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{
"id": "mp-1229286",
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"formula_full": "Ba51 Pd24 O10",
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"spacegroup": 1
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{
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"structure_string": "Hg4 H4 Cl4 O16\n1.0\n4.776269 0.000000 0.000000\n0.000000 7.385101 0.000000\n0.000000 0.000000 11.698287\nHg H Cl O\n4 4 4 16\ndirect\n0.438096 0.500000 0.250000 Hg\n0.561904 0.000000 0.750000 Hg\n0.561904 0.500000 0.750000 Hg\n0.438096 0.000000 0.250000 Hg\n0.449619 0.750000 0.594172 H\n0.449619 0.250000 0.905828 H\n0.550381 0.250000 0.405828 H\n0.550381 0.750000 0.094172 H\n0.993807 0.750000 0.938182 Cl\n0.993807 0.250000 0.561818 Cl\n0.006193 0.250000 0.061818 Cl\n0.006193 0.750000 0.438182 Cl\n0.425467 0.750000 0.162821 O\n0.425467 0.250000 0.337179 O\n0.574533 0.250000 0.837179 O\n0.574533 0.750000 0.662821 O\n0.944967 0.414941 0.133053 O\n0.944967 0.585059 0.366947 O\n0.055033 0.914941 0.866947 O\n0.055033 0.085059 0.633053 O\n0.322684 0.750000 0.455261 O\n0.322684 0.250000 0.044739 O\n0.677316 0.250000 0.544739 O\n0.677316 0.750000 0.955261 O\n0.944967 0.914941 0.366947 O\n0.944967 0.085059 0.133053 O\n0.055033 0.414941 0.633053 O\n0.055033 0.585059 0.866947 O\n",
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{
"id": "mp-1147682",
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"structure_string": "Cs1 Nb1 C6\n1.0\n5.621152 0.000000 0.000000\n0.000000 5.621152 0.000000\n0.000000 0.000000 5.621152\nCs Nb C\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Nb\n0.612072 0.000000 0.000000 C\n0.387928 0.000000 0.000000 C\n0.000000 0.612072 0.000000 C\n0.000000 0.000000 0.612072 C\n0.000000 0.387928 0.000000 C\n0.000000 0.000000 0.387928 C\n",
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{
"id": "mp-1102758",
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"structure_string": "Lu4 Ga4 Ni4\n1.0\n4.250639 0.000000 0.000000\n0.000000 6.687062 0.000000\n0.000000 0.000000 7.164824\nLu Ga Ni\n4 4 4\ndirect\n0.250000 0.018100 0.802425 Lu\n0.250000 0.518100 0.697575 Lu\n0.750000 0.981900 0.197575 Lu\n0.750000 0.481900 0.302425 Lu\n0.250000 0.183404 0.419754 Ga\n0.250000 0.683404 0.080246 Ga\n0.750000 0.816596 0.580246 Ga\n0.750000 0.316596 0.919754 Ga\n0.250000 0.793232 0.409140 Ni\n0.250000 0.293232 0.090860 Ni\n0.750000 0.206768 0.590860 Ni\n0.750000 0.706768 0.909140 Ni\n",
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{
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"structure_string": "Pm3 Tl1\n1.0\n4.967923 0.000000 0.000000\n0.000000 4.967923 0.000000\n0.000000 0.000000 4.967923\nPm Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 Pm\n0.500000 0.000000 0.500000 Pm\n0.500000 0.500000 0.000000 Pm\n0.000000 0.000000 0.000000 Tl\n",
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{
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{
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"structure_string": "K1 Rb2 Bi1 F6\n1.0\n0.000000 4.814687 4.814687\n4.814687 0.000000 4.814687\n4.814687 4.814687 0.000000\nK Rb Bi F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.235682 0.764318 0.764318 F\n0.235682 0.764318 0.235682 F\n0.764318 0.235682 0.764318 F\n0.764318 0.235682 0.235682 F\n0.764318 0.764318 0.235682 F\n0.235682 0.235682 0.764318 F\n",
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{
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"structure_string": "Li4 Fe5 P6 W1 O24\n1.0\n8.492268 0.000000 0.000000\n3.846563 7.756670 0.000000\n3.862788 2.510484 7.356395\nLi Fe P W O\n4 5 6 1 24\ndirect\n0.744794 0.152568 0.353719 Li\n0.293767 0.840983 0.642199 Li\n0.635105 0.297382 0.847318 Li\n0.845798 0.643424 0.296732 Li\n0.017010 0.004656 0.004104 Fe\n0.351000 0.354433 0.349700 Fe\n0.488607 0.504408 0.497983 Fe\n0.148442 0.150999 0.149211 Fe\n0.652371 0.653231 0.654846 Fe\n0.056220 0.745802 0.443299 P\n0.441421 0.052507 0.745789 P\n0.746455 0.440248 0.053428 P\n0.249849 0.546709 0.950048 P\n0.556996 0.952382 0.251705 P\n0.939433 0.246113 0.544659 P\n0.853385 0.850193 0.855338 W\n0.468446 0.899934 0.683409 O\n0.679926 0.469374 0.902011 O\n0.904479 0.672008 0.476547 O\n0.054579 0.909640 0.264196 O\n0.011266 0.807737 0.605698 O\n0.248285 0.600783 0.430990 O\n0.251982 0.077845 0.893525 O\n0.460718 0.231400 0.586382 O\n0.167247 0.406420 0.989185 O\n0.602862 0.428883 0.245242 O\n0.103625 0.751468 0.912319 O\n0.401783 0.005339 0.181469 O\n0.599602 0.995876 0.826814 O\n0.896948 0.251700 0.077555 O\n0.404515 0.563308 0.758559 O\n0.811781 0.604936 0.005418 O\n0.565256 0.760904 0.406577 O\n0.758846 0.911066 0.102274 O\n0.749315 0.402078 0.571112 O\n0.950519 0.177856 0.405413 O\n0.916203 0.095397 0.746334 O\n0.106275 0.295363 0.504512 O\n0.309868 0.523552 0.101147 O\n0.555020 0.098097 0.306236 O\n",
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{
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},
{
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"elements": [
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{
"id": "mp-540496",
"created_at": "2022-09-04T14:44:12.868591Z",
"structure_string": "Cu4 P12 O36\n1.0\n8.422586 0.000000 0.000000\n0.000000 8.447494 0.000000\n0.000000 0.000000 9.015835\nCu P O\n4 12 36\ndirect\n0.653005 0.625841 0.614008 Cu\n0.846995 0.374159 0.114008 Cu\n0.346995 0.125841 0.885992 Cu\n0.153005 0.874159 0.385992 Cu\n0.801330 0.681125 0.918760 P\n0.022500 0.684437 0.667736 P\n0.188013 0.531119 0.193319 P\n0.311987 0.468881 0.693319 P\n0.477500 0.315563 0.167736 P\n0.698670 0.318875 0.418760 P\n0.198670 0.181125 0.581240 P\n0.977500 0.184437 0.832264 P\n0.811987 0.031119 0.306681 P\n0.688013 0.968881 0.806681 P\n0.522500 0.815563 0.332264 P\n0.301330 0.818875 0.081240 P\n0.960370 0.733402 0.830775 O\n0.614604 0.680266 0.398147 O\n0.222619 0.647116 0.052644 O\n0.886342 0.618403 0.578317 O\n0.843743 0.613423 0.068154 O\n0.149168 0.631706 0.327706 O\n0.420392 0.601703 0.647909 O\n0.693291 0.580877 0.823077 O\n0.140085 0.545117 0.718627 O\n0.359915 0.454883 0.218627 O\n0.806709 0.419123 0.323077 O\n0.079608 0.398297 0.147909 O\n0.350832 0.368294 0.827706 O\n0.656257 0.386577 0.568154 O\n0.613658 0.381597 0.078317 O\n0.277381 0.352884 0.552644 O\n0.885396 0.319734 0.898147 O\n0.539630 0.266598 0.330775 O\n0.039630 0.233402 0.669225 O\n0.385396 0.180266 0.101853 O\n0.777381 0.147116 0.447356 O\n0.113658 0.118403 0.921683 O\n0.156257 0.113423 0.431846 O\n0.850832 0.131706 0.172294 O\n0.579608 0.101703 0.852091 O\n0.306709 0.080877 0.676923 O\n0.859915 0.045117 0.781373 O\n0.640085 0.954883 0.281373 O\n0.193291 0.919123 0.176923 O\n0.920392 0.898297 0.352091 O\n0.649168 0.868294 0.672294 O\n0.343743 0.886577 0.931846 O\n0.386342 0.881597 0.421683 O\n0.722619 0.852884 0.947356 O\n0.114604 0.819734 0.601853 O\n0.460370 0.766598 0.169225 O\n",
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"formula_full": "Cu4 P12 O36",
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{
"id": "mp-1225736",
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}