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"elements": [
"B",
"H"
],
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"volume": 754.1472537129598,
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{
"id": "oqmd-688299",
"created_at": "2022-09-04T15:52:21.457362Z",
"updated_at": "2022-09-04T15:52:21.457392Z",
"structure_string": "B40 H52 Br4\n1.0\n12.116571 0.000000 0.000000\n0.000000 7.481678 0.000000\n-4.587527 0.000000 9.951959\nB Br H\n40 4 52\ndirect\n0.615175 0.670201 0.001387 B\n0.817027 0.949152 0.011087 B\n0.685586 0.910396 0.040911 B\n0.846035 0.525380 0.049564 B\n0.310930 0.486506 0.060761 B\n0.915764 0.766154 0.088566 B\n0.729450 0.518811 0.109341 B\n0.717378 0.739613 0.159818 B\n0.835912 0.884248 0.169089 B\n0.861715 0.650616 0.190668 B\n0.138285 0.150616 0.309332 B\n0.164088 0.384248 0.330911 B\n0.282622 0.239613 0.340182 B\n0.270550 0.018811 0.390659 B\n0.084236 0.266154 0.411434 B\n0.689070 0.986506 0.439239 B\n0.153965 0.025380 0.450436 B\n0.314414 0.410396 0.459089 B\n0.182973 0.449152 0.488913 B\n0.384825 0.170201 0.498613 B\n0.615175 0.829799 0.501387 B\n0.817027 0.550848 0.511087 B\n0.685586 0.589604 0.540911 B\n0.846035 0.974620 0.549564 B\n0.310930 0.013494 0.560761 B\n0.915764 0.733846 0.588566 B\n0.729450 0.981189 0.609341 B\n0.717378 0.760387 0.659818 B\n0.835912 0.615752 0.669089 B\n0.861715 0.849384 0.690668 B\n0.138285 0.349384 0.809332 B\n0.164088 0.115752 0.830911 B\n0.282622 0.260387 0.840182 B\n0.270550 0.481189 0.890659 B\n0.084236 0.233846 0.911434 B\n0.689070 0.513494 0.939239 B\n0.153965 0.474620 0.950436 B\n0.314414 0.089604 0.959089 B\n0.182973 0.050848 0.988913 B\n0.384825 0.329799 0.998613 B\n0.391557 0.667866 0.193405 Br\n0.608443 0.167866 0.306595 Br\n0.391557 0.832134 0.693405 Br\n0.608443 0.332134 0.806595 Br\n0.155866 0.915809 0.026854 H\n0.616257 0.028898 0.029474 H\n0.491500 0.341393 0.032883 H\n0.140933 0.184626 0.039233 H\n0.911480 0.405235 0.052197 H\n0.299027 0.083398 0.072390 H\n0.211337 0.431205 0.078147 H\n0.368016 0.328271 0.109456 H\n0.021105 0.777559 0.113249 H\n0.709614 0.393196 0.163809 H\n0.061750 0.097308 0.205945 H\n0.671737 0.758412 0.237044 H\n0.118252 0.483262 0.237841 H\n0.881748 0.983262 0.262159 H\n0.328263 0.258412 0.262956 H\n0.938250 0.597308 0.294055 H\n0.290386 0.893196 0.336191 H\n0.978895 0.277559 0.386751 H\n0.631984 0.828271 0.390544 H\n0.788663 0.931205 0.421853 H\n0.700973 0.583398 0.427610 H\n0.088520 0.905235 0.447803 H\n0.859067 0.684626 0.460767 H\n0.508500 0.841393 0.467117 H\n0.383743 0.528898 0.470526 H\n0.844134 0.415809 0.473146 H\n0.155866 0.584191 0.526854 H\n0.616257 0.471102 0.529474 H\n0.491500 0.158607 0.532883 H\n0.140933 0.315374 0.539233 H\n0.911480 0.094765 0.552197 H\n0.299027 0.416602 0.572390 H\n0.211337 0.068795 0.578147 H\n0.368016 0.171729 0.609456 H\n0.021105 0.722441 0.613249 H\n0.709614 0.106804 0.663809 H\n0.061750 0.402692 0.705945 H\n0.671737 0.741588 0.737044 H\n0.118252 0.016738 0.737841 H\n0.881748 0.516738 0.762159 H\n0.328263 0.241588 0.762956 H\n0.938250 0.902692 0.794055 H\n0.290386 0.606804 0.836191 H\n0.978895 0.222441 0.886751 H\n0.631984 0.671729 0.890544 H\n0.788663 0.568795 0.921853 H\n0.700973 0.916602 0.927610 H\n0.088520 0.594765 0.947803 H\n0.859067 0.815374 0.960767 H\n0.508500 0.658607 0.967117 H\n0.383743 0.971102 0.970526 H\n0.844134 0.084191 0.973146 H\n",
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"elements": [
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"volume": 902.1678005488552,
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{
"id": "oqmd-677025",
"created_at": "2022-09-04T15:52:21.909655Z",
"updated_at": "2022-09-04T15:52:21.909676Z",
"structure_string": "Zn4 H48 Se4 O40\n1.0\n6.800191 0.000000 0.000000\n0.000000 6.800191 0.000000\n0.000000 0.000000 17.398756\nH O Se Zn\n48 40 4 4\ndirect\n0.596030 0.355236 0.038532 H\n0.078685 0.652652 0.053243 H\n0.499983 0.987323 0.065608 H\n0.043427 0.885304 0.069962 H\n0.770352 0.423720 0.097690 H\n0.476569 0.780235 0.114282 H\n0.023431 0.280235 0.135718 H\n0.729648 0.923720 0.152310 H\n0.456573 0.385304 0.180038 H\n0.000000 0.487323 0.184392 H\n0.421315 0.152652 0.196757 H\n0.903970 0.855236 0.211468 H\n0.144764 0.096030 0.288532 H\n0.847348 0.578685 0.303243 H\n0.512677 0.000000 0.315608 H\n0.614696 0.543427 0.319962 H\n0.076280 0.270352 0.347690 H\n0.719765 0.976569 0.364282 H\n0.219765 0.523431 0.385718 H\n0.576280 0.229648 0.402310 H\n0.114696 0.956573 0.430038 H\n0.012677 0.500017 0.434392 H\n0.347348 0.921315 0.446757 H\n0.644764 0.403970 0.461468 H\n0.403970 0.644764 0.538532 H\n0.921315 0.347348 0.553243 H\n0.500017 0.012677 0.565608 H\n0.956573 0.114696 0.569962 H\n0.229648 0.576280 0.597690 H\n0.523431 0.219765 0.614282 H\n0.976569 0.719765 0.635718 H\n0.270352 0.076280 0.652310 H\n0.543427 0.614696 0.680038 H\n0.000000 0.512677 0.684392 H\n0.578685 0.847348 0.696757 H\n0.096030 0.144764 0.711468 H\n0.855236 0.903970 0.788532 H\n0.152652 0.421315 0.803243 H\n0.487323 0.000000 0.815608 H\n0.385304 0.456573 0.819962 H\n0.923720 0.729648 0.847690 H\n0.280235 0.023431 0.864282 H\n0.780235 0.476569 0.885718 H\n0.423720 0.770352 0.902310 H\n0.885304 0.043427 0.930038 H\n0.987323 0.499983 0.934392 H\n0.652652 0.078685 0.946757 H\n0.355236 0.596030 0.961468 H\n0.176377 0.460416 0.001008 O\n0.679350 0.465851 0.055818 O\n0.979650 0.753727 0.065696 O\n0.127777 0.114902 0.079420 O\n0.569668 0.873257 0.088387 O\n0.930332 0.373257 0.161613 O\n0.372223 0.614902 0.170580 O\n0.520350 0.253727 0.184304 O\n0.820650 0.965851 0.194182 O\n0.323623 0.960416 0.248992 O\n0.039584 0.676377 0.251008 O\n0.034149 0.179350 0.305818 O\n0.746273 0.479650 0.315696 O\n0.385098 0.627777 0.329420 O\n0.626743 0.069668 0.338387 O\n0.126743 0.430332 0.411613 O\n0.885098 0.872223 0.420580 O\n0.246273 0.020350 0.434304 O\n0.534149 0.320650 0.444182 O\n0.539584 0.823623 0.498992 O\n0.823623 0.539584 0.501008 O\n0.320650 0.534149 0.555818 O\n0.020350 0.246273 0.565696 O\n0.872223 0.885098 0.579420 O\n0.430332 0.126743 0.588387 O\n0.069668 0.626743 0.661613 O\n0.627777 0.385098 0.670580 O\n0.479650 0.746273 0.684304 O\n0.179350 0.034149 0.694182 O\n0.676377 0.039584 0.748992 O\n0.960416 0.323623 0.751008 O\n0.965851 0.820650 0.805818 O\n0.253727 0.520350 0.815696 O\n0.614902 0.372223 0.829420 O\n0.373257 0.930332 0.838387 O\n0.873257 0.569668 0.911613 O\n0.114902 0.127777 0.920580 O\n0.753727 0.979650 0.934304 O\n0.465851 0.679350 0.944182 O\n0.460416 0.176377 0.998992 O\n0.218438 0.218438 0.000000 Se\n0.281562 0.718438 0.250000 Se\n0.781562 0.781562 0.500000 Se\n0.718438 0.281562 0.750000 Se\n0.723792 0.723792 0.000000 Zn\n0.776208 0.223792 0.250000 Zn\n0.276208 0.276208 0.500000 Zn\n0.223792 0.776208 0.750000 Zn\n",
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"elements": [
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],
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{
"id": "oqmd-12334",
"created_at": "2022-09-04T15:03:01.532006Z",
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"structure_string": "Li56 Ta8 N32\n1.0\n9.771882 0.000000 0.000000\n0.000000 9.771882 0.000000\n0.000000 0.000000 9.771882\nLi N Ta\n56 32 8\ndirect\n0.632237 0.120281 0.099213 Li\n0.867762 0.620281 0.099213 Li\n0.368948 0.359790 0.116192 Li\n0.131052 0.859790 0.116192 Li\n0.400787 0.132238 0.120281 Li\n0.099213 0.632237 0.120281 Li\n0.859790 0.116192 0.131052 Li\n0.640209 0.616191 0.131052 Li\n0.868463 0.368463 0.131538 Li\n0.631538 0.868463 0.131538 Li\n0.120281 0.400787 0.132238 Li\n0.379719 0.900787 0.132238 Li\n0.616191 0.368948 0.140209 Li\n0.883808 0.868948 0.140209 Li\n0.116192 0.368948 0.359790 Li\n0.383808 0.868948 0.359790 Li\n0.620281 0.400787 0.367762 Li\n0.879720 0.900787 0.367762 Li\n0.368463 0.368463 0.368463 Li\n0.131538 0.868463 0.368463 Li\n0.359790 0.116192 0.368948 Li\n0.140209 0.616191 0.368948 Li\n0.900787 0.132238 0.379719 Li\n0.599213 0.632237 0.379719 Li\n0.868948 0.359790 0.383808 Li\n0.631051 0.859790 0.383808 Li\n0.132238 0.120281 0.400787 Li\n0.367762 0.620281 0.400787 Li\n0.632237 0.379719 0.599213 Li\n0.867762 0.879720 0.599213 Li\n0.368948 0.140209 0.616191 Li\n0.131052 0.640209 0.616191 Li\n0.400787 0.367762 0.620281 Li\n0.099213 0.867762 0.620281 Li\n0.859790 0.383808 0.631051 Li\n0.640209 0.883808 0.631051 Li\n0.868463 0.131538 0.631538 Li\n0.631538 0.631538 0.631538 Li\n0.120281 0.099213 0.632237 Li\n0.379719 0.599213 0.632237 Li\n0.616191 0.131052 0.640209 Li\n0.883808 0.631051 0.640209 Li\n0.116192 0.131052 0.859790 Li\n0.383808 0.631051 0.859790 Li\n0.620281 0.099213 0.867762 Li\n0.879720 0.599213 0.867762 Li\n0.368463 0.131538 0.868463 Li\n0.131538 0.631538 0.868463 Li\n0.359790 0.383808 0.868948 Li\n0.140209 0.883808 0.868948 Li\n0.900787 0.367762 0.879720 Li\n0.599213 0.867762 0.879720 Li\n0.868948 0.140209 0.883808 Li\n0.631051 0.640209 0.883808 Li\n0.132238 0.379719 0.900787 Li\n0.367762 0.879720 0.900787 Li\n0.244824 0.013715 0.009523 N\n0.255176 0.513715 0.009523 N\n0.009523 0.244824 0.013715 N\n0.490477 0.744824 0.013715 N\n0.243066 0.243066 0.243066 N\n0.256934 0.743066 0.243066 N\n0.013715 0.009523 0.244824 N\n0.486285 0.509523 0.244824 N\n0.513715 0.009523 0.255176 N\n0.986285 0.509523 0.255176 N\n0.743066 0.243066 0.256934 N\n0.756934 0.743066 0.256934 N\n0.509523 0.244824 0.486285 N\n0.990477 0.744824 0.486285 N\n0.744824 0.013715 0.490477 N\n0.755176 0.513715 0.490477 N\n0.244824 0.486285 0.509523 N\n0.255176 0.986285 0.509523 N\n0.009523 0.255176 0.513715 N\n0.490477 0.755176 0.513715 N\n0.243066 0.256934 0.743066 N\n0.256934 0.756934 0.743066 N\n0.013715 0.490477 0.744824 N\n0.486285 0.990477 0.744824 N\n0.513715 0.490477 0.755176 N\n0.986285 0.990477 0.755176 N\n0.743066 0.256934 0.756934 N\n0.756934 0.756934 0.756934 N\n0.509523 0.255176 0.986285 N\n0.990477 0.755176 0.986285 N\n0.744824 0.486285 0.990477 N\n0.755176 0.986285 0.990477 N\n0.127691 0.127691 0.127691 Ta\n0.372309 0.627691 0.127691 Ta\n0.627691 0.127691 0.372309 Ta\n0.872309 0.627691 0.372309 Ta\n0.127691 0.372309 0.627691 Ta\n0.372309 0.872309 0.627691 Ta\n0.627691 0.372309 0.872309 Ta\n0.872309 0.872309 0.872309 Ta\n",
"nsites": 96,
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"volume": 933.1138638938583,
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"formula_full": "Li56 Ta8 N32",
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{
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