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{
"id": "mp-680713",
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"structure_string": "Ho16 B48 O96\n1.0\n7.431956 0.000000 0.000000\n0.000000 12.295831 0.000000\n0.000000 0.000000 16.006698\nHo B O\n16 48 96\ndirect\n0.250000 0.934481 0.172165 Ho\n0.750000 0.767313 0.627909 Ho\n0.750000 0.008937 0.120992 Ho\n0.250000 0.588970 0.048276 Ho\n0.750000 0.411030 0.951724 Ho\n0.250000 0.911030 0.548276 Ho\n0.250000 0.508937 0.379008 Ho\n0.750000 0.732687 0.127909 Ho\n0.750000 0.065519 0.827835 Ho\n0.250000 0.267313 0.872091 Ho\n0.750000 0.088970 0.451724 Ho\n0.750000 0.491063 0.620992 Ho\n0.250000 0.232687 0.372091 Ho\n0.250000 0.565519 0.672165 Ho\n0.750000 0.434481 0.327835 Ho\n0.250000 0.991063 0.879008 Ho\n0.568710 0.128696 0.258005 B\n0.577704 0.483064 0.152598 B\n0.422296 0.983064 0.347402 B\n0.422296 0.516936 0.847402 B\n0.423395 0.143052 0.109681 B\n0.070360 0.314611 0.217757 B\n0.929640 0.814611 0.282243 B\n0.570360 0.685389 0.782243 B\n0.439801 0.822365 0.031942 B\n0.560199 0.322365 0.468058 B\n0.060199 0.822365 0.031942 B\n0.922296 0.483064 0.152598 B\n0.923395 0.643052 0.390319 B\n0.922296 0.016936 0.652598 B\n0.939801 0.322365 0.468058 B\n0.423395 0.356948 0.609681 B\n0.926504 0.846018 0.443078 B\n0.576605 0.856948 0.890319 B\n0.577704 0.016936 0.652598 B\n0.429640 0.314611 0.217757 B\n0.068710 0.871304 0.741995 B\n0.939801 0.177635 0.968058 B\n0.568710 0.371304 0.758005 B\n0.931290 0.371304 0.758005 B\n0.070360 0.185389 0.717757 B\n0.926504 0.653982 0.943078 B\n0.576605 0.643052 0.390319 B\n0.426504 0.153982 0.556922 B\n0.073496 0.346018 0.056922 B\n0.931290 0.128696 0.258005 B\n0.426504 0.346018 0.056922 B\n0.923395 0.856948 0.890319 B\n0.076605 0.143052 0.109681 B\n0.429640 0.185389 0.717757 B\n0.929640 0.685389 0.782243 B\n0.076605 0.356948 0.609681 B\n0.573496 0.653982 0.943078 B\n0.439801 0.677635 0.531942 B\n0.573496 0.846018 0.443078 B\n0.068710 0.628696 0.241995 B\n0.431290 0.871304 0.741995 B\n0.560199 0.177635 0.968058 B\n0.431290 0.628696 0.241995 B\n0.077704 0.983064 0.347402 B\n0.060199 0.677635 0.531942 B\n0.570360 0.814611 0.282243 B\n0.077704 0.516936 0.847402 B\n0.073496 0.153982 0.556922 B\n0.565783 0.377308 0.548564 O\n0.521289 0.730353 0.223139 O\n0.750000 0.643392 0.754645 O\n0.434704 0.600766 0.781722 O\n0.565296 0.100766 0.718278 O\n0.074129 0.234546 0.629068 O\n0.065772 0.564862 0.163919 O\n0.465543 0.077091 0.185257 O\n0.934704 0.100766 0.718278 O\n0.021289 0.230353 0.276861 O\n0.021289 0.269647 0.776861 O\n0.940288 0.068579 0.569409 O\n0.934217 0.122692 0.048564 O\n0.434228 0.935138 0.663919 O\n0.750000 0.856608 0.254645 O\n0.976205 0.790500 0.521900 O\n0.065783 0.877308 0.951436 O\n0.559712 0.431421 0.069409 O\n0.425871 0.234546 0.629068 O\n0.250000 0.399007 0.048735 O\n0.034457 0.077091 0.185257 O\n0.750000 0.541568 0.158764 O\n0.523795 0.790500 0.521900 O\n0.925871 0.765454 0.370932 O\n0.250000 0.041568 0.341236 O\n0.434704 0.899234 0.281722 O\n0.565772 0.064862 0.336081 O\n0.040791 0.378215 0.403469 O\n0.425871 0.265454 0.129068 O\n0.959209 0.621785 0.596531 O\n0.934704 0.399234 0.218278 O\n0.750000 0.605240 0.422148 O\n0.750000 0.302116 0.434420 O\n0.459209 0.378215 0.403469 O\n0.040791 0.121785 0.903469 O\n0.434217 0.877308 0.951436 O\n0.250000 0.100993 0.548735 O\n0.250000 0.860571 0.775992 O\n0.023795 0.290500 0.978100 O\n0.750000 0.197884 0.934420 O\n0.925871 0.734546 0.870932 O\n0.476205 0.209500 0.478100 O\n0.459209 0.121785 0.903469 O\n0.440288 0.931421 0.430591 O\n0.559712 0.068579 0.569409 O\n0.059712 0.931421 0.430591 O\n0.934217 0.377308 0.548564 O\n0.523795 0.709500 0.021900 O\n0.250000 0.105240 0.077852 O\n0.065772 0.935138 0.663919 O\n0.574129 0.734546 0.870932 O\n0.750000 0.360571 0.724008 O\n0.440288 0.568579 0.930591 O\n0.565296 0.399234 0.218278 O\n0.565783 0.122692 0.048564 O\n0.750000 0.139429 0.224008 O\n0.965543 0.922909 0.814743 O\n0.250000 0.394760 0.577852 O\n0.250000 0.639429 0.275992 O\n0.750000 0.899007 0.451265 O\n0.250000 0.802116 0.065580 O\n0.074129 0.265454 0.129068 O\n0.534457 0.577091 0.314743 O\n0.940288 0.431421 0.069409 O\n0.750000 0.894760 0.922148 O\n0.059712 0.568579 0.930591 O\n0.978711 0.730353 0.223139 O\n0.034457 0.422909 0.685257 O\n0.434228 0.564862 0.163919 O\n0.521289 0.769647 0.723139 O\n0.565772 0.435138 0.836081 O\n0.250000 0.356608 0.245355 O\n0.965543 0.577091 0.314743 O\n0.976205 0.709500 0.021900 O\n0.023795 0.209500 0.478100 O\n0.065296 0.600766 0.781722 O\n0.250000 0.458432 0.841236 O\n0.959209 0.878215 0.096531 O\n0.750000 0.958432 0.658764 O\n0.978711 0.769647 0.723139 O\n0.934228 0.064862 0.336081 O\n0.065783 0.622692 0.451436 O\n0.540791 0.878215 0.096531 O\n0.465543 0.422909 0.685257 O\n0.934228 0.435138 0.836081 O\n0.540791 0.621785 0.596531 O\n0.250000 0.143392 0.745355 O\n0.534457 0.922909 0.814743 O\n0.250000 0.697884 0.565580 O\n0.065296 0.899234 0.281722 O\n0.478711 0.230353 0.276861 O\n0.434217 0.622692 0.451436 O\n0.750000 0.600993 0.951265 O\n0.574129 0.765454 0.370932 O\n0.476205 0.290500 0.978100 O\n0.478711 0.269647 0.776861 O\n",
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"elements": [
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"B",
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],
"chemical_system": "B-Ho-O",
"density": 5.328522405364373,
"density_atomic": 0.10938486026304958,
"volume": 1462.7252767451614,
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"formula_full": "Ho16 B48 O96",
"formula_reduced": "Ho(BO2)3",
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"updated_at": "2021-11-28T01:34:34.393000Z",
"spacegroup": 62
},
{
"id": "mp-707478",
"created_at": "2022-09-04T14:46:01.769542Z",
"structure_string": "H24 Os20 Pt4 C64 O64\n1.0\n15.689525 0.000000 0.000000\n0.000000 11.944163 0.000000\n0.000000 5.571705 15.516714\nH Os Pt C O\n24 20 4 64 64\ndirect\n0.699830 0.823784 0.249069 H\n0.800170 0.323784 0.749069 H\n0.300170 0.176216 0.750931 H\n0.199830 0.676216 0.250931 H\n0.560505 0.777159 0.335608 H\n0.939495 0.277159 0.835608 H\n0.439495 0.222841 0.664392 H\n0.060505 0.722841 0.164392 H\n0.561746 0.859300 0.163774 H\n0.938254 0.359300 0.663774 H\n0.438254 0.140700 0.836226 H\n0.061746 0.640700 0.336226 H\n0.704948 0.153886 0.277091 H\n0.795052 0.653886 0.777091 H\n0.295052 0.846114 0.722909 H\n0.204948 0.346114 0.222909 H\n0.575756 0.115296 0.353492 H\n0.924244 0.615296 0.853492 H\n0.424244 0.884704 0.646508 H\n0.075756 0.384704 0.146508 H\n0.551366 0.173567 0.165556 H\n0.948634 0.673567 0.665556 H\n0.448634 0.826433 0.834444 H\n0.051366 0.326433 0.334444 H\n0.661346 0.945535 0.155556 Os\n0.838654 0.445535 0.655556 Os\n0.338654 0.054465 0.844444 Os\n0.161346 0.554465 0.344444 Os\n0.660953 0.845733 0.346090 Os\n0.839047 0.345733 0.846090 Os\n0.339047 0.154267 0.653910 Os\n0.160953 0.654267 0.153910 Os\n0.502907 0.894499 0.248271 Os\n0.997093 0.394499 0.748271 Os\n0.497093 0.105501 0.751729 Os\n0.002907 0.605501 0.251729 Os\n0.648720 0.236623 0.333771 Os\n0.851280 0.736623 0.833771 Os\n0.351280 0.763377 0.666229 Os\n0.148720 0.263377 0.166229 Os\n0.550221 0.320601 0.173563 Os\n0.949779 0.820601 0.673563 Os\n0.449779 0.679399 0.826437 Os\n0.050221 0.179399 0.326437 Os\n0.608619 0.072941 0.257090 Pt\n0.891381 0.572941 0.757090 Pt\n0.391381 0.927059 0.742910 Pt\n0.108619 0.427059 0.242910 Pt\n0.619289 0.064264 0.054469 C\n0.880711 0.564264 0.554469 C\n0.380711 0.935736 0.945531 C\n0.119289 0.435736 0.445531 C\n0.706096 0.846563 0.094824 C\n0.793904 0.346563 0.594824 C\n0.293904 0.153437 0.905176 C\n0.206096 0.653437 0.405176 C\n0.767511 0.027760 0.145936 C\n0.732489 0.527760 0.645936 C\n0.232489 0.972240 0.854064 C\n0.267511 0.472240 0.354064 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C\n0.778318 0.872837 0.793789 C\n0.278318 0.627163 0.706211 C\n0.221682 0.127163 0.206211 C\n0.487564 0.352904 0.067954 C\n0.012436 0.852904 0.567954 C\n0.512436 0.647096 0.932046 C\n0.987564 0.147096 0.432046 C\n0.451106 0.266874 0.248785 C\n0.048894 0.766874 0.748785 C\n0.548894 0.733126 0.751215 C\n0.951106 0.233126 0.251215 C\n0.553310 0.475107 0.187007 C\n0.946690 0.975107 0.687007 C\n0.446690 0.524893 0.812993 C\n0.053310 0.024893 0.312993 C\n0.662315 0.335275 0.119120 C\n0.837685 0.835275 0.619120 C\n0.337685 0.664725 0.880880 C\n0.162315 0.164725 0.380880 C\n0.593508 0.137279 0.993087 O\n0.906492 0.637279 0.493087 O\n0.406492 0.862721 0.006913 O\n0.093508 0.362721 0.506913 O\n0.737659 0.790247 0.057921 O\n0.762341 0.290247 0.557921 O\n0.262341 0.209753 0.942079 O\n0.237659 0.709753 0.442079 O\n0.831185 0.079423 0.138041 O\n0.668815 0.579423 0.638041 O\n0.168815 0.920577 0.861959 O\n0.331185 0.420577 0.361959 O\n0.713375 0.582768 0.427602 O\n0.786625 0.082768 0.927602 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O\n0.263329 0.041251 0.231490 O\n0.450518 0.370540 0.003803 O\n0.049482 0.870540 0.503803 O\n0.549482 0.629460 0.996197 O\n0.950518 0.129460 0.496197 O\n0.391743 0.231972 0.291370 O\n0.108257 0.731972 0.791370 O\n0.608257 0.768028 0.708630 O\n0.891743 0.268028 0.208630 O\n0.555159 0.568262 0.194596 O\n0.944841 0.068262 0.694596 O\n0.444841 0.431738 0.805404 O\n0.055159 0.931738 0.305404 O\n0.727702 0.338443 0.085937 O\n0.772298 0.838443 0.585937 O\n0.272298 0.661557 0.914063 O\n0.227702 0.161557 0.414063 O\n",
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"elements": [
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"Pt",
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],
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"density": 3.6558140095177576,
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"volume": 2907.8049561350044,
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"formula_full": "H24 Os20 Pt4 C64 O64",
"formula_reduced": "H6Os5Pt(CO)16",
"formula_anonymous": "AB5C6D16E16",
"energy": -1380.79181469,
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"total_magnetization": 6.7e-06,
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"updated_at": "2021-11-28T01:37:18.878000Z",
"spacegroup": 14
},
{
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"elements": [
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"updated_at": "2021-11-28T01:36:12.650000Z",
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},
{
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"elements": [
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"updated_at": "2021-11-28T01:35:14.909000Z",
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},
{
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"created_at": "2022-09-04T14:43:11.486889Z",
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"elements": [
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"density_atomic": 0.08039852244997062,
"volume": 1840.8298497288379,
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"updated_at": "2021-11-28T01:36:03.779000Z",
"spacegroup": 70
},
{
"id": "mp-1204347",
"created_at": "2022-09-04T14:42:17.373772Z",
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"updated_at": "2021-11-28T01:35:42.641000Z",
"spacegroup": 73
}
]
}