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{
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{
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"structure_string": "Sr1 Mg6 Co1 O8\n1.0\n8.673820 0.000000 0.000000\n0.000000 4.500254 0.000000\n0.000000 0.000000 4.500254\nSr Mg Co O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.237972 0.000000 0.500000 Mg\n0.762028 0.000000 0.500000 Mg\n0.237972 0.500000 0.000000 Mg\n0.762028 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Co\n0.227305 0.000000 0.000000 O\n0.772695 0.000000 0.000000 O\n0.248700 0.500000 0.500000 O\n0.751300 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-1191862",
"created_at": "2022-09-04T14:47:55.960956Z",
"structure_string": "Ca4 Zn6 Sn12\n1.0\n3.197427 -13.653551 0.000000\n3.197427 13.653551 0.000000\n0.000000 0.000000 6.393270\nCa Zn Sn\n4 6 12\ndirect\n0.401441 0.598559 0.750000 Ca\n0.598559 0.401441 0.250000 Ca\n0.097087 0.902913 0.750000 Ca\n0.902913 0.097087 0.250000 Ca\n0.719011 0.719011 0.000000 Zn\n0.719011 0.719011 0.500000 Zn\n0.280989 0.280989 0.000000 Zn\n0.280989 0.280989 0.500000 Zn\n0.850566 0.149434 0.750000 Zn\n0.149434 0.850566 0.250000 Zn\n0.465434 0.072154 0.980649 Sn\n0.072154 0.465434 0.019351 Sn\n0.465434 0.072154 0.519351 Sn\n0.072154 0.465434 0.480649 Sn\n0.534566 0.927846 0.019351 Sn\n0.927846 0.534566 0.980649 Sn\n0.534566 0.927846 0.480649 Sn\n0.927846 0.534566 0.519351 Sn\n0.948057 0.051943 0.750000 Sn\n0.051943 0.948057 0.250000 Sn\n0.569466 0.430534 0.750000 Sn\n0.430534 0.569466 0.250000 Sn\n",
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{
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"structure_string": "Li12 Co4 P4 C4 O28\n1.0\n6.390673 0.000000 0.000000\n0.000000 9.448495 0.000000\n0.000000 4.365222 8.827152\nLi Co P C O\n12 4 4 4 28\ndirect\n0.250922 0.098255 0.318627 Li\n0.249078 0.098255 0.818627 Li\n0.012988 0.279226 0.491564 Li\n0.487012 0.279226 0.991564 Li\n0.753133 0.346524 0.686840 Li\n0.746867 0.346524 0.186840 Li\n0.246867 0.653476 0.313160 Li\n0.253133 0.653476 0.813160 Li\n0.987012 0.720774 0.508436 Li\n0.512988 0.720774 0.008436 Li\n0.749078 0.901745 0.681373 Li\n0.750922 0.901745 0.181373 Li\n0.493778 0.275766 0.488562 Co\n0.006222 0.275766 0.988562 Co\n0.506222 0.724234 0.511438 Co\n0.993778 0.724234 0.011438 Co\n0.247576 0.408679 0.685717 P\n0.252424 0.408679 0.185717 P\n0.752424 0.591321 0.314283 P\n0.747576 0.591321 0.814283 P\n0.741429 0.038346 0.378361 C\n0.758571 0.038346 0.878361 C\n0.258571 0.961654 0.621639 C\n0.241429 0.961654 0.121639 C\n0.747579 0.068939 0.739232 O\n0.752421 0.068939 0.239232 O\n0.262584 0.110718 0.515055 O\n0.738479 0.148510 0.422985 O\n0.237416 0.110718 0.015055 O\n0.761521 0.148510 0.922985 O\n0.056653 0.314133 0.678362 O\n0.440959 0.309931 0.679271 O\n0.059041 0.309931 0.179271 O\n0.443347 0.314133 0.178362 O\n0.744665 0.420624 0.445635 O\n0.252082 0.420947 0.338934 O\n0.755335 0.420624 0.945635 O\n0.247918 0.420947 0.838934 O\n0.747918 0.579053 0.661066 O\n0.255335 0.579376 0.554365 O\n0.752082 0.579053 0.161066 O\n0.244665 0.579376 0.054365 O\n0.943347 0.685867 0.321638 O\n0.559041 0.690069 0.320729 O\n0.940959 0.690069 0.820729 O\n0.556653 0.685867 0.821638 O\n0.261521 0.851490 0.577015 O\n0.737416 0.889282 0.484945 O\n0.238479 0.851490 0.077015 O\n0.762584 0.889282 0.984945 O\n0.252421 0.931061 0.260768 O\n0.247579 0.931061 0.760768 O\n",
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"spacegroup": 14
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{
"id": "mp-1201349",
"created_at": "2022-09-04T14:47:55.885235Z",
"structure_string": "Pr4 H32 S6 O40\n1.0\n0.000000 -6.888029 0.000000\n-6.987049 3.444014 0.000000\n4.035506 0.000000 -18.195822\nPr H S O\n4 32 6 40\ndirect\n0.857656 0.660092 0.606891 Pr\n0.197564 0.339908 0.893109 Pr\n0.142344 0.339908 0.393109 Pr\n0.802436 0.660092 0.106891 Pr\n0.691257 0.985846 0.660082 H\n0.705410 0.014154 0.839918 H\n0.308743 0.014154 0.339918 H\n0.294590 0.985847 0.160082 H\n0.941485 0.103349 0.648125 H\n0.838137 0.896651 0.851875 H\n0.058515 0.896651 0.351875 H\n0.161863 0.103349 0.148125 H\n0.795818 0.543054 0.758554 H\n0.252765 0.456946 0.741446 H\n0.204182 0.456946 0.241446 H\n0.747235 0.543054 0.258554 H\n0.637440 0.342980 0.702297 H\n0.294460 0.657020 0.797703 H\n0.362560 0.657020 0.297703 H\n0.705540 0.342980 0.202297 H\n0.497103 0.278113 0.517398 H\n0.218990 0.721887 0.982602 H\n0.502897 0.721887 0.482602 H\n0.781010 0.278113 0.017398 H\n0.701639 0.235441 0.507305 H\n0.466198 0.764559 0.992695 H\n0.298361 0.764559 0.492695 H\n0.533802 0.235441 0.007305 H\n0.320843 0.988485 0.607578 H\n0.332358 0.011515 0.892422 H\n0.679157 0.011515 0.392422 H\n0.667642 0.988485 0.107578 H\n0.186521 0.019607 0.546722 H\n0.166913 0.980393 0.953278 H\n0.813479 0.980393 0.453278 H\n0.833087 0.019607 0.046722 H\n0.324462 0.000000 0.750000 S\n0.675538 0.000000 0.250000 S\n0.751637 0.571694 0.410506 S\n0.179943 0.428306 0.089494 S\n0.248363 0.428306 0.589494 S\n0.820057 0.571694 0.910506 S\n0.816572 0.970611 0.639803 O\n0.845960 0.029389 0.860197 O\n0.183428 0.029389 0.360197 O\n0.154040 0.970611 0.139803 O\n0.744358 0.480542 0.706007 O\n0.263815 0.519458 0.793993 O\n0.255642 0.519458 0.293993 O\n0.736185 0.480542 0.206007 O\n0.636050 0.302266 0.542265 O\n0.333784 0.697734 0.957735 O\n0.363950 0.697734 0.457735 O\n0.666216 0.302266 0.042265 O\n0.207301 0.917923 0.564673 O\n0.289378 0.082077 0.935327 O\n0.792699 0.082077 0.435327 O\n0.710622 0.917923 0.064673 O\n0.116933 0.833642 0.713870 O\n0.283291 0.166358 0.786130 O\n0.883067 0.166358 0.286130 O\n0.716709 0.833642 0.213870 O\n0.480232 0.064005 0.693256 O\n0.416227 0.935995 0.806744 O\n0.519768 0.935995 0.306744 O\n0.583773 0.064005 0.193256 O\n0.764753 0.710993 0.481845 O\n0.053760 0.289007 0.018155 O\n0.235247 0.289007 0.518155 O\n0.946240 0.710993 0.981845 O\n0.900237 0.486942 0.423331 O\n0.413295 0.513058 0.076669 O\n0.099763 0.513058 0.576669 O\n0.586705 0.486942 0.923331 O\n0.525325 0.413193 0.393093 O\n0.112133 0.586807 0.106907 O\n0.474675 0.586807 0.606907 O\n0.887867 0.413193 0.893093 O\n0.815730 0.680722 0.351187 O\n0.135008 0.319278 0.148813 O\n0.184270 0.319278 0.648813 O\n0.864992 0.680722 0.851187 O\n",
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{
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"structure_string": "Li1 Ho2 Os1\n1.0\n0.000000 3.447169 3.447169\n3.447169 0.000000 3.447169\n3.447169 3.447169 0.000000\nLi Ho Os\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.000000 0.000000 0.000000 Os\n",
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{
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"structure_string": "Sr1 La1 Fe1 O4\n1.0\n-1.968579 1.968579 6.302072\n1.968579 -1.968579 6.302072\n1.968579 1.968579 -6.302072\nSr La Fe O\n1 1 1 4\ndirect\n0.642009 0.642009 0.000000 Sr\n0.358317 0.358317 0.000000 La\n0.004177 0.004177 0.000000 Fe\n0.833462 0.833462 0.000000 O\n0.172627 0.172627 0.000000 O\n0.994704 0.494704 0.500000 O\n0.494704 0.994704 0.500000 O\n",
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{
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{
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{
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"density": 3.665195734954733,
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"formula_full": "Ca4 Ti3 Si4 Sn1 O20",
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},
{
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"created_at": "2022-09-04T14:47:55.909705Z",
"structure_string": "Zr2 Zn40 Fe4\n1.0\n0.000000 6.995506 6.995506\n6.995506 0.000000 6.995506\n6.995506 6.995506 0.000000\nZr Zn Fe\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.568459 0.300714 0.300714 Zn\n0.300714 0.568459 0.830114 Zn\n0.300714 0.830114 0.568459 Zn\n0.830114 0.300714 0.300714 Zn\n0.300714 0.300714 0.568459 Zn\n0.568459 0.830114 0.300714 Zn\n0.830114 0.568459 0.300714 Zn\n0.300714 0.300714 0.830114 Zn\n0.300714 0.568459 0.300714 Zn\n0.830114 0.300714 0.568459 Zn\n0.568459 0.300714 0.830114 Zn\n0.300714 0.830114 0.300714 Zn\n0.681541 0.949286 0.949286 Zn\n0.949286 0.681541 0.419886 Zn\n0.949286 0.419886 0.681541 Zn\n0.419886 0.949286 0.949286 Zn\n0.949286 0.949286 0.681541 Zn\n0.681541 0.419886 0.949286 Zn\n0.419886 0.681541 0.949286 Zn\n0.949286 0.949286 0.419886 Zn\n0.949286 0.681541 0.949286 Zn\n0.419886 0.949286 0.681541 Zn\n0.681541 0.949286 0.419886 Zn\n0.949286 0.419886 0.949286 Zn\n0.863732 0.863732 0.136268 Zn\n0.136268 0.136268 0.863732 Zn\n0.863732 0.136268 0.863732 Zn\n0.136268 0.863732 0.136268 Zn\n0.136268 0.863732 0.863732 Zn\n0.863732 0.136268 0.136268 Zn\n0.386268 0.386268 0.113732 Zn\n0.113732 0.113732 0.386268 Zn\n0.386268 0.113732 0.386268 Zn\n0.113732 0.386268 0.113732 Zn\n0.113732 0.386268 0.386268 Zn\n0.386268 0.113732 0.113732 Zn\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.625000 0.125000 0.125000 Fe\n0.125000 0.625000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.125000 0.125000 0.125000 Fe\n",
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{
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"structure_string": "Ho8 Cu8 O20\n1.0\n3.509629 0.000000 0.000000\n0.000000 10.881074 0.000000\n0.000000 0.000000 12.517264\nHo Cu O\n8 8 20\ndirect\n0.277511 0.542672 0.830536 Ho\n0.722489 0.457328 0.330536 Ho\n0.222489 0.042672 0.830536 Ho\n0.777511 0.957328 0.330536 Ho\n0.278828 0.707534 0.502902 Ho\n0.721172 0.292466 0.002902 Ho\n0.221172 0.207534 0.502902 Ho\n0.778828 0.792466 0.002902 Ho\n0.843702 0.761914 0.719435 Cu\n0.156298 0.238086 0.219435 Cu\n0.656298 0.261914 0.719435 Cu\n0.343702 0.738086 0.219435 Cu\n0.839733 0.488477 0.613478 Cu\n0.160267 0.511523 0.113478 Cu\n0.660267 0.988477 0.613478 Cu\n0.339733 0.011523 0.113478 Cu\n0.272605 0.923063 0.974116 O\n0.727395 0.076937 0.474116 O\n0.227395 0.423063 0.974116 O\n0.772605 0.576937 0.474116 O\n0.724592 0.928482 0.764644 O\n0.275408 0.071518 0.264644 O\n0.775408 0.428482 0.764644 O\n0.224592 0.571518 0.264644 O\n0.155251 0.624719 0.666658 O\n0.844749 0.375281 0.166658 O\n0.344749 0.124719 0.666658 O\n0.655251 0.875281 0.166658 O\n0.780992 0.822062 0.567838 O\n0.219008 0.177938 0.067838 O\n0.719008 0.322062 0.567838 O\n0.280992 0.677938 0.067838 O\n0.275032 0.826690 0.358693 O\n0.724968 0.173310 0.858693 O\n0.224968 0.326690 0.358693 O\n0.775032 0.673310 0.858693 O\n",
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}
]
}