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{
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{
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{
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{
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{
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"structure_string": "Ba12 B4 Br12 O12\n1.0\n9.401419 0.000000 0.000000\n-4.167533 8.477319 0.000000\n-1.903435 -1.593751 12.955279\nBa B Br O\n12 4 12 12\ndirect\n0.639973 0.003875 0.893940 Ba\n0.360027 0.996125 0.106060 Ba\n0.755435 0.575888 0.979088 Ba\n0.244565 0.424112 0.020912 Ba\n0.382123 0.527284 0.751011 Ba\n0.617877 0.472716 0.248989 Ba\n0.725304 0.951401 0.576112 Ba\n0.274696 0.048599 0.423888 Ba\n0.838638 0.511867 0.642903 Ba\n0.161362 0.488133 0.357097 Ba\n0.172963 0.010082 0.766322 Ba\n0.827037 0.989918 0.233678 Ba\n0.737424 0.740660 0.741053 B\n0.262576 0.259340 0.258947 B\n0.422667 0.242217 0.947511 B\n0.577333 0.757783 0.052489 B\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Br\n0.946781 0.264246 0.791167 Br\n0.053219 0.735754 0.208833 Br\n0.521984 0.148988 0.656905 Br\n0.478016 0.851012 0.343095 Br\n0.862990 0.311750 0.106769 Br\n0.137010 0.688250 0.893231 Br\n0.116040 0.209095 0.573580 Br\n0.883960 0.790905 0.426420 Br\n0.212397 0.712616 0.588667 Br\n0.787603 0.287384 0.411333 Br\n0.697928 0.595283 0.780246 O\n0.302072 0.404717 0.219754 O\n0.870182 0.805625 0.692476 O\n0.129818 0.194375 0.307524 O\n0.421489 0.096981 0.922535 O\n0.578511 0.903019 0.077465 O\n0.349970 0.303500 0.873521 O\n0.650030 0.696500 0.126479 O\n0.515760 0.678450 0.952381 O\n0.484240 0.321550 0.047619 O\n0.634253 0.811072 0.739622 O\n0.365747 0.188928 0.260378 O\n",
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{
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"created_at": "2022-09-04T14:39:24.374005Z",
"structure_string": "Li24 Y8 N16\n1.0\n-5.261903 5.261903 5.261903\n5.261903 -5.261903 5.261903\n5.261903 5.261903 -5.261903\nLi Y N\n24 8 16\ndirect\n0.559632 0.508239 0.270820 Li\n0.762581 0.991761 0.551393 Li\n0.737419 0.288812 0.229180 Li\n0.940368 0.211188 0.948607 Li\n0.551393 0.762581 0.991761 Li\n0.270820 0.559632 0.508239 Li\n0.948607 0.940368 0.211188 Li\n0.229180 0.737419 0.288812 Li\n0.288812 0.229180 0.737419 Li\n0.211188 0.948607 0.940368 Li\n0.508239 0.270820 0.559632 Li\n0.991761 0.551393 0.762581 Li\n0.440368 0.491761 0.729180 Li\n0.237419 0.008239 0.448607 Li\n0.262581 0.711188 0.770820 Li\n0.059632 0.788812 0.051393 Li\n0.448607 0.237419 0.008239 Li\n0.729180 0.440368 0.491761 Li\n0.051393 0.059632 0.788812 Li\n0.770820 0.262581 0.711188 Li\n0.711188 0.770820 0.262581 Li\n0.788812 0.051393 0.059632 Li\n0.491761 0.729180 0.440368 Li\n0.008239 0.448607 0.237419 Li\n0.251473 0.251473 0.251473 Y\n0.000000 0.248527 0.500000 Y\n0.500000 0.000000 0.248527 Y\n0.248527 0.500000 0.000000 Y\n0.748527 0.748527 0.748527 Y\n0.000000 0.751473 0.500000 Y\n0.500000 0.000000 0.751473 Y\n0.751473 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.252207 0.250000 0.502207 N\n0.247793 0.750000 0.997793 N\n0.502207 0.252207 0.250000 N\n0.997793 0.247793 0.750000 N\n0.750000 0.997793 0.247793 N\n0.250000 0.502207 0.252207 N\n0.747793 0.750000 0.497793 N\n0.752207 0.250000 0.002207 N\n0.497793 0.747793 0.750000 N\n0.002207 0.752207 0.250000 N\n0.250000 0.002207 0.752207 N\n0.750000 0.497793 0.747793 N\n",
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{
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{
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{
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"structure_string": "K4 Na2 Zn4 H10 C8 O28\n1.0\n11.153802 0.000000 0.000000\n0.000000 5.218737 0.000000\n0.000000 4.663186 10.660297\nK Na Zn H C O\n4 2 4 10 8 28\ndirect\n0.834706 0.039393 0.924117 K\n0.334706 0.960607 0.575883 K\n0.665294 0.039393 0.424117 K\n0.165294 0.960607 0.075883 K\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.603234 0.674249 0.794735 Zn\n0.103234 0.325751 0.705265 Zn\n0.896766 0.674249 0.294735 Zn\n0.396766 0.325751 0.205265 Zn\n0.000000 0.500000 0.000000 H\n0.308586 0.058818 0.815610 H\n0.331358 0.383980 0.768312 H\n0.831358 0.616020 0.731688 H\n0.808586 0.941182 0.684390 H\n0.500000 0.500000 0.500000 H\n0.191414 0.058818 0.315610 H\n0.168642 0.383980 0.268312 H\n0.668642 0.616020 0.231688 H\n0.691414 0.941182 0.184390 H\n0.372487 0.572477 0.934321 C\n0.075118 0.710056 0.819991 C\n0.575118 0.289944 0.680009 C\n0.872487 0.427523 0.565679 C\n0.127513 0.572477 0.434321 C\n0.424882 0.710056 0.319991 C\n0.924882 0.289944 0.180009 C\n0.627513 0.427523 0.065679 C\n0.620054 0.668938 0.969348 O\n0.332699 0.789827 0.947928 O\n0.046127 0.470700 0.911263 O\n0.062046 0.939396 0.836807 O\n0.407940 0.586559 0.824733 O\n0.615335 0.292593 0.783557 O\n0.789933 0.756397 0.756823 O\n0.289933 0.243603 0.743177 O\n0.115335 0.707407 0.716443 O\n0.907940 0.413441 0.675267 O\n0.562046 0.060604 0.663193 O\n0.546127 0.529300 0.588737 O\n0.832699 0.210173 0.552072 O\n0.120054 0.331062 0.530652 O\n0.879946 0.668938 0.469348 O\n0.167301 0.789827 0.447928 O\n0.453873 0.470700 0.411263 O\n0.437954 0.939396 0.336807 O\n0.092060 0.586559 0.324733 O\n0.884665 0.292593 0.283557 O\n0.710067 0.756397 0.256823 O\n0.210067 0.243603 0.243177 O\n0.384665 0.707407 0.216443 O\n0.592060 0.413441 0.175267 O\n0.937954 0.060604 0.163193 O\n0.953873 0.529300 0.088737 O\n0.667301 0.210173 0.052072 O\n0.379946 0.331062 0.030652 O\n",
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"structure_string": "K6 Li4 Nb10 O30\n1.0\n12.743619 0.000000 0.000000\n0.000000 12.743619 0.000000\n0.000000 0.000000 4.171706\nK Li Nb O\n6 4 10 30\ndirect\n0.000000 0.000000 0.492982 K\n0.671919 0.171919 0.497195 K\n0.171919 0.328081 0.497195 K\n0.500000 0.500000 0.492982 K\n0.828081 0.671919 0.497195 K\n0.328081 0.828081 0.497195 K\n0.375834 0.124166 0.547029 Li\n0.875834 0.375834 0.547029 Li\n0.124166 0.624166 0.547029 Li\n0.624166 0.875834 0.547029 Li\n0.500000 0.000000 0.008096 Nb\n0.207665 0.076339 0.012726 Nb\n0.923661 0.207665 0.012726 Nb\n0.423661 0.292335 0.012726 Nb\n0.707665 0.423661 0.012726 Nb\n0.000000 0.500000 0.008096 Nb\n0.292335 0.576339 0.012726 Nb\n0.576339 0.707665 0.012726 Nb\n0.076339 0.792335 0.012726 Nb\n0.792335 0.923661 0.012726 Nb\n0.500000 0.000000 0.456904 O\n0.345750 0.003083 0.940529 O\n0.858664 0.068267 0.965769 O\n0.216332 0.080264 0.457738 O\n0.068267 0.141336 0.965769 O\n0.496917 0.154250 0.940529 O\n0.289014 0.210986 0.950694 O\n0.919736 0.216332 0.457738 O\n0.419736 0.283668 0.457738 O\n0.789014 0.289014 0.950694 O\n0.996917 0.345750 0.940529 O\n0.568267 0.358664 0.965769 O\n0.716332 0.419736 0.457738 O\n0.358664 0.431733 0.965769 O\n0.845750 0.496917 0.940529 O\n0.000000 0.500000 0.456904 O\n0.154250 0.503083 0.940529 O\n0.641336 0.568267 0.965769 O\n0.283668 0.580264 0.457738 O\n0.431733 0.641336 0.965769 O\n0.003083 0.654250 0.940529 O\n0.210986 0.710986 0.950694 O\n0.580264 0.716332 0.457738 O\n0.080264 0.783668 0.457738 O\n0.710986 0.789014 0.950694 O\n0.503083 0.845750 0.940529 O\n0.931733 0.858664 0.965769 O\n0.783668 0.919736 0.457738 O\n0.141336 0.931733 0.965769 O\n0.654250 0.996917 0.940529 O\n",
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"volume_molar": 8.159811938787156,
"formula_full": "K6 Li4 Nb10 O30",
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"updated_at": "2021-11-28T01:37:49.497000Z",
"spacegroup": 100
},
{
"id": "mp-677649",
"created_at": "2022-09-04T14:39:48.686304Z",
"structure_string": "Sr1 La9 Mg1 Ga9 O29\n1.0\n4.819669 0.006269 2.766818\n1.611150 4.577220 2.762537\n-0.048822 -0.011586 27.849731\nSr La Mg Ga O\n1 9 1 9 29\ndirect\n0.236049 0.751603 0.154084 Sr\n0.753604 0.256711 0.045484 La\n0.250027 0.750950 0.348562 La\n0.707682 0.263225 0.256007 La\n0.250369 0.740111 0.551570 La\n0.751216 0.261960 0.446953 La\n0.252542 0.741262 0.750798 La\n0.751579 0.259913 0.647435 La\n0.264078 0.740462 0.948976 La\n0.752150 0.257920 0.847826 La\n0.530073 0.975124 0.202825 Mg\n0.970518 0.526979 0.094853 Ga\n0.999321 0.503228 0.298580 Ga\n0.000047 0.501300 0.499522 Ga\n0.498386 0.996818 0.401854 Ga\n0.000637 0.499897 0.699687 Ga\n0.501365 0.000652 0.599377 Ga\n0.001091 0.501471 0.899086 Ga\n0.502096 0.000962 0.799160 Ga\n0.495369 0.002344 0.000984 Ga\n0.268981 0.186025 0.066217 O\n0.302073 0.692063 0.046246 O\n0.243032 0.183511 0.262863 O\n0.271020 0.727344 0.241738 O\n0.810910 0.713825 0.034031 O\n0.219801 0.296105 0.355609 O\n0.737478 0.288445 0.159070 O\n0.245572 0.164693 0.467343 O\n0.761785 0.833012 0.131090 O\n0.291904 0.705364 0.441231 O\n0.771355 0.674405 0.249755 O\n0.202278 0.296351 0.559471 O\n0.706020 0.284517 0.362174 O\n0.249283 0.166275 0.666935 O\n0.741808 0.827785 0.336413 O\n0.295525 0.703332 0.641528 O\n0.795882 0.697142 0.441721 O\n0.202019 0.294707 0.759799 O\n0.702753 0.295742 0.560032 O\n0.252554 0.168135 0.866122 O\n0.747896 0.834584 0.533470 O\n0.296445 0.702283 0.842265 O\n0.795354 0.702845 0.641134 O\n0.202208 0.287448 0.960248 O\n0.703127 0.296706 0.759358 O\n0.748282 0.832571 0.733627 O\n0.797464 0.704448 0.840188 O\n0.704911 0.298978 0.956966 O\n0.740679 0.831867 0.933210 O\n",
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],
"chemical_system": "Ga-La-Mg-O-Sr",
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"volume": 614.8229287763796,
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"formula_full": "Sr1 La9 Mg1 Ga9 O29",
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"updated_at": "2021-11-28T01:34:43.047000Z",
"spacegroup": 1
},
{
"id": "mp-10135",
"created_at": "2022-09-04T14:46:37.914534Z",
"structure_string": "Yb1 B1 Pd3\n1.0\n4.281950 0.000000 0.000000\n0.000000 4.281950 0.000000\n0.000000 0.000000 4.281950\nYb B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 B\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
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"elements": [
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],
"chemical_system": "B-Pd-Yb",
"density": 10.641139460462322,
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"volume": 78.50996347151488,
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"formula_full": "Yb1 B1 Pd3",
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"updated_at": "2021-11-28T01:37:38.229000Z",
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}
]
}