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{
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{
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{
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{
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"structure_string": "Sr2 Zr2 F12\n1.0\n3.843999 -5.550670 0.000000\n3.843999 5.550670 0.000000\n0.000000 0.000000 5.393370\nSr Zr F\n2 2 12\ndirect\n0.250000 0.750000 0.457501 Sr\n0.750000 0.250000 0.542499 Sr\n0.750000 0.750000 0.000000 Zr\n0.250000 0.250000 0.000000 Zr\n0.682638 0.939451 0.260435 F\n0.317362 0.060549 0.739565 F\n0.817362 0.560549 0.260435 F\n0.560549 0.817362 0.739565 F\n0.182638 0.439451 0.739565 F\n0.439451 0.182638 0.260435 F\n0.939451 0.682638 0.739565 F\n0.060549 0.317362 0.260435 F\n0.424086 0.575914 0.156831 F\n0.575914 0.424086 0.843169 F\n0.075914 0.924086 0.156831 F\n0.924086 0.075914 0.843169 F\n",
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{
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"structure_string": "Li8 V8 P12 O48\n1.0\n8.636313 0.000000 0.000000\n0.000000 8.761404 0.000000\n0.000000 0.000000 12.105947\nLi V P O\n8 8 12 48\ndirect\n0.712513 0.779561 0.316582 Li\n0.787487 0.279561 0.183418 Li\n0.787487 0.220439 0.816582 Li\n0.712513 0.720439 0.683418 Li\n0.287487 0.220439 0.683418 Li\n0.212513 0.720439 0.816582 Li\n0.212513 0.779561 0.183418 Li\n0.287487 0.279561 0.316582 Li\n0.746684 0.966018 0.112657 V\n0.753316 0.466018 0.387343 V\n0.753316 0.033982 0.612657 V\n0.746684 0.533982 0.887343 V\n0.253316 0.033982 0.887343 V\n0.246684 0.533982 0.612657 V\n0.246684 0.966018 0.387343 V\n0.253316 0.466018 0.112657 V\n0.894657 0.606827 0.146283 P\n0.605343 0.106827 0.353717 P\n0.605343 0.393173 0.646283 P\n0.894657 0.893173 0.853717 P\n0.105343 0.393173 0.853717 P\n0.394657 0.893173 0.646283 P\n0.394657 0.606827 0.353717 P\n0.105343 0.106827 0.146283 P\n0.962666 0.750000 0.500000 P\n0.537334 0.250000 0.000000 P\n0.037334 0.250000 0.500000 P\n0.462666 0.750000 0.000000 P\n0.836900 0.768462 0.176209 O\n0.663100 0.268462 0.323791 O\n0.663100 0.231538 0.676209 O\n0.836900 0.731538 0.823791 O\n0.163100 0.231538 0.823791 O\n0.336900 0.731538 0.676209 O\n0.336900 0.768462 0.323791 O\n0.163100 0.268462 0.176209 O\n0.855674 0.665961 0.417399 O\n0.644326 0.165961 0.082601 O\n0.644326 0.334039 0.917399 O\n0.855674 0.834039 0.582601 O\n0.144326 0.334039 0.582601 O\n0.355674 0.834039 0.917399 O\n0.355674 0.665961 0.082601 O\n0.144326 0.165961 0.417399 O\n0.573964 0.605622 0.344319 O\n0.926036 0.105622 0.155681 O\n0.926036 0.394378 0.844319 O\n0.573964 0.894378 0.655681 O\n0.426036 0.394378 0.655681 O\n0.073964 0.894378 0.844319 O\n0.073964 0.605622 0.155681 O\n0.426036 0.105622 0.344319 O\n0.845096 0.556864 0.029956 O\n0.654904 0.056864 0.470044 O\n0.654904 0.443136 0.529956 O\n0.845096 0.943136 0.970044 O\n0.154904 0.443136 0.970044 O\n0.345096 0.943136 0.529956 O\n0.345096 0.556864 0.470044 O\n0.154904 0.056864 0.029956 O\n0.560566 0.862498 0.067310 O\n0.939434 0.362498 0.432690 O\n0.939434 0.137502 0.567310 O\n0.560566 0.637502 0.932690 O\n0.439434 0.137502 0.932690 O\n0.060566 0.637502 0.567310 O\n0.060566 0.862498 0.432690 O\n0.439434 0.362498 0.067310 O\n0.673679 0.987921 0.271390 O\n0.826321 0.487921 0.228610 O\n0.826321 0.012079 0.771390 O\n0.673679 0.512079 0.728610 O\n0.326321 0.012079 0.728610 O\n0.173679 0.512079 0.771390 O\n0.173679 0.987921 0.228610 O\n0.326321 0.487921 0.271390 O\n",
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{
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"structure_string": "Rb2 Zn1 P4 H8 O16\n1.0\n6.686164 -0.013074 2.241622\n0.131240 7.411435 1.013786\n-0.074478 -0.029975 7.784413\nRb Zn P H O\n2 1 4 8 16\ndirect\n0.403735 0.282059 0.211065 Rb\n0.596265 0.717941 0.788935 Rb\n0.000000 0.500000 0.000000 Zn\n0.739417 0.801125 0.250718 P\n0.260583 0.198875 0.749282 P\n0.150788 0.740939 0.259186 P\n0.849212 0.259061 0.740814 P\n0.422504 0.737876 0.411289 H\n0.577496 0.262124 0.588711 H\n0.229801 0.969242 0.041232 H\n0.770199 0.030758 0.958768 H\n0.883406 0.308323 0.351196 H\n0.116594 0.691677 0.648804 H\n0.885280 0.176644 0.204926 H\n0.114720 0.823356 0.795074 H\n0.745708 0.653515 0.133205 O\n0.254292 0.346485 0.866795 O\n0.552585 0.788200 0.424231 O\n0.447415 0.211800 0.575769 O\n0.764725 0.993281 0.152824 O\n0.235275 0.006719 0.847176 O\n0.912453 0.765765 0.350911 O\n0.087547 0.234235 0.649089 O\n0.190792 0.617806 0.111497 O\n0.809208 0.382194 0.888503 O\n0.228974 0.674849 0.417964 O\n0.771026 0.325151 0.582036 O\n0.234424 0.934429 0.174504 O\n0.765576 0.065571 0.825496 O\n0.947993 0.285357 0.222889 O\n0.052007 0.714643 0.777111 O\n",
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{
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"structure_string": "Mo2 H8 O10\n1.0\n3.997012 0.000000 0.000000\n0.000000 6.851926 0.000000\n0.000000 0.164996 7.849023\nMo H O\n2 8 10\ndirect\n0.584800 0.993598 0.282753 Mo\n0.415200 0.993598 0.782753 Mo\n0.091509 0.454960 0.930298 H\n0.934345 0.584208 0.071448 H\n0.065655 0.584208 0.571448 H\n0.908491 0.454960 0.430298 H\n0.605498 0.331073 0.129549 H\n0.356606 0.647242 0.316831 H\n0.643394 0.647242 0.816831 H\n0.394502 0.331073 0.629549 H\n0.488312 0.999631 0.004431 O\n0.511688 0.999631 0.504431 O\n0.878596 0.503993 0.974803 O\n0.121404 0.503993 0.474803 O\n0.023809 0.985648 0.262302 O\n0.976191 0.985648 0.762302 O\n0.533708 0.270953 0.238572 O\n0.522120 0.717317 0.243413 O\n0.477880 0.717317 0.743413 O\n0.466292 0.270953 0.738572 O\n",
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{
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"structure_string": "Ba4 Cu2 Te2 O12\n1.0\n2.909792 5.176428 0.000000\n-2.909792 5.176428 0.000000\n0.000000 3.238284 9.768982\nBa Cu Te O\n4 2 2 12\ndirect\n0.872303 0.872303 0.375401 Ba\n0.127696 0.127697 0.624599 Ba\n0.285758 0.285758 0.145483 Ba\n0.714242 0.714242 0.854517 Ba\n0.404192 0.404192 0.784281 Cu\n0.595808 0.595808 0.215719 Cu\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.634191 0.634191 0.596873 O\n0.365809 0.365809 0.403127 O\n0.190078 0.713603 0.885785 O\n0.374619 0.835649 0.369513 O\n0.185570 0.185570 0.874315 O\n0.286397 0.809922 0.114215 O\n0.835649 0.374619 0.369513 O\n0.713603 0.190078 0.885785 O\n0.625381 0.164351 0.630487 O\n0.809922 0.286397 0.114215 O\n0.814430 0.814430 0.125685 O\n0.164351 0.625381 0.630487 O\n",
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{
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"formula_full": "Ho4 P20 O56",
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"updated_at": "2021-11-28T01:37:56.399000Z",
"spacegroup": 15
},
{
"id": "mp-1200039",
"created_at": "2022-09-04T14:47:07.215096Z",
"structure_string": "H16 Br4 N4 O16\n1.0\n0.000000 6.218691 0.000000\n0.000000 0.000000 7.816098\n9.635233 0.000000 0.000000\nH Br N O\n16 4 4 16\ndirect\n0.750000 0.223275 0.877411 H\n0.750000 0.276725 0.377411 H\n0.250000 0.776725 0.122589 H\n0.250000 0.723275 0.622589 H\n0.750000 0.308451 0.717205 H\n0.750000 0.191549 0.217205 H\n0.250000 0.691549 0.282795 H\n0.250000 0.808451 0.782795 H\n0.615624 0.406056 0.846915 H\n0.884376 0.093944 0.346915 H\n0.115624 0.593944 0.153085 H\n0.384376 0.906056 0.653085 H\n0.384376 0.593944 0.153085 H\n0.115624 0.906056 0.653085 H\n0.884376 0.406056 0.846915 H\n0.615624 0.093944 0.346915 H\n0.250000 0.313575 0.573820 Br\n0.250000 0.186425 0.073820 Br\n0.750000 0.686425 0.426180 Br\n0.750000 0.813575 0.926180 Br\n0.750000 0.335927 0.821796 N\n0.750000 0.164073 0.321796 N\n0.250000 0.664073 0.178204 N\n0.250000 0.835927 0.678204 N\n0.466137 0.189707 0.582156 O\n0.033863 0.310293 0.082156 O\n0.966137 0.810293 0.417844 O\n0.533863 0.689707 0.917844 O\n0.533863 0.810293 0.417844 O\n0.966137 0.689707 0.917844 O\n0.033863 0.189707 0.582156 O\n0.466137 0.310293 0.082156 O\n0.250000 0.447612 0.706445 O\n0.250000 0.052388 0.206445 O\n0.750000 0.552388 0.293555 O\n0.750000 0.947612 0.793555 O\n0.250000 0.420222 0.427062 O\n0.250000 0.079778 0.927062 O\n0.750000 0.579778 0.572938 O\n0.750000 0.920222 0.072938 O\n",
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{
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{
"id": "mp-1516973",
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"structure_string": "Ba2 Sr1 Fe1 O6\n1.0\n0.000000 -4.274954 -4.274954\n4.274954 -0.000000 -4.274954\n4.274954 -4.274954 0.000000\nBa Sr Fe O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 -0.000000 -0.000000 Fe\n0.779243 0.220757 0.220757 O\n0.220757 0.779243 0.779243 O\n0.779243 0.220757 0.779243 O\n0.220757 0.779243 0.220757 O\n0.779243 0.779243 0.220757 O\n0.220757 0.220757 0.779243 O\n",
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]
}