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{
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{
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"structure_string": "K1 Ca1 Hf1 Bi1 O6\n1.0\n0.000000 -4.163269 -4.163269\n4.163269 0.000000 -4.163269\n4.163269 -4.163269 0.000000\nK Ca Hf Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Bi\n0.747382 0.252618 0.252618 O\n0.252618 0.747382 0.747382 O\n0.747382 0.252618 0.747382 O\n0.252618 0.747382 0.252618 O\n0.747382 0.747382 0.252618 O\n0.252618 0.252618 0.747382 O\n",
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{
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"structure_string": "Ta4 Fe4 O16\n1.0\n0.000038 -0.000038 -6.155590\n-4.799205 4.799206 -3.077736\n4.666250 4.666251 0.000000\nTa Fe O\n4 4 16\ndirect\n0.749992 0.500015 0.500000 Ta\n0.500008 0.999984 0.000000 Ta\n0.249992 0.500015 0.500000 Ta\n0.000008 0.999984 0.000000 Ta\n0.249988 0.000027 0.500004 Fe\n0.000013 0.499974 0.999999 Fe\n0.500015 0.499974 0.999999 Fe\n0.749984 0.000025 0.500000 Fe\n0.345791 0.808416 0.000000 O\n0.095798 0.308402 0.500000 O\n0.845791 0.808418 0.000000 O\n0.595798 0.308401 0.500000 O\n0.654201 0.191599 0.000000 O\n0.404210 0.691582 0.500000 O\n0.154202 0.191598 0.000000 O\n0.904209 0.691584 0.500000 O\n0.750000 0.499999 0.800652 O\n0.500000 0.000001 0.300652 O\n0.250002 0.499998 0.800652 O\n0.999998 0.000002 0.300652 O\n0.750000 0.499999 0.199348 O\n0.500000 0.000001 0.699348 O\n0.250002 0.499999 0.199348 O\n0.999998 0.000001 0.699348 O\n",
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"formula_full": "Ta4 Fe4 O16",
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{
"id": "mp-1112353",
"created_at": "2022-09-04T14:39:06.974235Z",
"structure_string": "Cs3 Sb1 Cl6\n1.0\n0.000000 5.938787 5.938787\n5.938787 0.000000 5.938787\n5.938787 5.938787 0.000000\nCs Sb Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Sb\n0.775409 0.224591 0.224591 Cl\n0.224591 0.224591 0.775409 Cl\n0.224591 0.775409 0.775409 Cl\n0.224591 0.775409 0.224591 Cl\n0.775409 0.224591 0.775409 Cl\n0.775409 0.775409 0.224591 Cl\n",
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"formula_full": "Cs3 Sb1 Cl6",
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{
"id": "mp-755022",
"created_at": "2022-09-04T14:39:35.971570Z",
"structure_string": "Li4 Co2 O2 F6\n1.0\n4.609739 2.723536 -0.022353\n-4.609733 2.723526 0.022358\n-0.298702 0.000006 6.024537\nLi Co O F\n4 2 2 6\ndirect\n0.276467 0.688131 0.683267 Li\n0.311869 0.723533 0.183268 Li\n0.664034 0.359709 0.837954 Li\n0.640293 0.335964 0.337956 Li\n0.912940 0.951616 0.026360 Co\n0.048385 0.087055 0.526361 Co\n0.973189 0.183637 0.794655 O\n0.816361 0.026812 0.294654 O\n0.498730 0.698207 0.937076 F\n0.301793 0.501270 0.437074 F\n0.419555 0.099621 0.598941 F\n0.900379 0.580461 0.098943 F\n0.901424 0.665412 0.621741 F\n0.334583 0.098574 0.121748 F\n",
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"elements": [
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"volume": 151.23684553304312,
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"formula_full": "Li4 Co2 O2 F6",
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{
"id": "mp-1518127",
"created_at": "2022-09-04T14:39:06.988404Z",
"structure_string": "Na1 Ca1 In1 W1 O6\n1.0\n0.000000 -4.054147 -4.054147\n4.054147 -0.000000 -4.054147\n4.054147 -4.054147 0.000000\nNa Ca In W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 W\n0.738939 0.261061 0.261061 O\n0.261061 0.738939 0.738939 O\n0.738939 0.261061 0.738939 O\n0.261061 0.738939 0.261061 O\n0.738939 0.738939 0.261061 O\n0.261061 0.261061 0.738939 O\n",
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],
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"density": 5.7032521638379325,
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"formula_full": "Na1 Ca1 In1 W1 O6",
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{
"id": "mp-14704",
"created_at": "2022-09-04T14:39:07.030689Z",
"structure_string": "Li24 Y4 B12 O36\n1.0\n16.541860 0.000000 0.000000\n0.000000 6.724091 0.000000\n0.000000 1.931438 7.006309\nLi Y B O\n24 4 12 36\ndirect\n0.552789 0.584732 0.862425 Li\n0.052789 0.915268 0.137575 Li\n0.447211 0.415268 0.137575 Li\n0.947211 0.084732 0.862425 Li\n0.795276 0.545623 0.438379 Li\n0.295276 0.954377 0.561621 Li\n0.204724 0.454377 0.561621 Li\n0.704724 0.045623 0.438379 Li\n0.964725 0.555717 0.306643 Li\n0.464725 0.944283 0.693357 Li\n0.035275 0.444283 0.693357 Li\n0.535275 0.055717 0.306643 Li\n0.705762 0.634507 0.715081 Li\n0.205762 0.865493 0.284919 Li\n0.294238 0.365493 0.284919 Li\n0.794238 0.134507 0.715081 Li\n0.969891 0.829778 0.546701 Li\n0.469891 0.670222 0.453299 Li\n0.030109 0.170222 0.453299 Li\n0.530109 0.329778 0.546701 Li\n0.004054 0.323992 0.071388 Li\n0.504054 0.176008 0.928612 Li\n0.995946 0.676008 0.928612 Li\n0.495946 0.823992 0.071388 Li\n0.810199 0.347216 0.079743 Y\n0.310199 0.152784 0.920257 Y\n0.189801 0.652784 0.920257 Y\n0.689801 0.847216 0.079743 Y\n0.635608 0.338275 0.083545 B\n0.135608 0.161725 0.916455 B\n0.364392 0.661725 0.916455 B\n0.864392 0.838275 0.083545 B\n0.620774 0.999329 0.714035 B\n0.120774 0.500671 0.285965 B\n0.379226 0.000671 0.285965 B\n0.879226 0.499329 0.714035 B\n0.884816 0.189383 0.439278 B\n0.384816 0.310617 0.560722 B\n0.115184 0.810617 0.560722 B\n0.615184 0.689383 0.439278 B\n0.826120 0.027737 0.007489 O\n0.326120 0.472263 0.992511 O\n0.173880 0.972263 0.992511 O\n0.673880 0.527737 0.007489 O\n0.685394 0.166262 0.145771 O\n0.185394 0.333738 0.854229 O\n0.314606 0.833738 0.854229 O\n0.814606 0.666262 0.145771 O\n0.553350 0.323776 0.087596 O\n0.053350 0.176224 0.912404 O\n0.446650 0.676224 0.912404 O\n0.946650 0.823776 0.087596 O\n0.574046 0.958254 0.879774 O\n0.074046 0.541746 0.120226 O\n0.425954 0.041746 0.120226 O\n0.925954 0.458254 0.879774 O\n0.797820 0.442367 0.740074 O\n0.297820 0.057633 0.259926 O\n0.202180 0.557633 0.259926 O\n0.702180 0.942367 0.740074 O\n0.588427 0.086308 0.537420 O\n0.088427 0.413692 0.462580 O\n0.411573 0.913692 0.462580 O\n0.911573 0.586308 0.537420 O\n0.568672 0.771244 0.276429 O\n0.068672 0.728756 0.723571 O\n0.431328 0.228756 0.723571 O\n0.931328 0.271244 0.276429 O\n0.802093 0.228416 0.421386 O\n0.302093 0.271584 0.578614 O\n0.197907 0.771584 0.578614 O\n0.697907 0.728416 0.421386 O\n0.921420 0.077134 0.605079 O\n0.421420 0.422866 0.394921 O\n0.078580 0.922866 0.394921 O\n0.578580 0.577134 0.605079 O\n",
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],
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"formula_full": "Li24 Y4 B12 O36",
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{
"id": "mp-1257987",
"created_at": "2022-09-04T14:39:05.749729Z",
"structure_string": "Ca16 Mg1 Al14 Si9 O56\n1.0\n6.793461 0.028513 -0.072396\n0.025673 7.149068 -0.137868\n0.231994 -0.506266 27.776198\nCa Mg Al Si O\n16 1 14 9 56\ndirect\n0.205476 0.087690 0.164946 Ca\n0.256441 0.315767 0.425373 Ca\n0.323456 0.691826 0.020036 Ca\n0.302580 0.660585 0.778459 Ca\n0.516466 0.058991 0.732123 Ca\n0.209207 0.621942 0.294000 Ca\n0.536187 0.077683 0.972898 Ca\n0.279422 0.581942 0.540605 Ca\n0.759883 0.304657 0.091080 Ca\n0.607565 0.045154 0.341482 Ca\n0.595542 0.795714 0.466739 Ca\n0.705228 0.163178 0.847842 Ca\n0.497144 0.551622 0.657918 Ca\n0.473162 0.623161 0.184152 Ca\n0.497237 0.569716 0.892760 Ca\n0.712978 0.187368 0.603293 Ca\n0.943281 0.943526 0.241466 Mg\n0.016097 0.039719 0.987997 Al\n0.102317 0.636928 0.122214 Al\n0.031872 0.945110 0.505503 Al\n0.002927 0.011389 0.748753 Al\n0.010898 0.531811 0.877273 Al\n0.747240 0.311336 0.478966 Al\n0.809226 0.371626 0.728514 Al\n0.813660 0.396796 0.965774 Al\n0.534719 0.925395 0.110706 Al\n0.214527 0.894783 0.900536 Al\n0.222235 0.804847 0.408108 Al\n0.207731 0.864354 0.659828 Al\n0.911706 0.466078 0.374152 Al\n0.017428 0.494547 0.645849 Al\n0.801643 0.725337 0.040014 Si\n0.928305 0.405456 0.202207 Si\n0.706162 0.636097 0.284208 Si\n0.779791 0.625901 0.561345 Si\n0.759466 0.715882 0.797896 Si\n0.230474 0.235499 0.067188 Si\n0.112020 0.097089 0.342675 Si\n0.251810 0.216663 0.828438 Si\n0.246144 0.183042 0.589155 Si\n0.691610 0.562305 0.006052 O\n0.502977 0.547952 0.263151 O\n0.819012 0.416794 0.536206 O\n0.679140 0.560140 0.757686 O\n0.197229 0.819451 0.209555 O\n0.109650 0.928358 0.302293 O\n0.142952 0.592908 0.376650 O\n0.242346 0.140715 0.010983 O\n0.376116 0.795980 0.705357 O\n0.218746 0.463187 0.067562 O\n0.314023 0.777388 0.109011 O\n0.203307 0.792614 0.472260 O\n0.318803 0.214604 0.345848 O\n0.425800 0.370415 0.822572 O\n0.200702 0.687754 0.862330 O\n0.223449 0.105080 0.775204 O\n0.419055 0.341030 0.586993 O\n0.196826 0.648304 0.625523 O\n0.185038 0.111835 0.534465 O\n0.390036 0.817865 0.943943 O\n0.045341 0.151519 0.095627 O\n0.018584 0.814953 0.173880 O\n0.921244 0.245388 0.339625 O\n0.045119 0.275147 0.614091 O\n0.080897 0.008651 0.396946 O\n0.040809 0.314269 0.844408 O\n0.998383 0.960745 0.687150 O\n0.998658 0.989485 0.925946 O\n0.994027 0.821594 0.016375 O\n0.129473 0.461667 0.169445 O\n0.902369 0.405564 0.434732 O\n0.905697 0.551502 0.252234 O\n0.955839 0.768319 0.545608 O\n0.032259 0.460971 0.707668 O\n0.970988 0.804928 0.782033 O\n0.015371 0.495519 0.938671 O\n0.829773 0.203490 0.004393 O\n0.983537 0.199373 0.220716 O\n0.747221 0.597566 0.340843 O\n0.871450 0.628313 0.089661 O\n0.731756 0.422388 0.169639 O\n0.701638 0.862349 0.275561 O\n0.812804 0.172664 0.765176 O\n0.788263 0.619083 0.851204 O\n0.637277 0.314619 0.922944 O\n0.586981 0.874176 0.803453 O\n0.618653 0.878069 0.047316 O\n0.806671 0.060020 0.486665 O\n0.792935 0.586265 0.620131 O\n0.507279 0.402709 0.468545 O\n0.647167 0.289176 0.681818 O\n0.571046 0.722336 0.547816 O\n0.435968 0.169027 0.095183 O\n0.468640 0.865304 0.397002 O\n0.336826 0.018910 0.622601 O\n0.332584 0.073058 0.868784 O\n",
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