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{
"id": "mp-703521",
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"structure_string": "Na10 P6 H24 O32\n1.0\n7.611665 0.000000 0.000000\n-0.368929 9.887513 0.000000\n-0.867580 -0.165642 10.415688\nNa P H O\n10 6 24 32\ndirect\n0.908856 0.065638 0.117635 Na\n0.091144 0.934362 0.882365 Na\n0.950618 0.410644 0.132206 Na\n0.049382 0.589356 0.867794 Na\n0.583180 0.062768 0.863209 Na\n0.416820 0.937232 0.136791 Na\n0.229596 0.241651 0.338659 Na\n0.770404 0.758349 0.661341 Na\n0.578105 0.449730 0.854085 Na\n0.421895 0.550270 0.145915 Na\n0.740104 0.254546 0.609030 P\n0.259896 0.745454 0.390970 P\n0.952363 0.265619 0.852608 P\n0.047637 0.734381 0.147392 P\n0.282279 0.236682 0.005131 P\n0.717721 0.763318 0.994869 P\n0.611773 0.280978 0.107366 H\n0.388227 0.719022 0.892634 H\n0.674874 0.234780 0.246092 H\n0.325126 0.765220 0.753908 H\n0.892852 0.090413 0.411996 H\n0.107148 0.909587 0.588004 H\n0.057212 0.008607 0.380016 H\n0.942788 0.991393 0.619984 H\n0.912912 0.395051 0.415477 H\n0.087088 0.604949 0.584523 H\n0.075066 0.489315 0.388101 H\n0.924934 0.510685 0.611899 H\n0.559909 0.416692 0.396339 H\n0.440091 0.583308 0.603661 H\n0.380211 0.487144 0.399505 H\n0.619789 0.512856 0.600495 H\n0.170989 0.242418 0.618459 H\n0.829011 0.757582 0.381541 H\n0.377566 0.251833 0.618806 H\n0.622434 0.748167 0.381194 H\n0.440470 0.911457 0.596703 H\n0.559530 0.088543 0.403297 H\n0.609111 0.003010 0.622144 H\n0.390889 0.996990 0.377856 H\n0.933594 0.268879 0.696942 O\n0.066406 0.731121 0.303058 O\n0.163286 0.288219 0.872295 O\n0.836714 0.711781 0.127705 O\n0.871129 0.389668 0.906510 O\n0.128871 0.610332 0.093490 O\n0.892832 0.127682 0.896517 O\n0.107168 0.872318 0.103483 O\n0.745417 0.380897 0.524167 O\n0.254583 0.619103 0.475833 O\n0.747976 0.120613 0.533212 O\n0.252024 0.879387 0.466788 O\n0.598126 0.252520 0.703443 O\n0.401874 0.747480 0.296557 O\n0.437018 0.340958 0.016795 O\n0.562982 0.659042 0.983205 O\n0.333745 0.093662 0.971445 O\n0.666255 0.906338 0.028555 O\n0.160407 0.244378 0.113904 O\n0.839593 0.755622 0.886096 O\n0.718166 0.252825 0.162793 O\n0.281834 0.747175 0.837207 O\n0.971976 0.072600 0.343077 O\n0.028024 0.927400 0.656923 O\n0.004763 0.409635 0.354250 O\n0.995237 0.590365 0.645750 O\n0.447124 0.429406 0.344488 O\n0.552876 0.570594 0.655512 O\n0.266405 0.245022 0.562292 O\n0.733595 0.754978 0.437708 O\n0.541108 0.929480 0.661847 O\n0.458892 0.070520 0.338153 O\n",
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"formula_reduced": "Na5P3(H3O4)4",
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{
"id": "mp-22102",
"created_at": "2022-09-04T14:39:36.192979Z",
"structure_string": "Na3 Ir1 N6 O12\n1.0\n5.528013 -4.043959 0.000000\n5.528013 4.043959 0.000000\n2.569698 0.000000 6.348952\nNa Ir N O\n3 1 6 12\ndirect\n0.734097 0.734097 0.734097 Na\n0.265903 0.265903 0.265903 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ir\n0.173376 0.799070 0.799070 N\n0.799070 0.799070 0.173376 N\n0.799070 0.173376 0.799070 N\n0.200930 0.826624 0.200930 N\n0.826624 0.200930 0.200930 N\n0.200930 0.200930 0.826624 N\n0.282239 0.912449 0.282239 O\n0.717761 0.087551 0.717761 O\n0.717761 0.717761 0.087551 O\n0.087551 0.717761 0.717761 O\n0.629237 0.240980 0.240980 O\n0.240980 0.240980 0.629237 O\n0.240980 0.629237 0.240980 O\n0.759020 0.370763 0.759020 O\n0.370763 0.759020 0.759020 O\n0.759020 0.759020 0.370763 O\n0.912449 0.282239 0.282239 O\n0.282239 0.282239 0.912449 O\n",
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{
"id": "mp-1040015",
"created_at": "2022-09-04T14:39:36.202800Z",
"structure_string": "Cs1 La1 Mg30 O32\n1.0\n8.740441 0.000000 0.000000\n0.000000 8.740441 0.000000\n0.000000 0.000000 8.892937\nCs La Mg O\n1 1 30 32\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 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 0.263570 0.254980 Mg\n0.000000 0.263570 0.745020 Mg\n0.000000 0.736430 0.254980 Mg\n0.000000 0.736430 0.745020 Mg\n0.500000 0.251799 0.251455 Mg\n0.500000 0.251799 0.748545 Mg\n0.500000 0.748201 0.251455 Mg\n0.500000 0.748201 0.748545 Mg\n0.263570 0.000000 0.254980 Mg\n0.263570 0.000000 0.745020 Mg\n0.251799 0.500000 0.251455 Mg\n0.251799 0.500000 0.748545 Mg\n0.736430 0.000000 0.254980 Mg\n0.736430 0.000000 0.745020 Mg\n0.748201 0.500000 0.251455 Mg\n0.748201 0.500000 0.748545 Mg\n0.258324 0.258324 0.000000 Mg\n0.255561 0.255561 0.500000 Mg\n0.258324 0.741676 0.000000 Mg\n0.255561 0.744439 0.500000 Mg\n0.741676 0.258324 0.000000 Mg\n0.744439 0.255561 0.500000 Mg\n0.741676 0.741676 0.000000 Mg\n0.744439 0.744439 0.500000 Mg\n0.272186 0.000000 0.000000 O\n0.286184 0.000000 0.500000 O\n0.254945 0.500000 0.000000 O\n0.257553 0.500000 0.500000 O\n0.727814 0.000000 0.000000 O\n0.713816 0.000000 0.500000 O\n0.745055 0.500000 0.000000 O\n0.742447 0.500000 0.500000 O\n0.249252 0.249252 0.249911 O\n0.249252 0.249252 0.750089 O\n0.249252 0.750748 0.249911 O\n0.249252 0.750748 0.750089 O\n0.750748 0.249252 0.249911 O\n0.750748 0.249252 0.750089 O\n0.750748 0.750748 0.249911 O\n0.750748 0.750748 0.750089 O\n0.000000 0.000000 0.235566 O\n0.000000 0.000000 0.764434 O\n0.000000 0.500000 0.245591 O\n0.000000 0.500000 0.754409 O\n0.500000 0.000000 0.245591 O\n0.500000 0.000000 0.754409 O\n0.500000 0.500000 0.248368 O\n0.500000 0.500000 0.751632 O\n0.000000 0.272186 0.000000 O\n0.000000 0.286184 0.500000 O\n0.000000 0.727814 0.000000 O\n0.000000 0.713816 0.500000 O\n0.500000 0.254945 0.000000 O\n0.500000 0.257553 0.500000 O\n0.500000 0.745055 0.000000 O\n0.500000 0.742447 0.500000 O\n",
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"formula_full": "Cs1 La1 Mg30 O32",
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{
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"structure_string": "Tb2 Ce2 O8\n1.0\n-2.798544 2.798544 5.226963\n2.798544 -2.798544 5.226963\n2.798544 2.798544 -5.226963\nTb Ce O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Ce\n0.250000 0.750000 0.500000 Ce\n0.875000 0.871422 0.496422 O\n0.375000 0.378578 0.503578 O\n0.621422 0.125000 0.996422 O\n0.128578 0.625000 0.003578 O\n0.621422 0.625000 0.496422 O\n0.128578 0.125000 0.503578 O\n0.375000 0.871422 0.996422 O\n0.875000 0.378578 0.003578 O\n",
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{
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{
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{
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{
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{
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{
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{
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"structure_string": "Li8 Fe8 Si16 O48\n1.0\n18.788163 -0.000008 -0.000002\n-0.000005 10.430840 0.000161\n-0.000001 0.000080 5.342757\nLi Fe Si O\n8 8 16 48\ndirect\n0.124367 0.446311 0.475401 Li\n0.124368 0.053678 0.975368 Li\n0.375630 0.553678 0.975373 Li\n0.375632 0.946312 0.475396 Li\n0.624368 0.053688 0.524604 Li\n0.624370 0.446322 0.024627 Li\n0.875633 0.553689 0.524599 Li\n0.875632 0.946322 0.024632 Li\n0.125079 0.038611 0.475583 Fe\n0.125068 0.461363 0.975623 Fe\n0.374929 0.961362 0.975625 Fe\n0.374921 0.538618 0.475589 Fe\n0.625079 0.461382 0.524411 Fe\n0.625071 0.038638 0.024375 Fe\n0.874921 0.961389 0.524417 Fe\n0.874932 0.538637 0.024377 Fe\n0.018124 0.667401 0.253644 Si\n0.018119 0.832608 0.753639 Si\n0.231742 0.666897 0.696522 Si\n0.231750 0.833085 0.196518 Si\n0.268258 0.166897 0.696523 Si\n0.268250 0.333085 0.196518 Si\n0.481876 0.167401 0.253643 Si\n0.481881 0.332609 0.753638 Si\n0.518119 0.667391 0.246362 Si\n0.518124 0.832599 0.746357 Si\n0.731750 0.666915 0.803482 Si\n0.731742 0.833103 0.303477 Si\n0.768250 0.166915 0.803482 Si\n0.768258 0.333103 0.303478 Si\n0.981881 0.167392 0.246361 Si\n0.981876 0.332599 0.746356 Si\n0.036150 0.733110 0.524582 O\n0.036156 0.766899 0.024575 O\n0.066363 0.129290 0.248195 O\n0.066358 0.370688 0.748210 O\n0.069296 0.541531 0.223488 O\n0.069295 0.958467 0.723467 O\n0.184163 0.126257 0.706943 O\n0.184153 0.373711 0.206968 O\n0.179462 0.957496 0.225279 O\n0.179449 0.542493 0.725320 O\n0.214492 0.766805 0.925212 O\n0.214481 0.733184 0.425213 O\n0.285509 0.266806 0.925210 O\n0.285518 0.233183 0.425213 O\n0.320538 0.457498 0.225282 O\n0.320552 0.042493 0.725316 O\n0.315838 0.626257 0.706940 O\n0.315847 0.873712 0.206970 O\n0.430704 0.041529 0.223487 O\n0.430706 0.458469 0.723467 O\n0.433638 0.629292 0.248198 O\n0.433642 0.870689 0.748206 O\n0.463850 0.233111 0.524581 O\n0.463844 0.266900 0.024574 O\n0.536156 0.733100 0.975426 O\n0.536150 0.766889 0.475419 O\n0.566358 0.129311 0.251794 O\n0.566362 0.370708 0.751802 O\n0.569294 0.541531 0.276533 O\n0.569296 0.958471 0.776513 O\n0.684153 0.126288 0.793030 O\n0.684162 0.373743 0.293060 O\n0.679448 0.957507 0.274684 O\n0.679462 0.542502 0.774718 O\n0.714482 0.766817 0.574787 O\n0.714491 0.733194 0.074790 O\n0.785519 0.266816 0.574787 O\n0.785508 0.233195 0.074788 O\n0.820551 0.457507 0.274680 O\n0.820538 0.042504 0.774721 O\n0.815847 0.626289 0.793032 O\n0.815837 0.873743 0.293057 O\n0.930705 0.041533 0.276533 O\n0.930704 0.458469 0.776512 O\n0.933642 0.629312 0.251790 O\n0.933637 0.870710 0.751805 O\n0.963844 0.233101 0.975425 O\n0.963850 0.266890 0.475418 O\n",
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{
"id": "mp-1212062",
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"structure_string": "K8 Dy4 Cl20\n1.0\n8.068751 0.000000 0.000000\n0.000000 8.575044 0.000000\n0.000000 0.000000 13.071350\nK Dy Cl\n8 4 20\ndirect\n0.533842 0.500575 0.825776 K\n0.466158 0.499425 0.174224 K\n0.033842 0.499425 0.674224 K\n0.466158 0.000575 0.174224 K\n0.966158 0.500575 0.325776 K\n0.533842 0.999425 0.825776 K\n0.966158 0.999425 0.325776 K\n0.033842 0.000575 0.674224 K\n0.573653 0.750000 0.502783 Dy\n0.426347 0.250000 0.497217 Dy\n0.073653 0.250000 0.997217 Dy\n0.926347 0.750000 0.002783 Dy\n0.831208 0.750000 0.804316 Cl\n0.168792 0.250000 0.195684 Cl\n0.331208 0.250000 0.695684 Cl\n0.668792 0.750000 0.304316 Cl\n0.365788 0.750000 0.664818 Cl\n0.634212 0.250000 0.335182 Cl\n0.865788 0.250000 0.835182 Cl\n0.134212 0.750000 0.164818 Cl\n0.910951 0.750000 0.512715 Cl\n0.089049 0.250000 0.487285 Cl\n0.410951 0.250000 0.987285 Cl\n0.589049 0.750000 0.012715 Cl\n0.653675 0.040525 0.580192 Cl\n0.346325 0.959475 0.419808 Cl\n0.153675 0.959475 0.919808 Cl\n0.346325 0.540525 0.419808 Cl\n0.846325 0.040525 0.080192 Cl\n0.653675 0.459475 0.580192 Cl\n0.846325 0.459475 0.080192 Cl\n0.153675 0.540525 0.919808 Cl\n",
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}