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{
"count": 55712,
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"results": [
{
"id": "jvasp-21541",
"created_at": "2022-09-04T14:38:36.080647Z",
"updated_at": "2022-09-04T14:38:36.080675Z",
"structure_string": "Ba5 Mg18 Si13\n1.0\n7.286059 -12.619825 0.000000\n7.286059 12.619825 0.000000\n0.000000 0.000000 4.502571\nBa Mg Si\n5 18 13\ndirect\n0.180048 0.000000 0.500000 Ba\n0.819952 0.819952 0.500000 Ba\n0.000000 0.180048 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.195325 0.373020 0.000000 Mg\n0.557823 0.000000 0.000000 Mg\n0.442177 0.442177 0.000000 Mg\n0.000000 0.557823 0.000000 Mg\n0.122209 0.483514 0.500000 Mg\n0.516487 0.638695 0.500000 Mg\n0.638695 0.516487 0.500000 Mg\n0.877792 0.361305 0.500000 Mg\n0.361305 0.877792 0.500000 Mg\n0.721902 0.000000 0.500000 Mg\n0.278098 0.278098 0.500000 Mg\n0.000000 0.721902 0.500000 Mg\n0.177694 0.804675 0.000000 Mg\n0.804675 0.177694 0.000000 Mg\n0.822306 0.626980 0.000000 Mg\n0.373020 0.195325 0.000000 Mg\n0.626980 0.822306 0.000000 Mg\n0.483514 0.122209 0.500000 Mg\n0.629285 0.629285 0.000000 Si\n0.000000 0.370715 0.000000 Si\n0.832692 0.000000 0.000000 Si\n0.167307 0.167307 0.000000 Si\n0.000000 0.832692 0.000000 Si\n0.833271 0.524866 0.500000 Si\n0.524866 0.833271 0.500000 Si\n0.308405 0.475134 0.500000 Si\n0.475134 0.308405 0.500000 Si\n0.166730 0.691595 0.500000 Si\n0.370715 0.000000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.691595 0.166730 0.500000 Si\n",
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{
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"structure_string": "Na24 In5 O15\n1.0\n9.125083 -0.000000 -3.226205\n-4.562541 7.902554 -3.226205\n0.000000 0.000000 9.678613\nNa In O\n24 5 15\ndirect\n0.545462 0.263969 0.545462 Na\n0.718506 -0.000000 0.454538 Na\n0.263969 0.545462 0.545462 Na\n0.454538 0.718506 0.000000 Na\n0.783498 0.783498 0.219691 Na\n0.436192 0.216502 0.000000 Na\n-0.000000 0.454538 0.718507 Na\n0.736030 0.281493 0.281494 Na\n-0.000000 0.436192 0.216502 Na\n0.545462 0.545462 0.263969 Na\n0.281493 0.736030 0.281494 Na\n-0.000000 0.718506 0.454538 Na\n0.281493 0.281493 0.736030 Na\n0.718506 0.454538 0.000000 Na\n0.783498 0.219690 0.783498 Na\n0.563808 0.780309 0.563808 Na\n0.219690 0.783498 0.783498 Na\n-0.000000 0.216502 0.436192 Na\n0.563808 0.563808 0.780310 Na\n0.436192 -0.000000 0.216502 Na\n0.780309 0.563808 0.563808 Na\n0.454538 -0.000000 0.718507 Na\n0.216502 -0.000000 0.436192 Na\n0.216502 0.436192 0.000000 Na\n0.000000 0.000000 0.000000 In\n0.285995 0.285995 0.285996 In\n0.714004 0.000000 0.000000 In\n-0.000000 -0.000000 0.714004 In\n-0.000000 0.714004 0.000000 In\n-0.000000 0.691922 0.215112 O\n0.784888 0.784888 0.476811 O\n0.523189 0.308078 0.308078 O\n0.784888 0.476810 0.784889 O\n0.691922 0.215111 0.000000 O\n0.308078 0.523189 0.308078 O\n0.476810 0.784888 0.784889 O\n-0.000000 0.215111 0.691922 O\n0.215111 -0.000000 0.691922 O\n0.500000 -0.000000 0.500000 O\n0.215111 0.691922 0.000000 O\n0.308078 0.308078 0.523189 O\n0.500000 0.500000 0.000000 O\n0.691922 0.000000 0.215112 O\n-0.000000 0.500000 0.500000 O\n",
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"spacegroup": 217
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{
"id": "jvasp-96825",
"created_at": "2022-09-04T14:36:21.022884Z",
"updated_at": "2022-09-04T14:36:21.022918Z",
"structure_string": "K17 Fe5 O16\n1.0\n6.659178 -0.018022 0.595612\n3.181054 5.734153 1.211381\n-0.008837 -0.005048 18.400229\nK Fe O\n17 5 16\ndirect\n0.880614 0.083563 0.832982 K\n0.474848 0.684565 0.723328 K\n0.001464 0.499378 0.905846 K\n0.001459 0.405235 0.094154 K\n0.022858 0.310045 0.280232 K\n0.474839 0.407912 0.276671 K\n0.880600 0.916565 0.167019 K\n0.004431 0.208281 0.468445 K\n0.458261 0.782738 0.547414 K\n0.456344 0.588667 0.907657 K\n0.608138 0.164891 0.664112 K\n0.582364 0.994170 0.000003 K\n0.456341 0.496339 0.092341 K\n0.022879 0.590257 0.719770 K\n0.608120 0.829024 0.335889 K\n0.458254 0.330153 0.452586 K\n0.004432 0.676723 0.531559 K\n0.391523 0.908056 0.179843 Fe\n0.391539 0.087876 0.820157 Fe\n0.082927 0.178863 0.640673 Fe\n0.073663 0.997462 -0.000002 Fe\n0.082924 0.819531 0.359326 Fe\n0.787970 0.266560 -0.000001 O\n0.247520 0.040541 0.914234 O\n0.801034 0.083712 0.372827 O\n0.299555 0.788518 0.425562 O\n0.063563 0.541413 0.376774 O\n0.801035 0.456541 0.627170 O\n0.299563 0.214082 0.574439 O\n0.192614 0.123378 0.743435 O\n0.677662 0.824197 0.812321 O\n0.063570 0.918185 0.623227 O\n0.410321 0.361956 0.812183 O\n0.677646 0.636540 0.187677 O\n0.192601 0.866835 0.256566 O\n0.410302 0.174167 0.187815 O\n0.056676 0.725541 -0.000003 O\n0.247495 0.954778 0.085769 O\n",
"nsites": 38,
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{
"id": "jvasp-23622",
"created_at": "2022-09-04T14:37:41.625738Z",
"updated_at": "2022-09-04T14:37:41.625760Z",
"structure_string": "K5 Pb24\n1.0\n10.186119 -0.000000 -3.601337\n-5.093059 8.821437 -3.601337\n-0.000000 0.000000 10.804010\nK Pb\n5 24\ndirect\n0.000000 0.000000 0.361451 K\n0.000000 0.361451 -0.000000 K\n0.361451 0.000000 -0.000000 K\n0.638549 0.638549 0.638548 K\n0.000000 0.000000 0.000000 K\n0.801336 0.610560 -0.000000 Pb\n0.000000 0.801336 0.610560 Pb\n0.809224 0.198664 0.198664 Pb\n0.680770 0.278165 0.680770 Pb\n0.721835 0.402605 0.402605 Pb\n0.402605 0.402605 0.721835 Pb\n0.597395 0.319230 -0.000000 Pb\n0.000000 0.319230 0.597395 Pb\n0.680771 0.680771 0.278165 Pb\n0.319230 0.597395 -0.000000 Pb\n0.597395 0.000000 0.319229 Pb\n0.000000 0.597395 0.319230 Pb\n0.610560 0.801336 -0.000000 Pb\n0.278165 0.680771 0.680770 Pb\n0.402605 0.721835 0.402605 Pb\n0.198664 0.198664 0.809224 Pb\n0.389440 0.190776 0.389440 Pb\n0.190776 0.389440 0.389440 Pb\n0.000000 0.610560 0.801336 Pb\n0.610560 0.000000 0.801336 Pb\n0.801336 0.000000 0.610560 Pb\n0.198664 0.809224 0.198664 Pb\n0.319230 0.000000 0.597395 Pb\n0.389440 0.389440 0.190776 Pb\n",
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{
"id": "jvasp-57672",
"created_at": "2022-09-04T14:38:33.349707Z",
"updated_at": "2022-09-04T14:38:33.349729Z",
"structure_string": "Y5 Mg24\n1.0\n9.184423 -0.000000 -3.247184\n-4.592212 7.953943 -3.247184\n0.000000 0.000000 9.741551\nY Mg\n5 24\ndirect\n0.000000 0.000000 0.000000 Y\n0.376686 0.000000 0.000000 Y\n-0.000000 0.376686 0.000000 Y\n-0.000000 -0.000000 0.376686 Y\n0.623313 0.623313 0.623314 Y\n0.809077 -0.000000 0.629417 Mg\n0.190923 0.820339 0.190923 Mg\n0.820339 0.190923 0.190923 Mg\n-0.000000 0.809077 0.629417 Mg\n0.809077 0.629417 0.000000 Mg\n0.629417 0.809077 0.000000 Mg\n0.370583 0.370583 0.179661 Mg\n0.676277 0.676277 0.289315 Mg\n0.386963 0.710685 0.386964 Mg\n0.190923 0.190923 0.820339 Mg\n0.613036 -0.000000 0.323723 Mg\n0.323723 -0.000000 0.613036 Mg\n0.676277 0.289314 0.676277 Mg\n0.289314 0.676277 0.676277 Mg\n-0.000000 0.323723 0.613036 Mg\n0.323723 0.613036 0.000000 Mg\n0.613036 0.323723 0.000000 Mg\n0.386963 0.386963 0.710686 Mg\n0.629417 -0.000000 0.809077 Mg\n-0.000000 0.629417 0.809077 Mg\n0.179661 0.370583 0.370583 Mg\n0.370583 0.179661 0.370583 Mg\n-0.000000 0.613036 0.323723 Mg\n0.710685 0.386963 0.386964 Mg\n",
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{
"id": "jvasp-97326",
"created_at": "2022-09-04T14:36:00.679864Z",
"updated_at": "2022-09-04T14:36:00.679891Z",
"structure_string": "Zr5 Re24\n1.0\n8.005029 0.000000 -2.830205\n-4.002515 6.932559 -2.830205\n-0.000000 -0.000000 8.490616\nZr Re\n5 24\ndirect\n0.000000 0.000000 0.000000 Zr\n0.629113 0.629113 0.629113 Zr\n0.370887 -0.000000 -0.000000 Zr\n0.000000 0.370887 -0.000000 Zr\n0.000000 0.000000 0.370887 Zr\n0.182866 0.376829 0.376829 Re\n0.000000 0.623171 0.806037 Re\n0.623171 -0.000000 0.806037 Re\n0.806037 -0.000000 0.623171 Re\n0.193964 0.817134 0.193963 Re\n0.817134 0.193963 0.193963 Re\n0.000001 0.806037 0.623171 Re\n0.806037 0.623171 -0.000001 Re\n0.623172 0.806037 -0.000001 Re\n0.376829 0.376829 0.182866 Re\n0.677629 0.677628 0.280990 Re\n0.719010 0.396638 0.396638 Re\n0.376829 0.182866 0.376829 Re\n0.000000 0.603362 0.322372 Re\n0.603362 -0.000000 0.322372 Re\n0.322372 -0.000000 0.603362 Re\n0.677629 0.280990 0.677628 Re\n0.280991 0.677628 0.677628 Re\n0.000000 0.322372 0.603362 Re\n0.322372 0.603362 -0.000000 Re\n0.603362 0.322372 -0.000000 Re\n0.396638 0.396638 0.719010 Re\n0.396639 0.719010 0.396638 Re\n0.193963 0.193963 0.817134 Re\n",
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{
"id": "jvasp-20439",
"created_at": "2022-09-04T14:38:35.095344Z",
"updated_at": "2022-09-04T14:38:35.095368Z",
"structure_string": "Er5 Mg24\n1.0\n9.136328 0.000000 -3.230180\n-4.568164 7.912293 -3.230180\n-0.000000 0.000000 9.690539\nEr Mg\n5 24\ndirect\n0.000000 0.000000 0.000000 Er\n0.372527 -0.000000 0.000000 Er\n0.000000 0.372527 -0.000000 Er\n0.000000 0.000000 0.372527 Er\n0.627473 0.627473 0.627473 Er\n0.809275 -0.000000 0.628913 Mg\n0.190726 0.819639 0.190726 Mg\n0.819639 0.190726 0.190726 Mg\n0.000000 0.809274 0.628913 Mg\n0.809275 0.628913 0.000000 Mg\n0.628914 0.809274 0.000000 Mg\n0.371087 0.371087 0.180361 Mg\n0.677478 0.677477 0.288550 Mg\n0.388928 0.711450 0.388927 Mg\n0.190726 0.190726 0.819639 Mg\n0.611073 -0.000000 0.322523 Mg\n0.322523 -0.000000 0.611073 Mg\n0.677477 0.288550 0.677477 Mg\n0.288550 0.677477 0.677477 Mg\n0.000000 0.322523 0.611073 Mg\n0.322523 0.611073 -0.000000 Mg\n0.611073 0.322523 0.000000 Mg\n0.388927 0.388927 0.711450 Mg\n0.628913 -0.000000 0.809274 Mg\n0.000000 0.628913 0.809274 Mg\n0.180361 0.371087 0.371087 Mg\n0.371087 0.180361 0.371087 Mg\n0.000000 0.611073 0.322523 Mg\n0.711450 0.388927 0.388927 Mg\n",
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{
"id": "jvasp-20312",
"created_at": "2022-09-04T14:38:35.647843Z",
"updated_at": "2022-09-04T14:38:35.647863Z",
"structure_string": "Ti5 Re24\n1.0\n7.894239 0.000000 -2.791036\n-3.947119 6.836612 -2.791036\n-0.000000 -0.000000 8.373105\nTi Re\n5 24\ndirect\n0.000000 0.000000 0.000000 Ti\n0.633943 0.633943 0.633942 Ti\n0.366057 -0.000000 -0.000000 Ti\n-0.000000 0.366056 -0.000000 Ti\n0.000000 0.000000 0.366056 Ti\n0.182921 0.375736 0.375735 Re\n-0.000000 0.624264 0.807184 Re\n0.624264 0.000000 0.807184 Re\n0.807185 -0.000000 0.624263 Re\n0.192815 0.817079 0.192814 Re\n0.817079 0.192815 0.192814 Re\n-0.000000 0.807185 0.624263 Re\n0.807185 0.624264 -0.000001 Re\n0.624264 0.807185 -0.000001 Re\n0.375736 0.375736 0.182920 Re\n0.683187 0.683187 0.281996 Re\n0.718002 0.401190 0.401190 Re\n0.375736 0.182921 0.375736 Re\n-0.000000 0.598809 0.316812 Re\n0.598810 -0.000000 0.316812 Re\n0.316813 0.000000 0.598809 Re\n0.683187 0.281997 0.683186 Re\n0.281996 0.683187 0.683186 Re\n-0.000000 0.316813 0.598809 Re\n0.316813 0.598809 -0.000001 Re\n0.598810 0.316813 -0.000001 Re\n0.401190 0.401190 0.718002 Re\n0.401190 0.718002 0.401190 Re\n0.192815 0.192815 0.817078 Re\n",
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{
"id": "jvasp-20271",
"created_at": "2022-09-04T14:38:35.006277Z",
"updated_at": "2022-09-04T14:38:35.006293Z",
"structure_string": "Tm5 Mg24\n1.0\n9.122518 0.000000 -3.225297\n-4.561259 7.900333 -3.225297\n-0.000000 -0.000000 9.675892\nTm Mg\n5 24\ndirect\n0.000000 0.000000 0.000000 Tm\n0.371741 -0.000000 -0.000000 Tm\n-0.000000 0.371740 -0.000000 Tm\n0.000000 0.000000 0.371741 Tm\n0.628259 0.628259 0.628259 Tm\n0.809415 0.000000 0.628957 Mg\n0.190585 0.819541 0.190584 Mg\n0.819541 0.190585 0.190585 Mg\n-0.000000 0.809415 0.628957 Mg\n0.809415 0.628957 -0.000001 Mg\n0.628957 0.809415 -0.000001 Mg\n0.371043 0.371043 0.180458 Mg\n0.677786 0.677786 0.288449 Mg\n0.389338 0.711551 0.389337 Mg\n0.190585 0.190585 0.819541 Mg\n0.610662 0.000000 0.322214 Mg\n0.322214 0.000000 0.610662 Mg\n0.677786 0.288449 0.677785 Mg\n0.288449 0.677786 0.677785 Mg\n-0.000000 0.322214 0.610662 Mg\n0.322214 0.610662 -0.000000 Mg\n0.610662 0.322214 -0.000000 Mg\n0.389338 0.389338 0.711550 Mg\n0.628957 0.000000 0.809415 Mg\n-0.000000 0.628957 0.809414 Mg\n0.180459 0.371043 0.371042 Mg\n0.371043 0.180459 0.371043 Mg\n-0.000000 0.610662 0.322214 Mg\n0.711551 0.389338 0.389337 Mg\n",
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{
"id": "jvasp-52216",
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