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{
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{
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{
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"structure_string": "Na4 Gd4 Si4 O16\n1.0\n-5.907785 5.907785 2.694589\n5.907785 -5.907785 2.694589\n5.907785 5.907785 -2.694589\nNa Gd Si O\n4 4 4 16\ndirect\n0.392979 0.086609 0.479588 Na\n0.086609 0.607021 0.693630 Na\n0.913391 0.392979 0.306370 Na\n0.607021 0.913391 0.520412 Na\n0.879109 0.809075 0.688184 Gd\n0.809075 0.120890 0.929965 Gd\n0.190926 0.879109 0.070035 Gd\n0.120891 0.190925 0.311816 Gd\n0.262176 0.401668 0.663843 Si\n0.401668 0.737824 0.139492 Si\n0.598333 0.262176 0.860508 Si\n0.737824 0.598333 0.336157 Si\n0.435762 0.283322 0.232869 O\n0.283322 0.050453 0.847560 O\n0.202893 0.435762 0.152440 O\n0.050453 0.202893 0.767131 O\n0.564238 0.716678 0.767131 O\n0.716678 0.949547 0.152440 O\n0.797107 0.564238 0.847560 O\n0.949547 0.797107 0.232869 O\n0.304931 0.267825 0.572755 O\n0.267825 0.695069 0.962894 O\n0.732175 0.304931 0.037106 O\n0.695070 0.732175 0.427245 O\n0.121189 0.396348 0.517536 O\n0.396348 0.878811 0.275159 O\n0.603652 0.121188 0.724841 O\n0.878811 0.603652 0.482464 O\n",
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{
"id": "mp-1019539",
"created_at": "2022-09-04T14:45:17.658228Z",
"structure_string": "Ba4 B8 S12 O52\n1.0\n4.498162 0.000000 0.000000\n0.000000 12.657665 0.000000\n0.000000 0.000000 17.553785\nBa B S O\n4 8 12 52\ndirect\n0.972442 0.250000 0.781496 Ba\n0.527558 0.250000 0.281496 Ba\n0.027558 0.750000 0.218504 Ba\n0.472442 0.750000 0.718504 Ba\n0.562671 0.150569 0.079427 B\n0.937329 0.349431 0.579427 B\n0.437329 0.650569 0.920573 B\n0.062671 0.849431 0.420573 B\n0.437329 0.849431 0.920573 B\n0.062671 0.650569 0.420573 B\n0.562671 0.349431 0.079427 B\n0.937329 0.150569 0.579427 B\n0.442944 0.063666 0.647262 S\n0.057056 0.436334 0.147262 S\n0.557056 0.563666 0.352738 S\n0.942944 0.936334 0.852738 S\n0.557056 0.936334 0.352738 S\n0.942944 0.563666 0.852738 S\n0.442944 0.436334 0.647262 S\n0.057056 0.063666 0.147262 S\n0.366716 0.250000 0.953815 S\n0.133284 0.250000 0.453815 S\n0.633284 0.750000 0.046185 S\n0.866716 0.750000 0.546185 S\n0.963816 0.250000 0.616316 O\n0.536184 0.250000 0.116316 O\n0.036184 0.750000 0.383684 O\n0.463816 0.750000 0.883684 O\n0.485973 0.152897 0.996942 O\n0.014027 0.347103 0.496942 O\n0.514027 0.652897 0.003058 O\n0.985973 0.847103 0.503058 O\n0.514027 0.847103 0.003058 O\n0.985973 0.652897 0.503058 O\n0.485973 0.347103 0.996942 O\n0.014027 0.152897 0.496942 O\n0.474469 0.134763 0.712439 O\n0.025531 0.365237 0.212439 O\n0.525531 0.634763 0.287561 O\n0.974469 0.865237 0.787561 O\n0.525531 0.865237 0.287561 O\n0.974469 0.634763 0.787561 O\n0.474469 0.365237 0.712439 O\n0.025531 0.134763 0.212439 O\n0.494623 0.250000 0.877426 O\n0.005377 0.250000 0.377426 O\n0.505377 0.750000 0.122574 O\n0.994623 0.750000 0.622574 O\n0.047036 0.250000 0.951898 O\n0.452964 0.250000 0.451898 O\n0.952964 0.750000 0.048102 O\n0.547036 0.750000 0.548102 O\n0.510525 0.954407 0.662460 O\n0.989475 0.545593 0.162460 O\n0.489475 0.454407 0.337540 O\n0.010525 0.045593 0.837540 O\n0.489475 0.045593 0.337540 O\n0.010525 0.454407 0.837540 O\n0.510525 0.545593 0.662460 O\n0.989475 0.954407 0.162460 O\n0.120553 0.066510 0.618111 O\n0.379447 0.433490 0.118111 O\n0.879447 0.566510 0.381889 O\n0.620553 0.933490 0.881889 O\n0.879447 0.933490 0.381889 O\n0.620553 0.566510 0.881889 O\n0.120553 0.433490 0.618111 O\n0.379447 0.066510 0.118111 O\n0.624340 0.105108 0.579403 O\n0.875660 0.394892 0.079403 O\n0.375660 0.605108 0.420597 O\n0.124340 0.894892 0.920597 O\n0.375660 0.894892 0.420597 O\n0.124340 0.605108 0.920597 O\n0.624340 0.394892 0.579403 O\n0.875660 0.105108 0.079403 O\n",
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"formula_full": "Ba4 B8 S12 O52",
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{
"id": "mp-753410",
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"structure_string": "Li2 Fe6 O2 F10\n1.0\n3.531305 4.778948 0.000000\n-3.531305 4.778948 0.000000\n0.000000 2.956285 7.005921\nLi Fe O F\n2 6 2 10\ndirect\n0.115571 0.636395 0.876524 Li\n0.636395 0.115571 0.876524 Li\n0.326336 0.326336 0.176684 Fe\n0.000720 0.000720 0.512833 Fe\n0.663342 0.663342 0.335823 Fe\n0.648135 0.648135 0.827382 Fe\n0.288302 0.288302 0.662432 Fe\n0.042881 0.042881 0.013313 Fe\n0.064611 0.064611 0.731834 O\n0.268995 0.268995 0.953705 O\n0.704637 0.299980 0.010992 F\n0.299980 0.704637 0.010992 F\n0.762021 0.762021 0.021073 F\n0.427723 0.427723 0.368424 F\n0.376571 0.952657 0.336951 F\n0.952657 0.376571 0.336951 F\n0.902829 0.902829 0.308271 F\n0.012870 0.621751 0.670654 F\n0.621751 0.012870 0.670654 F\n0.548542 0.548542 0.638125 F\n",
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{
"id": "mp-1388665",
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"structure_string": "Mg2 Sb4 O8\n1.0\n1.644603 6.652445 0.000000\n-1.644603 6.652445 0.000000\n0.000000 3.634660 9.789229\nMg Sb O\n2 4 8\ndirect\n0.257302 0.257302 0.746930 Mg\n0.742698 0.742698 0.253070 Mg\n0.619264 0.619264 0.603370 Sb\n0.118705 0.118705 0.088807 Sb\n0.881295 0.881295 0.911193 Sb\n0.380736 0.380736 0.396630 Sb\n0.898853 0.898853 0.265862 O\n0.405974 0.405974 0.777341 O\n0.594026 0.594026 0.222659 O\n0.101147 0.101147 0.734138 O\n0.230467 0.230467 0.393431 O\n0.735565 0.735565 0.893764 O\n0.769533 0.769533 0.606569 O\n0.264435 0.264435 0.106236 O\n",
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{
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"structure_string": "Li2 I2 O6\n1.0\n2.615423 -4.530045 0.000000\n2.615423 4.530045 0.000000\n0.000000 0.000000 4.811755\nLi I O\n2 2 6\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.666667 0.333333 0.750000 I\n0.333333 0.666667 0.250000 I\n0.000000 0.329809 0.000000 O\n0.329809 0.000000 0.000000 O\n0.000000 0.670191 0.500000 O\n0.670191 0.670191 0.000000 O\n0.670191 0.000000 0.500000 O\n0.329809 0.329809 0.500000 O\n",
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{
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{
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"structure_string": "Mg12 Cr2 Ni2\n1.0\n4.841438 0.000000 0.000000\n0.000000 6.039951 0.000000\n0.000000 0.000000 10.461640\nMg Cr Ni\n12 2 2\ndirect\n0.000000 0.741850 0.087893 Mg\n0.000000 0.258150 0.087893 Mg\n0.000000 0.000000 0.333407 Mg\n0.500000 0.263687 0.411653 Mg\n0.500000 0.736313 0.411653 Mg\n0.500000 0.000000 0.165509 Mg\n0.000000 0.241850 0.587893 Mg\n0.000000 0.758150 0.587893 Mg\n0.000000 0.500000 0.833407 Mg\n0.500000 0.763687 0.911653 Mg\n0.500000 0.236313 0.911653 Mg\n0.500000 0.500000 0.665509 Mg\n0.500000 0.500000 0.172398 Cr\n0.500000 0.000000 0.672398 Cr\n0.000000 0.500000 0.329593 Ni\n0.000000 0.000000 0.829593 Ni\n",
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