0.075955 0.589856 0.937230 N\n0.410144 0.924045 0.562770 N\n0.082598 0.646559 0.637125 O\n0.353441 0.917402 0.862875 O\n0.917402 0.353441 0.362875 O\n0.646559 0.082598 0.137125 O\n0.098346 0.785102 0.657564 O\n0.214898 0.901654 0.842436 O\n0.901654 0.214898 0.342436 O\n0.785102 0.098346 0.157564 O\n0.509994 0.337654 0.618842 O\n0.662346 0.490006 0.881158 O\n0.490006 0.662346 0.381158 O\n0.337654 0.509994 0.118842 O\n0.191794 0.734517 0.503647 O\n0.265483 0.808206 0.996353 O\n0.808206 0.265483 0.496353 O\n0.734517 0.191794 0.003647 O\n0.651597 0.868546 0.789924 O\n0.131454 0.348403 0.710076 O\n0.348403 0.131454 0.210076 O\n0.868546 0.651597 0.289924 O\n0.698611 0.977281 0.808793 O\n0.022719 0.301389 0.691207 O\n0.301389 0.022719 0.191207 O\n0.977281 0.698611 0.308793 O\n0.557009 0.917320 0.946370 O\n0.082680 0.442991 0.553630 O\n0.442991 0.082680 0.053630 O\n0.917320 0.557009 0.446370 O\n0.250544 0.311615 0.831746 O\n0.688385 0.749456 0.668254 O\n0.749456 0.688385 0.168254 O\n0.311615 0.250544 0.331746 O\n0.672192 0.236410 0.761840 O\n0.763590 0.327808 0.738160 O\n0.327808 0.763590 0.238160 O\n0.236410 0.672192 0.261840 O\n0.391164 0.660097 0.668688 O\n0.339903 0.608836 0.831312 O\n0.608836 0.339903 0.331312 O\n0.660097 0.391164 0.168688 O\n",
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{
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