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{
"id": "mp-738389",
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"structure_string": "Rb16 Li4 S16 O64\n1.0\n7.815059 0.000000 0.000000\n0.000000 7.815059 0.000000\n0.000000 0.000000 30.245802\nRb Li S O\n16 4 16 64\ndirect\n0.881862 0.940797 0.464775 Rb\n0.118138 0.059203 0.964775 Rb\n0.940797 0.118138 0.214775 Rb\n0.059203 0.881862 0.714775 Rb\n0.390613 0.630420 0.454742 Rb\n0.609387 0.369580 0.954742 Rb\n0.630420 0.609387 0.204742 Rb\n0.369580 0.390613 0.704742 Rb\n0.982362 0.465906 0.833997 Rb\n0.017638 0.534094 0.333997 Rb\n0.465906 0.017638 0.583997 Rb\n0.534094 0.982362 0.083997 Rb\n0.476361 0.778079 0.826355 Rb\n0.523639 0.221921 0.326355 Rb\n0.778079 0.523639 0.576355 Rb\n0.221921 0.476361 0.076355 Rb\n0.870395 0.719618 0.020058 Li\n0.129605 0.280382 0.520058 Li\n0.719618 0.129605 0.770058 Li\n0.280382 0.870395 0.270058 Li\n0.127847 0.541282 0.953815 S\n0.872153 0.458718 0.453815 S\n0.541282 0.872153 0.703815 S\n0.458718 0.127847 0.203815 S\n0.120897 0.595092 0.206812 S\n0.879103 0.404908 0.706812 S\n0.595092 0.879103 0.956812 S\n0.404908 0.120897 0.456812 S\n0.992574 0.962457 0.835566 S\n0.007426 0.037543 0.335566 S\n0.962457 0.007426 0.585566 S\n0.037543 0.992574 0.085566 S\n0.700518 0.457972 0.083770 S\n0.299482 0.542028 0.583770 S\n0.457972 0.299482 0.833770 S\n0.542028 0.700518 0.333770 S\n0.251394 0.426395 0.975919 O\n0.748606 0.573605 0.475919 O\n0.426395 0.748606 0.725919 O\n0.573605 0.251394 0.225919 O\n0.203456 0.616924 0.912590 O\n0.796544 0.383076 0.412590 O\n0.616924 0.796544 0.662590 O\n0.383076 0.203456 0.162590 O\n0.073606 0.678812 0.984557 O\n0.926394 0.321188 0.484557 O\n0.678812 0.926394 0.734557 O\n0.321188 0.073606 0.234557 O\n0.977587 0.440503 0.937269 O\n0.022413 0.559497 0.437269 O\n0.440503 0.022413 0.687269 O\n0.559497 0.977587 0.187269 O\n0.254735 0.658134 0.237701 O\n0.745265 0.341866 0.737701 O\n0.658134 0.745265 0.987701 O\n0.341866 0.254735 0.487701 O\n0.020423 0.739670 0.187140 O\n0.979577 0.260330 0.687140 O\n0.739670 0.979577 0.937140 O\n0.260330 0.020423 0.437140 O\n0.996639 0.485578 0.231017 O\n0.003361 0.514422 0.731017 O\n0.485578 0.003361 0.981017 O\n0.514422 0.996639 0.481017 O\n0.202539 0.501388 0.169633 O\n0.797461 0.498612 0.669633 O\n0.501388 0.797461 0.919633 O\n0.498612 0.202539 0.419633 O\n0.109044 0.835351 0.814614 O\n0.890956 0.164649 0.314614 O\n0.835351 0.890956 0.564614 O\n0.164649 0.109044 0.064614 O\n0.847259 0.864194 0.855594 O\n0.152741 0.135806 0.355594 O\n0.864194 0.152741 0.605594 O\n0.135806 0.847259 0.105594 O\n0.078922 0.056395 0.871984 O\n0.921078 0.943605 0.371984 O\n0.056395 0.921078 0.621984 O\n0.943605 0.078922 0.121984 O\n0.931562 0.086111 0.801697 O\n0.068438 0.913889 0.301697 O\n0.086111 0.068438 0.551697 O\n0.913889 0.931562 0.051697 O\n0.597549 0.607674 0.099888 O\n0.402451 0.392326 0.599888 O\n0.607674 0.402451 0.849888 O\n0.392326 0.597549 0.349888 O\n0.844646 0.514205 0.055368 O\n0.155354 0.485795 0.555368 O\n0.514205 0.155354 0.805368 O\n0.485795 0.844646 0.305368 O\n0.767493 0.379521 0.125704 O\n0.232507 0.620479 0.625704 O\n0.379521 0.232507 0.875704 O\n0.620479 0.767493 0.375704 O\n0.589516 0.337054 0.059556 O\n0.410484 0.662946 0.559556 O\n0.337054 0.410484 0.809556 O\n0.662946 0.589516 0.309556 O\n",
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{
"id": "mp-684109",
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"structure_string": "Li4 Bi4 P8 O28\n1.0\n4.493612 5.082231 0.000000\n-4.493612 5.082231 0.000000\n0.000000 4.672597 13.141672\nLi Bi P O\n4 4 8 28\ndirect\n0.995279 0.770663 0.624620 Li\n0.770663 0.995279 0.124620 Li\n0.229337 0.004721 0.875380 Li\n0.004721 0.229337 0.375380 Li\n0.861187 0.395052 0.859312 Bi\n0.138813 0.604948 0.140688 Bi\n0.395052 0.861187 0.359312 Bi\n0.604948 0.138813 0.640688 Bi\n0.415171 0.321332 0.427974 P\n0.321332 0.415171 0.927974 P\n0.584829 0.678668 0.572026 P\n0.110692 0.252297 0.628887 P\n0.678668 0.584829 0.072026 P\n0.252297 0.110692 0.128887 P\n0.889308 0.747703 0.371113 P\n0.747703 0.889308 0.871113 P\n0.194631 0.299094 0.885593 O\n0.123191 0.976464 0.097255 O\n0.989975 0.423483 0.677845 O\n0.202448 0.599478 0.967011 O\n0.010025 0.576517 0.322155 O\n0.113862 0.251117 0.193563 O\n0.400522 0.797552 0.532989 O\n0.797552 0.400522 0.032989 O\n0.470988 0.524115 0.356223 O\n0.748883 0.886138 0.306437 O\n0.299094 0.194631 0.385593 O\n0.976464 0.123191 0.597255 O\n0.700906 0.805369 0.614407 O\n0.876809 0.023536 0.902745 O\n0.524115 0.470988 0.856223 O\n0.529012 0.475885 0.643777 O\n0.380797 0.251758 0.026245 O\n0.251758 0.380797 0.526245 O\n0.023536 0.876809 0.402745 O\n0.423483 0.989975 0.177845 O\n0.251117 0.113862 0.693563 O\n0.748242 0.619203 0.473755 O\n0.805369 0.700906 0.114407 O\n0.619203 0.748242 0.973755 O\n0.599478 0.202448 0.467011 O\n0.576517 0.010025 0.822155 O\n0.475885 0.529012 0.143777 O\n0.886138 0.748883 0.806437 O\n",
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"formula_full": "Li4 Bi4 P8 O28",
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"spacegroup": 15
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{
"id": "mp-1521577",
"created_at": "2022-09-04T14:47:10.011895Z",
"structure_string": "K1 Ca1 Ti1 Bi1 O6\n1.0\n0.000000 -4.066389 -4.066389\n4.066389 0.000000 -4.066389\n4.066389 -4.066389 -0.000000\nK Ca Ti Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ti\n-0.000000 -0.000000 -0.000000 Bi\n0.741291 0.258709 0.258709 O\n0.258709 0.741291 0.741291 O\n0.741291 0.258709 0.741291 O\n0.258709 0.741291 0.258709 O\n0.741291 0.741291 0.258709 O\n0.258709 0.258709 0.741291 O\n",
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"formula_full": "K1 Ca1 Ti1 Bi1 O6",
"formula_reduced": "KCaTiBiO6",
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{
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{
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{
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{
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{
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