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{
"count": 146323,
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"results": [
{
"id": "mp-685031",
"created_at": "2022-09-04T14:41:05.302180Z",
"structure_string": "Tb48 Se90\n1.0\n11.638537 0.317023 -0.425217\n-0.245549 11.759959 -0.396259\n-0.196924 -1.018115 25.083392\nTb Se\n48 90\ndirect\n0.985630 0.251023 0.247866 Tb\n0.999943 0.246914 0.749800 Tb\n0.152976 0.851295 0.332811 Tb\n0.139659 0.864886 0.839777 Tb\n0.123113 0.850900 0.170133 Tb\n0.113557 0.855076 0.673794 Tb\n0.148245 0.858378 0.002131 Tb\n0.156651 0.852656 0.511533 Tb\n0.217813 0.510860 0.245690 Tb\n0.217689 0.514969 0.746696 Tb\n0.247900 0.492607 0.081094 Tb\n0.262665 0.511528 0.418803 Tb\n0.234599 0.497765 0.584250 Tb\n0.264946 0.508552 0.915920 Tb\n0.368011 0.107042 0.160858 Tb\n0.367794 0.100779 0.673860 Tb\n0.384605 0.105528 0.330162 Tb\n0.392495 0.106009 0.833326 Tb\n0.414773 0.133368 0.992330 Tb\n0.414825 0.129142 0.490656 Tb\n0.478646 0.761203 0.248359 Tb\n0.479931 0.763515 0.752965 Tb\n0.490848 0.722872 0.095237 Tb\n0.491235 0.720153 0.596733 Tb\n0.502723 0.771710 0.923564 Tb\n0.506602 0.767735 0.414889 Tb\n0.649185 0.398513 0.483928 Tb\n0.645241 0.393218 0.988639 Tb\n0.617461 0.333942 0.180690 Tb\n0.617588 0.333713 0.678468 Tb\n0.658456 0.348590 0.837637 Tb\n0.658357 0.347493 0.336122 Tb\n0.737471 0.972886 0.257349 Tb\n0.733759 0.986838 0.753123 Tb\n0.720586 0.995441 0.098590 Tb\n0.754466 0.034293 0.408420 Tb\n0.714957 0.994664 0.594130 Tb\n0.769663 0.027609 0.907783 Tb\n0.867426 0.614763 0.164847 Tb\n0.896665 0.615320 0.331469 Tb\n0.868934 0.611852 0.664217 Tb\n0.898366 0.602634 0.831304 Tb\n0.904164 0.621476 0.990880 Tb\n0.905459 0.628125 0.491606 Tb\n0.010811 0.275850 0.412761 Tb\n0.013827 0.269476 0.067164 Tb\n0.008788 0.219084 0.579323 Tb\n0.003580 0.260659 0.911547 Tb\n0.003511 0.988927 0.262744 Se\n0.993129 0.981903 0.761450 Se\n0.049945 0.687405 0.249523 Se\n0.048060 0.687235 0.750406 Se\n0.062013 0.693802 0.077718 Se\n0.079980 0.697399 0.417186 Se\n0.060523 0.686534 0.583315 Se\n0.076647 0.689075 0.916009 Se\n0.064551 0.440796 0.158495 Se\n0.078675 0.435689 0.330545 Se\n0.058615 0.428838 0.661190 Se\n0.079754 0.431680 0.832010 Se\n0.083180 0.435574 0.992600 Se\n0.082812 0.437592 0.494807 Se\n0.160091 0.110051 0.499672 Se\n0.125728 0.116337 0.332559 Se\n0.142972 0.131295 0.833793 Se\n0.096523 0.103388 0.155971 Se\n0.111110 0.104486 0.668777 Se\n0.249616 0.217205 0.066460 Se\n0.276472 0.263413 0.406700 Se\n0.253725 0.219827 0.576813 Se\n0.264843 0.251567 0.910444 Se\n0.273159 0.276658 0.757474 Se\n0.255102 0.254481 0.246196 Se\n0.301876 0.935086 0.249125 Se\n0.301130 0.933963 0.754919 Se\n0.294013 0.908843 0.095432 Se\n0.319420 0.938333 0.412430 Se\n0.293572 0.908053 0.604128 Se\n0.318479 0.944441 0.919835 Se\n0.332743 0.669816 0.327738 Se\n0.329973 0.674324 0.831771 Se\n0.308743 0.667026 0.673198 Se\n0.308416 0.666776 0.169835 Se\n0.323102 0.669855 0.003360 Se\n0.320952 0.663057 0.507960 Se\n0.394938 0.378430 0.995285 Se\n0.405332 0.378405 0.501168 Se\n0.367464 0.365282 0.182624 Se\n0.363704 0.357362 0.679666 Se\n0.494944 0.468517 0.589098 Se\n0.505472 0.474224 0.096995 Se\n0.523044 0.515232 0.897887 Se\n0.517831 0.510371 0.392727 Se\n0.555930 0.918829 0.174419 Se\n0.553880 0.916181 0.675785 Se\n0.566589 0.926661 0.334157 Se\n0.569794 0.926822 0.836580 Se\n0.644738 0.954444 0.988014 Se\n0.617618 0.957476 0.484326 Se\n0.548485 0.174541 0.093410 Se\n0.538817 0.167283 0.596871 Se\n0.573153 0.198551 0.911531 Se\n0.570039 0.200321 0.409746 Se\n0.547831 0.182669 0.258164 Se\n0.554481 0.181836 0.758129 Se\n0.813064 0.300950 0.121737 Se\n0.800882 0.313953 0.611542 Se\n0.612700 0.589917 0.179160 Se\n0.612188 0.593262 0.684085 Se\n0.452397 0.916749 0.538554 Se\n0.474015 0.917050 0.035659 Se\n0.639353 0.643458 0.999555 Se\n0.635167 0.646027 0.494381 Se\n0.721204 0.714465 0.261745 Se\n0.733900 0.719358 0.759161 Se\n0.751511 0.749760 0.077122 Se\n0.782006 0.768053 0.411618 Se\n0.744536 0.751408 0.576829 Se\n0.771739 0.752547 0.907616 Se\n0.821700 0.470522 0.067348 Se\n0.809681 0.484408 0.564467 Se\n0.828078 0.453387 0.409679 Se\n0.826804 0.446416 0.911112 Se\n0.846813 0.200828 0.483700 Se\n0.832840 0.210511 0.985949 Se\n0.803875 0.429778 0.256538 Se\n0.802530 0.425281 0.756021 Se\n0.793560 0.146551 0.187771 Se\n0.832693 0.176761 0.332231 Se\n0.803521 0.150053 0.680613 Se\n0.831607 0.175884 0.830398 Se\n0.895288 0.876373 0.346398 Se\n0.872161 0.861791 0.170289 Se\n0.873035 0.855646 0.833329 Se\n0.861557 0.859172 0.663336 Se\n0.014315 0.000369 0.932480 Se\n0.958764 0.971146 0.554598 Se\n0.992470 0.026220 0.072278 Se\n",
"nsites": 138,
"nelements": 2,
"elements": [
"Tb",
"Se"
],
"chemical_system": "Se-Tb",
"density": 7.134860659244871,
"density_atomic": 0.040241183444353644,
"volume": 3429.3226040638024,
"volume_molar": 14.965118429798526,
"formula_full": "Tb48 Se90",
"formula_reduced": "Tb8Se15",
"formula_anonymous": "A8B15",
"energy": -794.19458478,
"energy_per_atom": -5.755033223043478,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -751.71458478,
"band_gap": 0.0933999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.015000Z",
"spacegroup": 1
},
{
"id": "mp-1208176",
"created_at": "2022-09-04T14:46:18.186685Z",
"structure_string": "Zn122 Pd16\n1.0\n6.328103 4.558981 -0.000000\n-6.328103 4.558981 -0.000000\n0.000000 -0.000000 36.058746\nZn Pd\n122 16\ndirect\n0.324359 0.093816 0.344235 Zn\n0.675641 0.906184 0.655765 Zn\n0.175641 0.406184 0.844235 Zn\n0.593816 0.824359 0.155765 Zn\n0.824359 0.593816 0.155765 Zn\n0.406184 0.175641 0.844235 Zn\n0.906184 0.675641 0.655765 Zn\n0.093816 0.324359 0.344235 Zn\n0.419625 0.779126 0.087680 Zn\n0.580375 0.220874 0.912320 Zn\n0.080375 0.720874 0.587680 Zn\n0.279126 0.919625 0.412320 Zn\n0.919625 0.279126 0.412320 Zn\n0.720874 0.080375 0.587680 Zn\n0.220874 0.580375 0.912320 Zn\n0.779126 0.419625 0.087680 Zn\n0.046271 0.046271 0.464027 Zn\n0.953729 0.953729 0.535973 Zn\n0.453729 0.453729 0.964027 Zn\n0.546271 0.546271 0.035973 Zn\n0.273954 0.914915 0.034248 Zn\n0.726046 0.085085 0.965752 Zn\n0.226046 0.585085 0.534248 Zn\n0.414915 0.773954 0.465752 Zn\n0.773954 0.414915 0.465752 Zn\n0.585085 0.226046 0.534248 Zn\n0.085085 0.726046 0.965752 Zn\n0.914915 0.273954 0.034248 Zn\n0.405798 0.154213 0.220205 Zn\n0.594202 0.845787 0.779795 Zn\n0.094202 0.345787 0.720205 Zn\n0.654213 0.905798 0.279795 Zn\n0.905798 0.654213 0.279795 Zn\n0.345787 0.094202 0.720205 Zn\n0.845787 0.594202 0.779795 Zn\n0.154213 0.405798 0.220205 Zn\n0.574362 0.210559 0.025966 Zn\n0.425638 0.789441 0.974034 Zn\n0.925638 0.289441 0.525966 Zn\n0.710559 0.074362 0.474034 Zn\n0.074362 0.710559 0.474034 Zn\n0.289441 0.925638 0.525966 Zn\n0.789441 0.425638 0.974034 Zn\n0.210559 0.574362 0.025966 Zn\n0.034901 0.034901 0.079735 Zn\n0.965099 0.965099 0.920265 Zn\n0.465099 0.465099 0.579735 Zn\n0.534901 0.534901 0.420265 Zn\n0.723099 0.081861 0.101011 Zn\n0.276901 0.918139 0.898989 Zn\n0.776901 0.418139 0.601011 Zn\n0.581861 0.223099 0.398989 Zn\n0.223099 0.581861 0.398989 Zn\n0.418139 0.776901 0.601011 Zn\n0.918139 0.276901 0.898989 Zn\n0.081861 0.723099 0.101011 Zn\n0.669037 0.908402 0.032572 Zn\n0.330963 0.091598 0.967428 Zn\n0.830963 0.591598 0.532572 Zn\n0.408402 0.169037 0.467428 Zn\n0.169037 0.408402 0.467428 Zn\n0.591598 0.830963 0.532572 Zn\n0.091598 0.330963 0.967428 Zn\n0.908402 0.669037 0.032572 Zn\n0.390958 0.132718 0.093103 Zn\n0.609042 0.867282 0.906897 Zn\n0.109042 0.367282 0.593103 Zn\n0.632718 0.890958 0.406897 Zn\n0.890958 0.632718 0.406897 Zn\n0.367282 0.109042 0.593103 Zn\n0.867282 0.609042 0.906897 Zn\n0.132718 0.390958 0.093103 Zn\n0.297352 0.930067 0.158239 Zn\n0.702648 0.069933 0.841761 Zn\n0.202648 0.569933 0.658239 Zn\n0.430067 0.797352 0.341761 Zn\n0.797352 0.430067 0.341761 Zn\n0.569933 0.202648 0.658239 Zn\n0.069933 0.702648 0.841761 Zn\n0.930067 0.297352 0.158239 Zn\n0.579538 0.219838 0.288339 Zn\n0.420462 0.780162 0.711661 Zn\n0.920462 0.280162 0.788339 Zn\n0.719838 0.079538 0.211661 Zn\n0.079538 0.719838 0.211661 Zn\n0.280162 0.920462 0.788339 Zn\n0.780162 0.420462 0.711661 Zn\n0.219838 0.579538 0.288339 Zn\n0.481336 0.481336 0.113801 Zn\n0.518664 0.518664 0.886199 Zn\n0.018664 0.018664 0.613801 Zn\n0.981336 0.981336 0.386199 Zn\n0.456724 0.456724 0.345442 Zn\n0.543276 0.543276 0.654558 Zn\n0.043276 0.043276 0.845442 Zn\n0.956724 0.956724 0.154558 Zn\n0.278407 0.918643 0.276646 Zn\n0.721593 0.081357 0.723354 Zn\n0.221593 0.581357 0.776646 Zn\n0.418643 0.778407 0.223354 Zn\n0.778407 0.418643 0.223354 Zn\n0.581357 0.221593 0.776646 Zn\n0.081357 0.721593 0.723354 Zn\n0.918643 0.278407 0.276646 Zn\n0.588701 0.230573 0.155203 Zn\n0.411299 0.769427 0.844797 Zn\n0.911299 0.269427 0.655203 Zn\n0.730573 0.088701 0.344797 Zn\n0.088701 0.730573 0.344797 Zn\n0.269427 0.911299 0.655203 Zn\n0.769427 0.411299 0.844797 Zn\n0.230573 0.588701 0.155203 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.045843 0.045843 0.227153 Zn\n0.954157 0.954157 0.772847 Zn\n0.454157 0.454157 0.727153 Zn\n0.545843 0.545843 0.272847 Zn\n0.493034 0.493034 0.193134 Zn\n0.506966 0.506966 0.806866 Zn\n0.006966 0.006966 0.693134 Zn\n0.993034 0.993034 0.306866 Zn\n0.245921 0.245921 0.156187 Pd\n0.754079 0.754079 0.843813 Pd\n0.254079 0.254079 0.656187 Pd\n0.745921 0.745921 0.343813 Pd\n0.257655 0.257655 0.280741 Pd\n0.742345 0.742345 0.719259 Pd\n0.242345 0.242345 0.780741 Pd\n0.757655 0.757655 0.219258 Pd\n0.256756 0.256756 0.031593 Pd\n0.743244 0.743244 0.968407 Pd\n0.243244 0.243244 0.531593 Pd\n0.756756 0.756756 0.468407 Pd\n0.253806 0.253806 0.406437 Pd\n0.746194 0.746194 0.593563 Pd\n0.246194 0.246194 0.906437 Pd\n0.753806 0.753806 0.093563 Pd\n",
"nsites": 138,
"nelements": 2,
"elements": [
"Zn",
"Pd"
],
"chemical_system": "Pd-Zn",
"density": 7.727872695477203,
"density_atomic": 0.06632803781557595,
"volume": 2080.568105809293,
"volume_molar": 9.079328981123286,
"formula_full": "Zn122 Pd16",
"formula_reduced": "Zn61Pd8",
"formula_anonymous": "A8B61",
"energy": -261.7167136,
"energy_per_atom": -1.8964979246376812,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -261.7167136,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.265000Z",
"spacegroup": 64
},
{
"id": "mp-1199499",
"created_at": "2022-09-04T14:44:04.092492Z",
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{
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"elements": [
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],
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"density_atomic": 0.07438704980271851,
"volume": 1855.1616224327895,
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"formula_full": "Zn106 Ni32",
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"energy": -345.1592597,
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"updated_at": "2021-11-28T01:37:28.032000Z",
"spacegroup": 64
},
{
"id": "mp-1201326",
"created_at": "2022-09-04T14:44:02.026290Z",
"structure_string": "Si8 Te4 H88 Pt2 C32 Cl4\n1.0\n3.442701 12.629466 0.000000\n-3.442701 12.629466 0.000000\n0.000000 1.938567 20.873463\nSi Te H Pt C Cl\n8 4 88 2 32 4\ndirect\n0.392227 0.933073 0.358429 Si\n0.066927 0.607773 0.141571 Si\n0.607773 0.066927 0.641571 Si\n0.933073 0.392227 0.858429 Si\n0.395125 0.755873 0.612892 Si\n0.244127 0.604875 0.887108 Si\n0.604875 0.244127 0.387108 Si\n0.755873 0.395125 0.112892 Si\n0.698842 0.626746 0.494063 Te\n0.373254 0.301158 0.005937 Te\n0.301158 0.373254 0.505937 Te\n0.626746 0.698842 0.994063 Te\n0.321034 0.016473 0.474439 H\n0.983527 0.678966 0.025561 H\n0.678966 0.983527 0.525561 H\n0.016473 0.321034 0.974439 H\n0.491604 0.964422 0.439871 H\n0.035578 0.508396 0.060129 H\n0.508396 0.035578 0.560129 H\n0.964422 0.491604 0.939871 H\n0.680224 0.632517 0.620804 H\n0.367483 0.319776 0.879196 H\n0.319776 0.367483 0.379196 H\n0.632517 0.680224 0.120804 H\n0.460163 0.887976 0.592169 H\n0.112024 0.539837 0.907831 H\n0.539837 0.112024 0.407831 H\n0.887976 0.460163 0.092169 H\n0.580397 0.702592 0.268222 H\n0.297408 0.419603 0.231778 H\n0.419603 0.297408 0.731778 H\n0.702592 0.580397 0.768222 H\n0.667281 0.570466 0.342742 H\n0.429534 0.332719 0.157258 H\n0.332719 0.429534 0.657258 H\n0.570466 0.667281 0.842742 H\n0.742607 0.633106 0.314867 H\n0.366894 0.257393 0.185133 H\n0.257393 0.366894 0.685133 H\n0.633106 0.742607 0.814867 H\n0.433613 0.072849 0.304575 H\n0.927151 0.566387 0.195425 H\n0.566387 0.927151 0.695425 H\n0.072849 0.433613 0.804575 H\n0.181902 0.271358 0.334412 H\n0.728642 0.818098 0.165588 H\n0.818098 0.728642 0.665588 H\n0.271358 0.181902 0.834412 H\n0.262769 0.146269 0.263356 H\n0.853731 0.737231 0.236644 H\n0.737231 0.853731 0.736644 H\n0.146269 0.262769 0.763356 H\n0.134520 0.045686 0.314302 H\n0.954314 0.865480 0.185698 H\n0.865480 0.954314 0.685698 H\n0.045686 0.134520 0.814302 H\n0.051168 0.156270 0.389702 H\n0.843730 0.948832 0.110298 H\n0.948832 0.843730 0.610298 H\n0.156270 0.051168 0.889702 H\n0.230726 0.900756 0.385929 H\n0.099244 0.769274 0.114071 H\n0.769274 0.099244 0.614071 H\n0.900756 0.230726 0.885929 H\n0.656889 0.431122 0.674619 H\n0.568878 0.343111 0.825381 H\n0.343111 0.568878 0.325381 H\n0.431122 0.656889 0.174619 H\n0.668198 0.395450 0.592666 H\n0.604550 0.331802 0.907334 H\n0.331802 0.604550 0.407334 H\n0.395450 0.668198 0.092666 H\n0.476549 0.503388 0.644864 H\n0.496612 0.523451 0.855136 H\n0.523451 0.496612 0.355136 H\n0.503388 0.476549 0.144864 H\n0.129117 0.886935 0.563566 H\n0.113065 0.870883 0.936434 H\n0.870883 0.113065 0.436434 H\n0.886935 0.129117 0.063566 H\n0.302771 0.790792 0.504023 H\n0.209208 0.697229 0.995977 H\n0.697229 0.209208 0.495977 H\n0.790791 0.302771 0.004023 H\n0.116546 0.030592 0.537368 H\n0.969408 0.883454 0.962632 H\n0.883454 0.969408 0.462632 H\n0.030592 0.116546 0.037368 H\n0.145042 0.929312 0.700381 H\n0.070688 0.854958 0.799619 H\n0.854958 0.070688 0.299619 H\n0.929312 0.145042 0.200381 H\n0.140888 0.066731 0.675757 H\n0.933269 0.859112 0.824243 H\n0.859112 0.933269 0.324243 H\n0.066731 0.140888 0.175757 H\n0.333779 0.849049 0.726628 H\n0.150951 0.666221 0.773372 H\n0.666221 0.150951 0.273372 H\n0.849049 0.333779 0.226628 H\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.453672 0.915387 0.442232 C\n0.084613 0.546328 0.057768 C\n0.546328 0.084613 0.557768 C\n0.915387 0.453672 0.942232 C\n0.551856 0.740002 0.588599 C\n0.259998 0.448144 0.911401 C\n0.448144 0.259998 0.411401 C\n0.740002 0.551856 0.088599 C\n0.617386 0.685875 0.317410 C\n0.314125 0.382614 0.182590 C\n0.382614 0.314125 0.682590 C\n0.685875 0.617386 0.817410 C\n0.308919 0.125146 0.311232 C\n0.874854 0.691081 0.188768 C\n0.691081 0.874854 0.688768 C\n0.125146 0.308919 0.811232 C\n0.182721 0.016423 0.362965 C\n0.983577 0.817279 0.137035 C\n0.817279 0.983577 0.637035 C\n0.016423 0.182721 0.862965 C\n0.565709 0.496958 0.632971 C\n0.503042 0.434291 0.867029 C\n0.434291 0.503042 0.367029 C\n0.496958 0.565709 0.132971 C\n0.220354 0.876613 0.548279 C\n0.123387 0.779646 0.951721 C\n0.779646 0.123387 0.451721 C\n0.876613 0.220354 0.048279 C\n0.240247 0.915031 0.686069 C\n0.084969 0.759753 0.813931 C\n0.759753 0.084969 0.313931 C\n0.915031 0.240247 0.186069 C\n0.902123 0.677653 0.405729 Cl\n0.322347 0.097877 0.094271 Cl\n0.097877 0.322347 0.594271 Cl\n0.677653 0.902123 0.905729 Cl\n",
"nsites": 138,
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"elements": [
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"H",
"Pt",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Pt-Si-Te",
"density": 1.5919000137267088,
"density_atomic": 0.07602742659198161,
"volume": 1815.1344348482057,
"volume_molar": 7.921010916651409,
"formula_full": "Si8 Te4 H88 Pt2 C32 Cl4",
"formula_reduced": "Si4Te2H44Pt(C8Cl)2",
"formula_anonymous": "AB2C2D4E16F44",
"energy": -699.74643015,
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"updated_at": "2021-11-28T01:36:22.266000Z",
"spacegroup": 15
},
{
"id": "mp-567285",
"created_at": "2022-09-04T14:47:57.310312Z",
"structure_string": "Ho12 Ni90 B36\n1.0\n9.567798 0.000000 -0.729940\n0.000000 10.665760 0.000000\n-0.033915 0.000000 14.231697\nHo Ni B\n12 90 36\ndirect\n0.339682 0.612739 0.687149 Ho\n0.063910 0.650375 0.361490 Ho\n0.160318 0.112739 0.312851 Ho\n0.563910 0.849625 0.361490 Ho\n0.660318 0.387261 0.312851 Ho\n0.792370 0.625291 0.973762 Ho\n0.292370 0.874709 0.973762 Ho\n0.936090 0.349625 0.638510 Ho\n0.207630 0.374709 0.026238 Ho\n0.839682 0.887261 0.687149 Ho\n0.707630 0.125291 0.026238 Ho\n0.436090 0.150375 0.638510 Ho\n0.434526 0.425980 0.157199 Ni\n0.130637 0.385526 0.338382 Ni\n0.297596 0.278910 0.471297 Ni\n0.932754 0.684048 0.152001 Ni\n0.065474 0.925980 0.842801 Ni\n0.075267 0.565803 0.566929 Ni\n0.036826 0.765921 0.990889 Ni\n0.662262 0.976072 0.185492 Ni\n0.869363 0.614474 0.661618 Ni\n0.202404 0.778910 0.528703 Ni\n0.792998 0.876532 0.031140 Ni\n0.292475 0.533337 0.484226 Ni\n0.174778 0.211414 0.711846 Ni\n0.948019 0.756972 0.536237 Ni\n0.597532 0.740280 0.687031 Ni\n0.442228 0.379796 0.746931 Ni\n0.292998 0.623468 0.031140 Ni\n0.560885 0.207559 0.179290 Ni\n0.270072 0.881581 0.386851 Ni\n0.557772 0.620204 0.253069 Ni\n0.444120 0.042465 0.073674 Ni\n0.770072 0.618419 0.386851 Ni\n0.146797 0.989551 0.690870 Ni\n0.179084 0.750963 0.144078 Ni\n0.551981 0.256972 0.463763 Ni\n0.983204 0.086283 0.572528 Ni\n0.555880 0.957535 0.926326 Ni\n0.963174 0.234079 0.009111 Ni\n0.575267 0.934197 0.566929 Ni\n0.301987 0.485046 0.867565 Ni\n0.424733 0.065803 0.433071 Ni\n0.051981 0.243028 0.463763 Ni\n0.934526 0.074020 0.157199 Ni\n0.729928 0.118419 0.613149 Ni\n0.584191 0.971529 0.750754 Ni\n0.820916 0.249037 0.855922 Ni\n0.924733 0.434197 0.433071 Ni\n0.060885 0.292441 0.179290 Ni\n0.679084 0.749037 0.144078 Ni\n0.707525 0.466663 0.515774 Ni\n0.207525 0.033337 0.515774 Ni\n0.792475 0.966663 0.484226 Ni\n0.207002 0.123468 0.968860 Ni\n0.320916 0.250963 0.855922 Ni\n0.565474 0.574020 0.842801 Ni\n0.448019 0.743028 0.536237 Ni\n0.500000 0.500000 0.000000 Ni\n0.198895 0.701286 0.850219 Ni\n0.337738 0.023928 0.814508 Ni\n0.646797 0.510449 0.690870 Ni\n0.432754 0.815952 0.152001 Ni\n0.162262 0.523928 0.185492 Ni\n0.674778 0.288586 0.711846 Ni\n0.016796 0.913717 0.427472 Ni\n0.229928 0.381581 0.613149 Ni\n0.325222 0.711414 0.288154 Ni\n0.439115 0.792441 0.820710 Ni\n0.837738 0.476072 0.814508 Ni\n0.801987 0.014954 0.867565 Ni\n0.402468 0.259720 0.312969 Ni\n0.057772 0.879796 0.253069 Ni\n0.698895 0.798714 0.850219 Ni\n0.702404 0.721090 0.528703 Ni\n0.944120 0.457535 0.073674 Ni\n0.939115 0.707559 0.820710 Ni\n0.825222 0.788586 0.288154 Ni\n0.353203 0.489551 0.309130 Ni\n0.301105 0.201286 0.149781 Ni\n0.698013 0.514954 0.132435 Ni\n0.902468 0.240280 0.312969 Ni\n0.415809 0.028471 0.249246 Ni\n0.198013 0.985046 0.132435 Ni\n0.483204 0.413717 0.572528 Ni\n0.797596 0.221090 0.471297 Ni\n0.369363 0.885526 0.661618 Ni\n0.084191 0.528471 0.750754 Ni\n0.567246 0.184048 0.847999 Ni\n0.463174 0.265921 0.009111 Ni\n0.000000 0.000000 0.000000 Ni\n0.630637 0.114474 0.338382 Ni\n0.536826 0.734079 0.990889 Ni\n0.067246 0.315952 0.847999 Ni\n0.055880 0.542465 0.926326 Ni\n0.097532 0.759720 0.687031 Ni\n0.915809 0.471529 0.249246 Ni\n0.853203 0.010449 0.309130 Ni\n0.942228 0.120204 0.746931 Ni\n0.707002 0.376532 0.968860 Ni\n0.801105 0.298714 0.149781 Ni\n0.516796 0.586283 0.427472 Ni\n0.106903 0.146906 0.096191 B\n0.491554 0.374025 0.890068 B\n0.331399 0.696873 0.423510 B\n0.642552 0.388885 0.823805 B\n0.991554 0.125975 0.890068 B\n0.008446 0.874025 0.109932 B\n0.606903 0.353094 0.096191 B\n0.857448 0.888885 0.176195 B\n0.668601 0.303127 0.576490 B\n0.893097 0.853094 0.903809 B\n0.219634 0.384266 0.755868 B\n0.076985 0.604154 0.062983 B\n0.372171 0.922360 0.518946 B\n0.576985 0.895846 0.062983 B\n0.508446 0.625975 0.109932 B\n0.168601 0.196873 0.576490 B\n0.256207 0.353260 0.226619 B\n0.872171 0.577640 0.518946 B\n0.243793 0.853260 0.773381 B\n0.357448 0.611115 0.176195 B\n0.127829 0.422360 0.481054 B\n0.719634 0.115734 0.755868 B\n0.831399 0.803127 0.423510 B\n0.393097 0.646906 0.903809 B\n0.432150 0.406658 0.425787 B\n0.142552 0.111115 0.823805 B\n0.923015 0.395846 0.937017 B\n0.067850 0.906658 0.574213 B\n0.932150 0.093342 0.425787 B\n0.627829 0.077640 0.481054 B\n0.280366 0.884266 0.244132 B\n0.567850 0.593342 0.574213 B\n0.756207 0.146740 0.226619 B\n0.780366 0.615734 0.244132 B\n0.423015 0.104154 0.937017 B\n0.743793 0.646740 0.773381 B\n",
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"elements": [
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],
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"density": 8.749283296413111,
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"volume_molar": 6.336556981470992,
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