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{
"id": "mp-756580",
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"structure_string": "Sr2 Lu4 O8\n1.0\n1.656307 -5.473285 0.000000\n1.656307 5.473285 0.000000\n0.000000 0.000000 11.024856\nSr Lu O\n2 4 8\ndirect\n0.389298 0.610702 0.250000 Sr\n0.610702 0.389298 0.750000 Sr\n0.866034 0.133966 0.928256 Lu\n0.866034 0.133966 0.571744 Lu\n0.133966 0.866034 0.071744 Lu\n0.133966 0.866034 0.428256 Lu\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.946139 0.053861 0.750000 O\n0.763846 0.236154 0.106844 O\n0.763846 0.236154 0.393156 O\n0.236154 0.763846 0.606844 O\n0.236154 0.763846 0.893156 O\n0.053861 0.946139 0.250000 O\n",
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{
"id": "mp-20487",
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"structure_string": "La3 Ga1\n1.0\n4.932381 0.000000 0.000000\n0.000000 4.932381 0.000000\n0.000000 0.000000 4.932381\nLa Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Ga\n",
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{
"id": "mp-1173761",
"created_at": "2022-09-04T14:47:57.156069Z",
"structure_string": "Na24 Ce12 O36\n1.0\n5.189399 5.619753 0.000000\n-5.189399 5.619753 0.000000\n0.000000 2.969097 18.139448\nNa Ce O\n24 12 36\ndirect\n0.669299 0.825605 0.334347 Na\n0.671452 0.817639 0.995628 Na\n0.085822 0.914178 0.250000 Na\n0.660922 0.836863 0.665440 Na\n0.836863 0.660922 0.165440 Na\n0.490458 0.005606 0.168279 Na\n0.825605 0.669299 0.834347 Na\n0.583398 0.417955 0.418070 Na\n0.509542 0.994394 0.831721 Na\n0.817639 0.671452 0.495628 Na\n0.582045 0.416602 0.081930 Na\n0.500000 0.000000 0.500000 Na\n0.994394 0.509542 0.331721 Na\n0.000000 0.500000 0.000000 Na\n0.005606 0.490458 0.668279 Na\n0.417955 0.583398 0.918070 Na\n0.182361 0.328548 0.504372 Na\n0.416602 0.582045 0.581930 Na\n0.174395 0.330701 0.165653 Na\n0.163137 0.339078 0.834560 Na\n0.339078 0.163137 0.334560 Na\n0.914178 0.085822 0.750000 Na\n0.328548 0.182361 0.004372 Na\n0.330701 0.174395 0.665653 Na\n0.085460 0.916936 0.913870 Ce\n0.083064 0.914540 0.586130 Ce\n0.262072 0.739132 0.419340 Ce\n0.260868 0.737928 0.080660 Ce\n0.249588 0.750412 0.750000 Ce\n0.585393 0.414607 0.750000 Ce\n0.414607 0.585393 0.250000 Ce\n0.750412 0.249588 0.250000 Ce\n0.739132 0.262072 0.919340 Ce\n0.737928 0.260868 0.580660 Ce\n0.916936 0.085460 0.413870 Ce\n0.914540 0.083064 0.086130 Ce\n0.516261 0.717365 0.455386 O\n0.513955 0.704012 0.133386 O\n0.189170 0.020688 0.461702 O\n0.527614 0.696447 0.780746 O\n0.189024 0.024433 0.116567 O\n0.975567 0.810976 0.383433 O\n0.205159 0.010321 0.800464 O\n0.979312 0.810830 0.038298 O\n0.370256 0.841520 0.300409 O\n0.696447 0.527614 0.280746 O\n0.989679 0.794841 0.699536 O\n0.341430 0.870540 0.963034 O\n0.717365 0.516261 0.955386 O\n0.339598 0.874097 0.634132 O\n0.158480 0.629744 0.199591 O\n0.870540 0.341430 0.463034 O\n0.704012 0.513955 0.633386 O\n0.125903 0.660402 0.865868 O\n0.874097 0.339598 0.134132 O\n0.295988 0.486045 0.366614 O\n0.129460 0.658570 0.536966 O\n0.841520 0.370256 0.800409 O\n0.660402 0.125903 0.365868 O\n0.282635 0.483739 0.044614 O\n0.658570 0.129460 0.036966 O\n0.010321 0.205159 0.300464 O\n0.303553 0.472386 0.719254 O\n0.629744 0.158480 0.699591 O\n0.020688 0.189170 0.961702 O\n0.794841 0.989679 0.199536 O\n0.024433 0.189024 0.616567 O\n0.810976 0.975567 0.883433 O\n0.472386 0.303553 0.219254 O\n0.810830 0.979312 0.538298 O\n0.486045 0.295988 0.866614 O\n0.483739 0.282635 0.544614 O\n",
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"elements": [
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"volume": 1058.0065448044365,
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{
"id": "mp-772242",
"created_at": "2022-09-04T14:47:56.719848Z",
"structure_string": "Li4 V4 P4 O20\n1.0\n6.419029 0.000000 0.000000\n0.000000 7.590138 0.000000\n0.000000 0.000000 8.297624\nLi V P O\n4 4 4 20\ndirect\n0.398298 0.625666 0.752386 Li\n0.101702 0.374334 0.252386 Li\n0.601702 0.125666 0.747614 Li\n0.898298 0.874334 0.247614 Li\n0.879411 0.579479 0.596550 V\n0.620589 0.420521 0.096550 V\n0.120589 0.079479 0.903450 V\n0.379411 0.920521 0.403450 V\n0.896843 0.692799 0.900791 P\n0.603157 0.307201 0.400791 P\n0.103157 0.192799 0.599209 P\n0.396843 0.807201 0.099209 P\n0.893733 0.725691 0.451219 O\n0.709477 0.675235 0.779682 O\n0.428219 0.617970 0.038003 O\n0.864956 0.573981 0.049849 O\n0.076572 0.628223 0.786709 O\n0.423428 0.371777 0.286709 O\n0.635044 0.426019 0.549849 O\n0.071781 0.382030 0.538003 O\n0.790523 0.324765 0.279682 O\n0.606267 0.274309 0.951219 O\n0.106267 0.225691 0.048781 O\n0.290523 0.175235 0.720318 O\n0.571781 0.117970 0.461997 O\n0.135044 0.073981 0.450151 O\n0.923428 0.128223 0.713291 O\n0.576572 0.871777 0.213291 O\n0.364956 0.926019 0.950151 O\n0.928219 0.882030 0.961997 O\n0.209477 0.824765 0.220318 O\n0.393733 0.774309 0.548781 O\n",
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"formula_full": "Li4 V4 P4 O20",
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{
"id": "mp-1028396",
"created_at": "2022-09-04T14:47:56.819245Z",
"structure_string": "K1 Mg14 Ni1\n1.0\n6.497022 0.086470 0.000000\n-3.173626 5.496881 0.000000\n0.000000 0.000000 10.325288\nK Mg Ni\n1 14 1\ndirect\n0.126604 0.813302 0.125000 K\n0.164662 0.332330 0.625000 Mg\n0.172997 0.836498 0.625000 Mg\n0.621551 0.321095 0.125000 Mg\n0.665638 0.326420 0.625000 Mg\n0.621551 0.800455 0.125000 Mg\n0.665638 0.839217 0.625000 Mg\n0.340169 0.179304 0.378166 Mg\n0.340169 0.179304 0.871834 Mg\n0.340169 0.660866 0.378166 Mg\n0.340169 0.660866 0.871834 Mg\n0.859561 0.179781 0.346681 Mg\n0.859561 0.179781 0.903319 Mg\n0.828459 0.664230 0.395018 Mg\n0.828459 0.664230 0.854982 Mg\n0.224643 0.362321 0.125000 Ni\n",
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"formula_full": "K1 Mg14 Ni1",
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{
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"structure_string": "K8 In4 P8 Se32\n1.0\n11.601341 5.697002 0.000000\n-11.601341 5.697002 0.000000\n0.000000 4.254700 12.323892\nK In P Se\n8 4 8 32\ndirect\n0.127595 0.246332 0.071768 K\n0.958210 0.358477 0.346708 K\n0.394077 0.792862 0.322077 K\n0.358477 0.958210 0.846708 K\n0.246332 0.127595 0.571768 K\n0.742181 0.850789 0.017341 K\n0.850789 0.742181 0.517341 K\n0.792862 0.394077 0.822077 K\n0.376662 0.133538 0.190121 In\n0.499868 0.735389 0.683689 In\n0.133538 0.376662 0.690121 In\n0.735389 0.499868 0.183689 In\n0.403118 0.455090 0.204934 P\n0.036988 0.871544 0.133542 P\n0.706758 0.174554 0.169588 P\n0.751515 0.077614 0.742091 P\n0.174554 0.706758 0.669588 P\n0.455090 0.403118 0.704934 P\n0.871544 0.036988 0.633542 P\n0.077614 0.751515 0.242091 P\n0.255792 0.229275 0.286985 Se\n0.131702 0.620914 0.850913 Se\n0.861550 0.399591 0.096397 Se\n0.492069 0.478571 0.522368 Se\n0.879952 0.181579 0.849868 Se\n0.069737 0.533020 0.598872 Se\n0.235367 0.520531 0.842825 Se\n0.244381 0.063287 0.031608 Se\n0.585926 0.395040 0.032311 Se\n0.229275 0.255792 0.786985 Se\n0.181579 0.879952 0.349868 Se\n0.904249 0.916629 0.733707 Se\n0.789046 0.069324 0.186761 Se\n0.478571 0.492069 0.022368 Se\n0.192372 0.713350 0.142943 Se\n0.941094 0.746991 0.022417 Se\n0.867569 0.564889 0.345910 Se\n0.538609 0.298572 0.698153 Se\n0.585271 0.591792 0.756104 Se\n0.564889 0.867569 0.845910 Se\n0.069324 0.789046 0.686761 Se\n0.620914 0.131702 0.350913 Se\n0.298572 0.538609 0.198153 Se\n0.916629 0.904249 0.233707 Se\n0.746991 0.941094 0.522417 Se\n0.063287 0.244381 0.531608 Se\n0.395040 0.585926 0.532311 Se\n0.591792 0.585271 0.256104 Se\n0.520531 0.235367 0.342825 Se\n0.713350 0.192372 0.642943 Se\n0.533020 0.069737 0.098872 Se\n0.399591 0.861550 0.596397 Se\n",
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{
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"structure_string": "Sr2 Gd2 Tl1 Ni2 O9\n1.0\n0.000000 2.706252 14.787032\n2.683671 0.000000 14.787032\n2.683671 2.706252 0.000000\nSr Gd Tl Ni O\n2 2 1 2 9\ndirect\n0.591774 0.578593 0.421407 Sr\n0.421407 0.408226 0.591774 Sr\n0.704065 0.702625 0.297375 Gd\n0.297375 0.295935 0.704065 Gd\n0.043584 0.956416 0.043584 Tl\n0.150100 0.146778 0.853222 Ni\n0.853222 0.849900 0.150100 Ni\n0.653279 0.649107 0.850191 O\n0.152576 0.149809 0.350893 O\n0.350893 0.346721 0.152576 O\n0.850191 0.847424 0.653279 O\n0.221307 0.220505 0.779495 O\n0.779495 0.778693 0.221307 O\n0.479229 0.520771 0.479229 O\n0.071083 0.071580 0.928420 O\n0.928420 0.928917 0.071083 O\n",
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{
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{
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"structure_string": "Rb5 Dy3 I12\n1.0\n7.632233 -13.219416 0.000000\n7.632233 13.219416 0.000000\n0.000000 0.000000 4.582818\nRb Dy I\n5 3 12\ndirect\n0.333333 0.666667 0.000000 Rb\n0.666667 0.333333 0.000000 Rb\n0.717634 0.000000 0.000000 Rb\n0.000000 0.717634 0.000000 Rb\n0.282366 0.282366 0.000000 Rb\n0.322795 0.000000 0.500000 Dy\n0.000000 0.322795 0.500000 Dy\n0.677205 0.677205 0.500000 Dy\n0.182762 0.000000 0.000000 I\n0.000000 0.182762 0.000000 I\n0.817238 0.817238 0.000000 I\n0.459941 0.000000 0.000000 I\n0.000000 0.459941 0.000000 I\n0.540059 0.540059 0.000000 I\n0.233423 0.441382 0.500000 I\n0.558618 0.792041 0.500000 I\n0.441382 0.233423 0.500000 I\n0.207959 0.766577 0.500000 I\n0.792041 0.558618 0.500000 I\n0.766577 0.207959 0.500000 I\n",
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"density": 4.37725198062759,
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},
{
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"created_at": "2022-09-04T14:47:56.901375Z",
"structure_string": "La2 B6 Rh9\n1.0\n-2.848685 -4.934068 0.000217\n-2.849060 4.934284 -0.000108\n0.000162 0.000281 -8.549441\nLa B Rh\n2 6 9\ndirect\n0.000011 0.000000 0.287452 La\n0.999996 0.000000 0.712692 La\n0.333380 0.666779 0.999998 B\n0.666601 0.333221 0.999998 B\n0.333376 0.666769 0.333422 B\n0.666607 0.333231 0.333422 B\n0.666610 0.333230 0.666535 B\n0.333380 0.666770 0.666535 B\n0.499954 0.000000 0.163366 Rh\n0.499962 0.499951 0.163348 Rh\n0.000011 0.500049 0.163348 Rh\n0.500004 0.000000 0.836623 Rh\n0.499998 0.500028 0.836586 Rh\n0.999970 0.499972 0.836586 Rh\n0.500010 0.000000 0.500003 Rh\n0.500022 0.500015 0.500043 Rh\n0.000007 0.499985 0.500043 Rh\n",
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"elements": [
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"chemical_system": "B-La-Rh",
"density": 8.765888735251076,
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"formula_full": "La2 B6 Rh9",
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"updated_at": "2021-11-28T01:38:22.194000Z",
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},
{
"id": "mp-1248784",
"created_at": "2022-09-04T14:47:56.735477Z",
"structure_string": "Si2 Bi13 Sb2 O28\n1.0\n6.030716 -0.249089 1.060433\n1.471142 10.237967 0.356179\n-0.745263 0.024227 12.592640\nSi Bi Sb O\n2 13 2 28\ndirect\n0.262703 0.337906 0.994044 Si\n0.737303 0.660318 0.006565 Si\n0.086326 0.638350 0.565455 Bi\n0.663265 0.360683 0.151003 Bi\n0.328260 0.362640 0.669644 Bi\n0.915217 0.360184 0.434827 Bi\n0.337031 0.637572 0.849726 Bi\n0.289042 0.918342 0.458524 Bi\n0.207082 0.654327 0.139568 Bi\n0.000586 0.999018 0.000048 Bi\n0.453066 0.992734 0.150828 Bi\n0.793724 0.343905 0.860722 Bi\n0.673074 0.635935 0.330834 Bi\n0.547948 0.005609 0.849250 Bi\n0.712034 0.080256 0.541482 Bi\n0.907999 0.999568 0.280191 Sb\n0.093231 0.998889 0.719869 Sb\n0.655806 0.424868 0.311283 O\n0.202392 0.437429 0.524612 O\n0.992571 0.324137 0.002001 O\n0.419649 0.199222 0.985667 O\n0.799167 0.561033 0.475819 O\n0.345187 0.573695 0.689331 O\n0.043782 0.098565 0.582132 O\n0.957343 0.899839 0.417920 O\n0.579748 0.798785 0.014925 O\n0.097213 0.878626 0.163366 O\n0.312937 0.415783 0.101333 O\n0.023656 0.594250 0.273324 O\n0.240816 0.857394 0.627064 O\n0.784070 0.099509 0.153008 O\n0.676732 0.571304 0.115885 O\n0.007229 0.674566 0.998567 O\n0.217629 0.898788 0.846922 O\n0.904336 0.119716 0.836869 O\n0.760443 0.141162 0.372929 O\n0.201452 0.071513 0.278622 O\n0.799782 0.926921 0.721513 O\n0.323650 0.426914 0.884834 O\n0.359959 0.100568 0.724633 O\n0.673199 0.289208 0.556666 O\n0.687165 0.582290 0.899386 O\n0.641197 0.897949 0.275475 O\n0.977777 0.404337 0.727308 O\n0.328253 0.709322 0.443536 O\n",
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"Sb",
"O"
],
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"volume": 790.2556657864692,
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"formula_full": "Si2 Bi13 Sb2 O28",
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"updated_at": "2021-11-28T01:38:17.341000Z",
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}
]
}