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{
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{
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"structure_string": "Na2 As2 O12\n1.0\n0.000000 -4.603540 0.000000\n-6.237031 0.000000 -0.093254\n-1.137323 0.000000 -8.565383\nNa As O\n2 2 12\ndirect\n0.088294 0.734326 0.049460 Na\n0.588294 0.265674 0.950540 Na\n0.358166 0.865028 0.426723 As\n0.858166 0.134972 0.573277 As\n0.309690 0.948795 0.219483 O\n0.809690 0.051205 0.780517 O\n0.488472 0.108541 0.504024 O\n0.988472 0.891459 0.495976 O\n0.105319 0.296891 0.053825 O\n0.605319 0.703109 0.946175 O\n0.016529 0.121152 0.145329 O\n0.516529 0.878848 0.854671 O\n0.103150 0.508204 0.758411 O\n0.603150 0.491796 0.241589 O\n0.864380 0.493791 0.284325 O\n0.364380 0.506209 0.715675 O\n",
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"formula_full": "Na2 As2 O12",
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{
"id": "mp-2566",
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"structure_string": "Pu1 Sb1\n1.0\n0.000000 3.134345 3.134345\n3.134345 0.000000 3.134345\n3.134345 3.134345 0.000000\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
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{
"id": "mp-614489",
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"structure_string": "Gd1 In1 Cu2\n1.0\n0.000000 3.338077 3.338077\n3.338077 0.000000 3.338077\n3.338077 3.338077 0.000000\nGd In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n",
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"formula_full": "Gd1 In1 Cu2",
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{
"id": "mp-2861",
"created_at": "2022-09-04T14:47:57.865609Z",
"structure_string": "Ca1 Tl1\n1.0\n3.907759 0.000000 0.000000\n0.000000 3.907759 0.000000\n0.000000 0.000000 3.907759\nCa Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Tl\n",
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{
"id": "mp-561036",
"created_at": "2022-09-04T14:47:57.866433Z",
"structure_string": "Fe2 Te12 O26\n1.0\n7.131264 -5.190294 0.000000\n7.131264 5.190294 0.000000\n3.353651 0.000000 8.157641\nFe Te O\n2 12 26\ndirect\n0.743750 0.743750 0.743750 Fe\n0.256250 0.256250 0.256250 Fe\n0.666587 0.057266 0.989153 Te\n0.468666 0.176533 0.577610 Te\n0.176533 0.577610 0.468666 Te\n0.942734 0.010847 0.333413 Te\n0.422390 0.531334 0.823467 Te\n0.531334 0.823467 0.422390 Te\n0.823467 0.422390 0.531334 Te\n0.057266 0.989153 0.666587 Te\n0.333413 0.942734 0.010847 Te\n0.010847 0.333413 0.942734 Te\n0.989153 0.666587 0.057266 Te\n0.577610 0.468666 0.176533 Te\n0.387323 0.701150 0.625260 O\n0.911649 0.911649 0.911649 O\n0.899218 0.919871 0.600800 O\n0.374740 0.612677 0.298850 O\n0.636164 0.885422 0.543584 O\n0.200550 0.697419 0.943890 O\n0.399200 0.100782 0.080129 O\n0.088351 0.088351 0.088351 O\n0.302581 0.056110 0.799450 O\n0.456416 0.363836 0.114578 O\n0.612677 0.298850 0.374740 O\n0.363836 0.114578 0.456416 O\n0.885422 0.543584 0.636164 O\n0.943890 0.200550 0.697419 O\n0.600800 0.899218 0.919871 O\n0.919871 0.600800 0.899218 O\n0.100782 0.080129 0.399200 O\n0.697419 0.943890 0.200550 O\n0.701150 0.625260 0.387323 O\n0.056110 0.799450 0.302581 O\n0.080129 0.399200 0.100782 O\n0.543584 0.636164 0.885422 O\n0.625260 0.387323 0.701150 O\n0.298850 0.374740 0.612677 O\n0.799450 0.302581 0.056110 O\n0.114578 0.456416 0.363836 O\n",
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{
"id": "mp-14389",
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"structure_string": "Na12 Al4 P32 O92\n1.0\n12.091007 0.000000 0.000000\n0.000000 12.091007 0.000000\n0.000000 0.000000 12.091007\nNa Al P O\n12 4 32 92\ndirect\n0.375000 0.956076 0.793924 Na\n0.293924 0.125000 0.043924 Na\n0.456076 0.706076 0.625000 Na\n0.543924 0.206076 0.875000 Na\n0.875000 0.543924 0.206076 Na\n0.125000 0.043924 0.293924 Na\n0.625000 0.456076 0.706076 Na\n0.956076 0.793924 0.375000 Na\n0.043924 0.293924 0.125000 Na\n0.706076 0.625000 0.456076 Na\n0.793924 0.375000 0.956076 Na\n0.206076 0.875000 0.543924 Na\n0.125000 0.625000 0.875000 Al\n0.375000 0.375000 0.375000 Al\n0.875000 0.125000 0.625000 Al\n0.625000 0.875000 0.125000 Al\n0.635374 0.354492 0.430844 P\n0.645508 0.930844 0.864626 P\n0.430844 0.635374 0.354492 P\n0.930844 0.864626 0.645508 P\n0.854492 0.069156 0.364626 P\n0.069156 0.364626 0.854492 P\n0.354492 0.430844 0.635374 P\n0.145508 0.569156 0.135374 P\n0.569156 0.135374 0.145508 P\n0.395508 0.114626 0.319156 P\n0.104492 0.885374 0.819156 P\n0.680844 0.895508 0.385374 P\n0.319156 0.395508 0.114626 P\n0.885374 0.819156 0.104492 P\n0.385374 0.680844 0.895508 P\n0.135374 0.145508 0.569156 P\n0.864626 0.645508 0.930844 P\n0.364626 0.854492 0.069156 P\n0.895508 0.385374 0.680844 P\n0.604492 0.614626 0.180844 P\n0.819156 0.104492 0.885374 P\n0.180844 0.604492 0.614626 P\n0.114626 0.319156 0.395508 P\n0.614626 0.180844 0.604492 P\n0.017749 0.017749 0.017749 P\n0.267749 0.232251 0.767749 P\n0.767749 0.267749 0.232251 P\n0.232251 0.767749 0.267749 P\n0.482251 0.982251 0.517749 P\n0.517749 0.482251 0.982251 P\n0.982251 0.517749 0.482251 P\n0.732251 0.732251 0.732251 P\n0.661467 0.661467 0.661467 O\n0.911467 0.588533 0.411467 O\n0.588533 0.411467 0.911467 O\n0.411467 0.911467 0.588533 O\n0.161467 0.838533 0.338533 O\n0.838533 0.338533 0.161467 O\n0.338533 0.161467 0.838533 O\n0.088533 0.088533 0.088533 O\n0.437388 0.511078 0.677488 O\n0.937388 0.988922 0.322512 O\n0.511078 0.677488 0.437388 O\n0.488922 0.177488 0.062612 O\n0.677488 0.437388 0.511078 O\n0.822512 0.562612 0.011078 O\n0.187388 0.927488 0.738922 O\n0.687388 0.572512 0.261078 O\n0.812612 0.427488 0.761078 O\n0.572512 0.261078 0.687388 O\n0.761078 0.812612 0.427488 O\n0.261078 0.687388 0.572512 O\n0.927488 0.738922 0.187388 O\n0.738922 0.187388 0.927488 O\n0.427488 0.761078 0.812612 O\n0.072512 0.238922 0.312612 O\n0.238922 0.312612 0.072512 O\n0.322512 0.937388 0.988922 O\n0.177488 0.062612 0.488922 O\n0.011078 0.822512 0.562612 O\n0.988922 0.322512 0.937388 O\n0.062612 0.488922 0.177488 O\n0.562612 0.011078 0.822512 O\n0.312612 0.072512 0.238922 O\n0.375000 0.732420 0.017580 O\n0.517580 0.125000 0.267580 O\n0.734343 0.329781 0.341884 O\n0.232420 0.482420 0.625000 O\n0.982420 0.875000 0.767580 O\n0.017580 0.375000 0.732420 O\n0.482420 0.625000 0.232420 O\n0.267580 0.517580 0.125000 O\n0.732420 0.017580 0.375000 O\n0.625000 0.232420 0.482420 O\n0.125000 0.267580 0.517580 O\n0.875000 0.767580 0.982420 O\n0.329781 0.341884 0.734343 O\n0.829781 0.158116 0.265657 O\n0.341884 0.734343 0.329781 O\n0.658116 0.234343 0.170219 O\n0.031859 0.122460 0.633455 O\n0.281859 0.616545 0.872460 O\n0.781859 0.883455 0.127540 O\n0.383455 0.372460 0.218141 O\n0.616545 0.872460 0.281859 O\n0.127540 0.781859 0.883455 O\n0.372460 0.218141 0.383455 O\n0.633455 0.031859 0.122460 O\n0.122460 0.633455 0.031859 O\n0.377540 0.366545 0.531859 O\n0.133455 0.468141 0.877540 O\n0.877540 0.133455 0.468141 O\n0.866545 0.968141 0.622460 O\n0.366545 0.531859 0.377540 O\n0.622460 0.866545 0.968141 O\n0.531859 0.377540 0.366545 O\n0.968141 0.622460 0.866545 O\n0.468141 0.877540 0.133455 O\n0.872460 0.281859 0.616545 O\n0.627540 0.718141 0.116545 O\n0.883455 0.127540 0.781859 O\n0.116545 0.627540 0.718141 O\n0.218141 0.383455 0.372460 O\n0.718141 0.116545 0.627540 O\n0.420219 0.015657 0.408116 O\n0.670219 0.841884 0.765657 O\n0.170219 0.658116 0.234343 O\n0.158116 0.265657 0.829781 O\n0.841884 0.765657 0.670219 O\n0.234343 0.170219 0.658116 O\n0.265657 0.829781 0.158116 O\n0.408116 0.420219 0.015657 O\n0.015657 0.408116 0.420219 O\n0.484343 0.591884 0.920219 O\n0.908116 0.079781 0.984343 O\n0.984343 0.908116 0.079781 O\n0.091884 0.579781 0.515657 O\n0.591884 0.920219 0.484343 O\n0.515657 0.091884 0.579781 O\n0.920219 0.484343 0.591884 O\n0.579781 0.515657 0.091884 O\n0.079781 0.984343 0.908116 O\n0.765657 0.670219 0.841884 O\n0.767580 0.982420 0.875000 O\n",
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{
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{
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{
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"created_at": "2022-09-04T14:47:57.840937Z",
"structure_string": "Sn7 S2 Br10\n1.0\n6.705640 0.000000 0.000000\n1.415824 11.158365 0.000000\n0.852086 5.386601 10.034275\nSn S Br\n7 2 10\ndirect\n0.703987 0.220232 0.548959 Sn\n0.673572 0.541560 0.181164 Sn\n0.870361 0.987106 0.976366 Sn\n0.915752 0.133730 0.293884 Sn\n0.423439 0.879447 0.727678 Sn\n0.361430 0.403545 0.893986 Sn\n0.465539 0.725995 0.379377 Sn\n0.630274 0.027531 0.778333 S\n0.688108 0.770791 0.171445 S\n0.174254 0.234340 0.853741 Br\n0.296686 0.544853 0.319014 Br\n0.121550 0.141960 0.546732 Br\n0.163497 0.797654 0.954116 Br\n0.152305 0.382482 0.118669 Br\n0.172766 0.963080 0.225225 Br\n0.669700 0.632333 0.907363 Br\n0.653897 0.208466 0.067840 Br\n0.701598 0.911368 0.469061 Br\n0.699390 0.417432 0.619643 Br\n",
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"elements": [
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"formula_full": "Sn7 S2 Br10",
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},
{
"id": "mp-1045889",
"created_at": "2022-09-04T14:47:57.863811Z",
"structure_string": "Mg2 Cr9 O13\n1.0\n1.496251 5.099255 0.000000\n-1.496251 5.099255 0.000000\n0.000000 2.358429 16.822249\nMg Cr O\n2 9 13\ndirect\n0.781057 0.781057 0.230731 Mg\n0.218943 0.218943 0.769269 Mg\n0.500000 0.500000 0.500000 Cr\n0.356017 0.356017 0.042554 Cr\n0.643983 0.643983 0.957446 Cr\n0.248955 0.248955 0.415580 Cr\n0.751045 0.751045 0.584420 Cr\n0.067872 0.067872 0.123188 Cr\n0.932128 0.932128 0.876812 Cr\n0.003318 0.003318 0.328937 Cr\n0.996682 0.996682 0.671063 Cr\n0.000000 0.000000 0.000000 O\n0.147082 0.147082 0.221112 O\n0.852918 0.852918 0.778888 O\n0.697460 0.697460 0.072699 O\n0.302540 0.302540 0.927301 O\n0.430359 0.430359 0.146485 O\n0.569641 0.569641 0.853515 O\n0.367300 0.367300 0.309238 O\n0.632700 0.632700 0.690762 O\n0.601854 0.601854 0.385670 O\n0.398146 0.398146 0.614330 O\n0.876861 0.876861 0.474226 O\n0.123139 0.123139 0.525774 O\n",
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],
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{
"id": "mp-1196399",
"created_at": "2022-09-04T14:47:57.888777Z",
"structure_string": "Hg4 C16 N4 Cl12\n1.0\n15.505272 0.000000 0.000000\n0.000000 7.922669 0.000000\n0.000000 1.735069 9.260775\nHg C N Cl\n4 16 4 12\ndirect\n0.458685 0.071952 0.727715 Hg\n0.958685 0.928048 0.272285 Hg\n0.402270 0.616359 0.691966 Hg\n0.902270 0.383641 0.308034 Hg\n0.628614 0.464394 0.229726 C\n0.128614 0.535606 0.770274 C\n0.645489 0.558071 0.465439 C\n0.145489 0.441929 0.534561 C\n0.627308 0.448507 0.096291 C\n0.127308 0.551493 0.903709 C\n0.622976 0.420578 0.968877 C\n0.122976 0.579422 0.031123 C\n0.350578 0.018852 0.535111 C\n0.850578 0.981148 0.464889 C\n0.299097 0.054771 0.283127 C\n0.799097 0.945229 0.716873 C\n0.208092 0.075504 0.055436 C\n0.708092 0.924496 0.944564 C\n0.251282 0.063486 0.169896 C\n0.751282 0.936514 0.830104 C\n0.637628 0.515407 0.348752 N\n0.137628 0.484593 0.651248 N\n0.325158 0.038101 0.411788 N\n0.825158 0.961899 0.588212 N\n0.567589 0.932504 0.619007 Cl\n0.067589 0.067496 0.380993 Cl\n0.644193 0.943547 0.073892 Cl\n0.144193 0.056453 0.926108 Cl\n0.386900 0.242030 0.870576 Cl\n0.886900 0.757970 0.129424 Cl\n0.631789 0.428330 0.797810 Cl\n0.131789 0.571670 0.202190 Cl\n0.390844 0.538458 0.468803 Cl\n0.890844 0.461542 0.531197 Cl\n0.406707 0.711015 0.911391 Cl\n0.906707 0.288985 0.088609 Cl\n",
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}
]
}