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{
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{
"id": "mp-1219788",
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"structure_string": "Pr4 Ta4 Ti4 O24\n1.0\n5.427120 0.000000 0.000000\n0.000000 7.577924 0.000000\n0.000000 0.000000 11.096941\nPr Ta Ti O\n4 4 4 24\ndirect\n0.455813 0.748785 0.956748 Pr\n0.044187 0.748785 0.456748 Pr\n0.544187 0.248785 0.043252 Pr\n0.955813 0.248785 0.543252 Pr\n0.461980 0.505503 0.643737 Ta\n0.538020 0.005503 0.356263 Ta\n0.961980 0.005503 0.856263 Ta\n0.038020 0.505503 0.143737 Ta\n0.035006 0.993291 0.143181 Ti\n0.964994 0.493291 0.856819 Ti\n0.535006 0.493291 0.356819 Ti\n0.464994 0.993291 0.643181 Ti\n0.046734 0.748813 0.855652 O\n0.453266 0.748813 0.355652 O\n0.953266 0.248813 0.144348 O\n0.546734 0.248813 0.644348 O\n0.153770 0.752325 0.122835 O\n0.346230 0.752325 0.622835 O\n0.846230 0.252325 0.877165 O\n0.653770 0.252325 0.377165 O\n0.631072 0.558121 0.790297 O\n0.873758 0.942727 0.287965 O\n0.368928 0.058121 0.209703 O\n0.126242 0.442727 0.712035 O\n0.373758 0.442727 0.212035 O\n0.131072 0.058121 0.709703 O\n0.626242 0.942727 0.787965 O\n0.868928 0.558121 0.290297 O\n0.233036 0.037445 0.972999 O\n0.271284 0.462990 0.474448 O\n0.766964 0.537445 0.027001 O\n0.728716 0.962990 0.525552 O\n0.771284 0.962990 0.025552 O\n0.733036 0.537445 0.527001 O\n0.228716 0.462990 0.974448 O\n0.266964 0.037445 0.472999 O\n",
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{
"id": "mp-867824",
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"structure_string": "Li2 Ag6 F16\n1.0\n-5.388644 0.002896 0.006446\n-2.689113 6.352841 -0.050615\n2.700039 1.217127 -9.527776\nLi Ag F\n2 6 16\ndirect\n0.719465 0.749192 0.250654 Li\n0.282937 0.250531 0.749465 Li\n0.885763 0.869362 0.611707 Ag\n0.643749 0.630296 0.888787 Ag\n0.999671 0.000312 0.999832 Ag\n0.500360 0.499836 0.500108 Ag\n0.354971 0.370127 0.111161 Ag\n0.113597 0.130075 0.388459 Ag\n0.632211 0.898248 0.409593 F\n0.619984 0.602355 0.090481 F\n0.744682 0.485466 0.373974 F\n0.819212 0.139352 0.201670 F\n0.741935 0.640426 0.702418 F\n0.644047 0.986112 0.873204 F\n0.940731 0.290317 0.914498 F\n0.816174 0.209977 0.585748 F\n0.184304 0.789542 0.414031 F\n0.058982 0.710154 0.085457 F\n0.355509 0.014457 0.126520 F\n0.257190 0.361159 0.297652 F\n0.181577 0.859264 0.798257 F\n0.256514 0.514157 0.626159 F\n0.379320 0.397250 0.909761 F\n0.367117 0.102032 0.590405 F\n",
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},
{
"id": "mp-1016236",
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"structure_string": "Mg3 Sb1\n1.0\n3.284526 0.000000 0.000000\n0.000000 5.218539 0.000000\n0.000000 0.000000 5.524087\nMg Sb\n3 1\ndirect\n0.000000 0.000000 0.667539 Mg\n0.000000 0.500000 0.334942 Mg\n0.500000 0.500000 0.831793 Mg\n0.500000 0.000000 0.165726 Sb\n",
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{
"id": "mp-1328326",
"created_at": "2022-09-04T14:45:21.295405Z",
"structure_string": "Mg8 Cu8 Bi8 O40\n1.0\n5.146939 0.000000 0.000000\n0.000000 10.069294 0.000000\n0.000000 0.000000 15.660944\nMg Cu Bi O\n8 8 8 40\ndirect\n0.507017 0.381367 0.583389 Mg\n0.007017 0.118633 0.583389 Mg\n0.007017 0.618633 0.916611 Mg\n0.992983 0.381367 0.083389 Mg\n0.492983 0.118633 0.083389 Mg\n0.992983 0.881367 0.416611 Mg\n0.492983 0.618633 0.416611 Mg\n0.507017 0.881367 0.916611 Mg\n0.004410 0.367253 0.480049 Cu\n0.495590 0.867253 0.519951 Cu\n0.995590 0.632747 0.519951 Cu\n0.504410 0.132747 0.480049 Cu\n0.995590 0.132747 0.980049 Cu\n0.004410 0.867253 0.019951 Cu\n0.495590 0.367253 0.980049 Cu\n0.504410 0.632747 0.019951 Cu\n0.940405 0.854691 0.737264 Bi\n0.059595 0.145309 0.262736 Bi\n0.559595 0.354691 0.262736 Bi\n0.059595 0.645309 0.237264 Bi\n0.440405 0.145309 0.762736 Bi\n0.440405 0.645309 0.737264 Bi\n0.559595 0.854691 0.237264 Bi\n0.940405 0.354691 0.762736 Bi\n0.879488 0.307041 0.340784 O\n0.248220 0.001257 0.994759 O\n0.251780 0.501257 0.005241 O\n0.242309 0.799687 0.822029 O\n0.257691 0.299687 0.177971 O\n0.879488 0.807041 0.159216 O\n0.257691 0.799687 0.322029 O\n0.620512 0.807041 0.659216 O\n0.248220 0.501257 0.505241 O\n0.120512 0.692959 0.659216 O\n0.620512 0.307041 0.840784 O\n0.757004 0.249286 0.517516 O\n0.748220 0.998743 0.505241 O\n0.757691 0.700313 0.322029 O\n0.324246 0.013545 0.184467 O\n0.748220 0.498743 0.994759 O\n0.120512 0.192959 0.840784 O\n0.742309 0.200313 0.677971 O\n0.257004 0.750714 0.982484 O\n0.251780 0.001257 0.494759 O\n0.242996 0.750714 0.482484 O\n0.675754 0.986455 0.815533 O\n0.757691 0.200313 0.177971 O\n0.824246 0.986455 0.315533 O\n0.242996 0.250714 0.017516 O\n0.257004 0.250714 0.517516 O\n0.751780 0.498743 0.494759 O\n0.751780 0.998743 0.005241 O\n0.824246 0.486455 0.184467 O\n0.742996 0.749286 0.482484 O\n0.742996 0.249286 0.017516 O\n0.757004 0.749286 0.982484 O\n0.675754 0.486455 0.684467 O\n0.742309 0.700313 0.822029 O\n0.242309 0.299687 0.677971 O\n0.324246 0.513545 0.315533 O\n0.175754 0.513545 0.815533 O\n0.379488 0.192959 0.340784 O\n0.175754 0.013545 0.684467 O\n0.379488 0.692959 0.159216 O\n",
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"elements": [
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"formula_full": "Mg8 Cu8 Bi8 O40",
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{
"id": "mp-1203314",
"created_at": "2022-09-04T14:45:21.308215Z",
"structure_string": "H40 C16 S4 N8\n1.0\n5.386106 0.000000 0.000000\n0.000000 12.459001 0.000000\n-2.155583 0.000000 11.922859\nH C S N\n40 16 4 8\ndirect\n0.861768 0.234598 0.572447 H\n0.861768 0.265402 0.072447 H\n0.138232 0.765402 0.427553 H\n0.138232 0.734598 0.927553 H\n0.662247 0.112911 0.892342 H\n0.662247 0.387089 0.392342 H\n0.337753 0.887089 0.107658 H\n0.337753 0.612911 0.607658 H\n0.384628 0.078193 0.794005 H\n0.384628 0.421807 0.294005 H\n0.615372 0.921807 0.205995 H\n0.615372 0.578193 0.705995 H\n0.425594 0.211662 0.849515 H\n0.425594 0.288338 0.349515 H\n0.574406 0.788338 0.150485 H\n0.574406 0.711662 0.650485 H\n0.499293 0.151514 0.553058 H\n0.499293 0.348486 0.053058 H\n0.500707 0.848486 0.446942 H\n0.500707 0.651514 0.946942 H\n0.456058 0.041256 0.641214 H\n0.456058 0.458744 0.141214 H\n0.543942 0.958744 0.358786 H\n0.543942 0.541256 0.858786 H\n0.758641 0.064945 0.606845 H\n0.758641 0.435055 0.106845 H\n0.241359 0.935055 0.393155 H\n0.241359 0.564945 0.893155 H\n0.994956 0.442336 0.644669 H\n0.994956 0.057664 0.144669 H\n0.005044 0.557664 0.355331 H\n0.005044 0.942336 0.855331 H\n0.155377 0.357304 0.560147 H\n0.155377 0.142696 0.060147 H\n0.844623 0.642696 0.439853 H\n0.844623 0.857304 0.939853 H\n0.249001 0.360507 0.709665 H\n0.249001 0.139493 0.209665 H\n0.750999 0.639493 0.290335 H\n0.750999 0.860507 0.790335 H\n0.808491 0.253459 0.736638 C\n0.808491 0.246541 0.236638 C\n0.191509 0.746541 0.263362 C\n0.191509 0.753459 0.763362 C\n0.521971 0.141810 0.821286 C\n0.521971 0.358190 0.321286 C\n0.478029 0.858190 0.178714 C\n0.478029 0.641810 0.678714 C\n0.587933 0.104054 0.626231 C\n0.587933 0.395946 0.126231 C\n0.412067 0.895946 0.373769 C\n0.412067 0.604054 0.873769 C\n0.087819 0.364077 0.640126 C\n0.087819 0.135923 0.140126 C\n0.912181 0.635923 0.359874 C\n0.912181 0.864077 0.859874 C\n0.880960 0.327377 0.856020 S\n0.880960 0.172623 0.356020 S\n0.119040 0.672623 0.143980 S\n0.119040 0.827377 0.643980 S\n0.643713 0.170083 0.727211 N\n0.643713 0.329917 0.227211 N\n0.356287 0.829917 0.272789 N\n0.356287 0.670083 0.772789 N\n0.914889 0.275649 0.645366 N\n0.914889 0.224351 0.145366 N\n0.085111 0.724351 0.354634 N\n0.085111 0.775649 0.854634 N\n",
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{
"id": "mp-1343472",
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"structure_string": "Mg4 Ni8 O16\n1.0\n2.896973 0.000000 0.000000\n0.000000 8.659506 0.000000\n0.000000 0.000000 10.187092\nMg Ni O\n4 8 16\ndirect\n0.250000 0.744510 0.839214 Mg\n0.750000 0.255490 0.160786 Mg\n0.250000 0.244510 0.660786 Mg\n0.750000 0.755490 0.339214 Mg\n0.750000 0.913898 0.600000 Ni\n0.250000 0.586102 0.100000 Ni\n0.750000 0.413898 0.900000 Ni\n0.250000 0.086102 0.400000 Ni\n0.250000 0.060614 0.884668 Ni\n0.750000 0.939386 0.115332 Ni\n0.250000 0.560614 0.615332 Ni\n0.750000 0.439386 0.384668 Ni\n0.750000 0.404321 0.574812 O\n0.250000 0.595679 0.425188 O\n0.750000 0.904321 0.925188 O\n0.250000 0.095679 0.074812 O\n0.750000 0.527211 0.212618 O\n0.250000 0.472789 0.787382 O\n0.750000 0.027211 0.287382 O\n0.250000 0.972789 0.712618 O\n0.750000 0.121316 0.532508 O\n0.250000 0.878684 0.467492 O\n0.750000 0.621316 0.967492 O\n0.250000 0.378684 0.032508 O\n0.250000 0.288624 0.322732 O\n0.750000 0.711376 0.677268 O\n0.750000 0.211376 0.822732 O\n0.250000 0.788624 0.177268 O\n",
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{
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"structure_string": "Sr4 Nb8 O24\n1.0\n5.657940 0.000000 0.000000\n0.000000 7.850032 0.000000\n0.000000 0.060675 11.219926\nSr Nb O\n4 8 24\ndirect\n0.464787 0.249914 0.960215 Sr\n0.964787 0.750086 0.539785 Sr\n0.535213 0.750086 0.039785 Sr\n0.035213 0.249914 0.460215 Sr\n0.523872 0.014308 0.356204 Nb\n0.023872 0.985692 0.143796 Nb\n0.476128 0.985692 0.643796 Nb\n0.976128 0.014308 0.856204 Nb\n0.533234 0.526035 0.357709 Nb\n0.033234 0.473965 0.142291 Nb\n0.466766 0.473965 0.642291 Nb\n0.966766 0.526035 0.857709 Nb\n0.642148 0.751601 0.371834 O\n0.142148 0.248399 0.128166 O\n0.357852 0.248399 0.628166 O\n0.857852 0.751601 0.871834 O\n0.463915 0.250762 0.353958 O\n0.963915 0.749238 0.146042 O\n0.536085 0.749238 0.646042 O\n0.036085 0.250762 0.853958 O\n0.643781 0.447569 0.786266 O\n0.143781 0.552431 0.713734 O\n0.356219 0.552431 0.213734 O\n0.856219 0.447569 0.286266 O\n0.779117 0.033775 0.025267 O\n0.279117 0.966225 0.474733 O\n0.220883 0.966225 0.974733 O\n0.720883 0.033775 0.525267 O\n0.721614 0.466350 0.525267 O\n0.221614 0.533650 0.974733 O\n0.278386 0.533650 0.474733 O\n0.778386 0.466350 0.025267 O\n0.638128 0.048812 0.787420 O\n0.138128 0.951188 0.712580 O\n0.361872 0.951188 0.212580 O\n0.861872 0.048812 0.287420 O\n",
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{
"id": "mp-1206663",
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"structure_string": "Gd2 Br2 O4\n1.0\n3.832518 0.000000 0.000000\n0.000000 6.063995 0.000000\n0.000000 2.973716 6.260639\nGd Br O\n2 2 4\ndirect\n0.250000 0.203894 0.596981 Gd\n0.750000 0.796106 0.403019 Gd\n0.250000 0.743417 0.041097 Br\n0.750000 0.256583 0.958903 Br\n0.250000 0.597729 0.576827 O\n0.750000 0.402271 0.423173 O\n0.250000 0.039252 0.352031 O\n0.750000 0.960748 0.647969 O\n",
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