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{
"id": "mp-1222770",
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{
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{
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{
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{
"id": "mp-21742",
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"structure_string": "Ba20 Al4 Ir8 O44\n1.0\n5.836725 0.000000 0.000000\n0.000000 11.256607 0.000000\n0.000000 0.000000 18.971106\nBa Al Ir O\n20 4 8 44\ndirect\n0.750000 0.604524 0.026584 Ba\n0.250000 0.874314 0.252771 Ba\n0.750000 0.045825 0.328068 Ba\n0.750000 0.895476 0.526584 Ba\n0.250000 0.473001 0.426505 Ba\n0.750000 0.454175 0.828068 Ba\n0.250000 0.395476 0.973416 Ba\n0.750000 0.125686 0.747229 Ba\n0.250000 0.625686 0.752771 Ba\n0.750000 0.973001 0.073495 Ba\n0.250000 0.104524 0.473416 Ba\n0.750000 0.692201 0.360859 Ba\n0.750000 0.807799 0.860859 Ba\n0.250000 0.192201 0.139141 Ba\n0.750000 0.374314 0.247229 Ba\n0.750000 0.526999 0.573495 Ba\n0.250000 0.545825 0.171932 Ba\n0.250000 0.307799 0.639141 Ba\n0.250000 0.954175 0.671932 Ba\n0.250000 0.026999 0.926505 Ba\n0.750000 0.739797 0.187647 Al\n0.250000 0.239797 0.312353 Al\n0.750000 0.760203 0.687647 Al\n0.250000 0.260203 0.812353 Al\n0.750000 0.288583 0.062366 Ir\n0.250000 0.794708 0.063408 Ir\n0.250000 0.788583 0.437634 Ir\n0.750000 0.205292 0.936592 Ir\n0.750000 0.294708 0.436592 Ir\n0.250000 0.711417 0.937634 Ir\n0.750000 0.211417 0.562366 Ir\n0.250000 0.705292 0.563408 Ir\n0.250000 0.881731 0.531419 O\n0.501620 0.250350 0.365140 O\n0.750000 0.599666 0.228414 O\n0.515274 0.326423 0.513649 O\n0.250000 0.359554 0.253439 O\n0.498380 0.750350 0.134860 O\n0.001620 0.749650 0.634860 O\n0.515480 0.104626 0.600413 O\n0.484726 0.826423 0.986351 O\n0.015274 0.673577 0.486351 O\n0.750000 0.900334 0.728414 O\n0.250000 0.400334 0.771586 O\n0.750000 0.118269 0.468581 O\n0.250000 0.542366 0.599544 O\n0.484726 0.673577 0.486351 O\n0.250000 0.618269 0.031419 O\n0.001620 0.750350 0.134860 O\n0.484520 0.604626 0.899587 O\n0.984520 0.395374 0.100413 O\n0.015480 0.895374 0.399587 O\n0.250000 0.140446 0.753439 O\n0.750000 0.457634 0.400456 O\n0.750000 0.309618 0.649555 O\n0.015480 0.604626 0.899587 O\n0.515274 0.173577 0.013649 O\n0.250000 0.957634 0.099544 O\n0.750000 0.381731 0.968581 O\n0.750000 0.042366 0.900456 O\n0.750000 0.190382 0.149555 O\n0.984726 0.173577 0.013649 O\n0.250000 0.690382 0.350445 O\n0.250000 0.809618 0.850445 O\n0.984520 0.104626 0.600413 O\n0.998380 0.250350 0.365140 O\n0.750000 0.640446 0.746561 O\n0.501620 0.249650 0.865140 O\n0.250000 0.099666 0.271586 O\n0.984726 0.326423 0.513649 O\n0.750000 0.859554 0.246561 O\n0.484520 0.895374 0.399587 O\n0.015274 0.826423 0.986351 O\n0.515480 0.395374 0.100413 O\n0.498380 0.749650 0.634860 O\n0.998380 0.249650 0.865140 O\n",
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"formula_full": "Ba20 Al4 Ir8 O44",
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{
"id": "mp-1222170",
"created_at": "2022-09-04T14:41:46.185267Z",
"structure_string": "Mg3 Mn1 Ni3 O8\n1.0\n5.137887 -2.997329 0.000000\n5.137887 2.997329 0.000000\n3.389312 0.000000 4.888193\nMg Mn Ni O\n3 1 3 8\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.748890 0.748890 0.748890 O\n0.251110 0.251110 0.251110 O\n0.770507 0.770507 0.230318 O\n0.230318 0.770507 0.770507 O\n0.770507 0.230318 0.770507 O\n0.229493 0.229493 0.769682 O\n0.769682 0.229493 0.229493 O\n0.229493 0.769682 0.229493 O\n",
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{
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"structure_string": "Ca10 Si4 H2 O18 F2\n1.0\n8.871099 0.000000 0.000000\n0.000000 7.145043 0.000000\n0.000000 2.457741 7.051519\nCa Si H O F\n10 4 2 18 2\ndirect\n0.252217 0.948581 0.336499 Ca\n0.563348 0.186795 0.115213 Ca\n0.859607 0.923550 0.289306 Ca\n0.394700 0.600915 0.248254 Ca\n0.563388 0.612699 0.657899 Ca\n0.752217 0.051419 0.663501 Ca\n0.063348 0.813205 0.884787 Ca\n0.359607 0.076450 0.710694 Ca\n0.894700 0.399085 0.751746 Ca\n0.063388 0.387301 0.342101 Ca\n0.759675 0.459782 0.330821 Si\n0.731785 0.634345 0.965541 Si\n0.259675 0.540218 0.669179 Si\n0.231785 0.365655 0.034459 Si\n0.596245 0.768802 0.882048 H\n0.096245 0.231198 0.117952 H\n0.374357 0.399360 0.868706 O\n0.238802 0.006629 0.001911 O\n0.784767 0.227080 0.336843 O\n0.116023 0.458298 0.817986 O\n0.551744 0.948451 0.528543 O\n0.899389 0.061287 0.970587 O\n0.698704 0.428665 0.912742 O\n0.048721 0.133798 0.632089 O\n0.339187 0.260281 0.235873 O\n0.874357 0.600640 0.131294 O\n0.738802 0.993371 0.998089 O\n0.284767 0.772920 0.663157 O\n0.616023 0.541702 0.182014 O\n0.051744 0.051549 0.471457 O\n0.399389 0.938713 0.029413 O\n0.198704 0.571335 0.087258 O\n0.548721 0.866202 0.367911 O\n0.839187 0.739719 0.764127 O\n0.058341 0.707242 0.383685 F\n0.558341 0.292758 0.616315 F\n",
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{
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"structure_string": "Sc4 Si8 Rh4\n1.0\n4.043635 0.000000 0.000000\n0.000000 6.346391 0.000000\n0.000000 0.000000 9.581783\nSc Si Rh\n4 8 4\ndirect\n0.250000 0.240025 0.682175 Sc\n0.250000 0.740025 0.817825 Sc\n0.750000 0.759975 0.317825 Sc\n0.750000 0.259975 0.182175 Sc\n0.250000 0.231397 0.971458 Si\n0.750000 0.768603 0.028542 Si\n0.250000 0.731397 0.528542 Si\n0.750000 0.268603 0.471458 Si\n0.250000 0.956570 0.158481 Si\n0.750000 0.543430 0.658481 Si\n0.250000 0.456570 0.341519 Si\n0.750000 0.043430 0.841519 Si\n0.750000 0.916039 0.599657 Rh\n0.250000 0.083961 0.400343 Rh\n0.750000 0.416039 0.900343 Rh\n0.250000 0.583961 0.099657 Rh\n",
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{
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{
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{
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]
}