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"results": [
{
"id": "mp-1197102",
"created_at": "2022-09-04T14:39:29.750034Z",
"structure_string": "Rb16 W4 S12 O56\n1.0\n14.345977 0.000000 0.000000\n0.000000 9.877201 0.000000\n0.000000 9.786650 11.098541\nRb W S O\n16 4 12 56\ndirect\n0.809688 0.342687 0.845917 Rb\n0.690312 0.342687 0.345917 Rb\n0.190312 0.657313 0.154083 Rb\n0.309688 0.657313 0.654083 Rb\n0.510804 0.288175 0.703330 Rb\n0.989196 0.288175 0.203330 Rb\n0.489196 0.711825 0.296670 Rb\n0.010804 0.711825 0.796670 Rb\n0.513665 0.322309 0.986022 Rb\n0.986335 0.322309 0.486022 Rb\n0.486335 0.677691 0.013978 Rb\n0.013665 0.677691 0.513978 Rb\n0.725978 0.977426 0.753547 Rb\n0.774022 0.977426 0.253547 Rb\n0.274022 0.022574 0.246453 Rb\n0.225978 0.022574 0.746453 Rb\n0.618131 0.751706 0.581478 W\n0.881869 0.751706 0.081478 W\n0.381869 0.248294 0.418522 W\n0.118131 0.248294 0.918522 W\n0.480778 0.881134 0.694996 S\n0.019222 0.881134 0.194996 S\n0.519222 0.118866 0.305004 S\n0.980778 0.118866 0.805004 S\n0.728105 0.518996 0.521119 S\n0.771895 0.518996 0.021119 S\n0.271895 0.481004 0.478881 S\n0.228105 0.481004 0.978881 S\n0.841083 0.910257 0.553596 S\n0.658917 0.910257 0.053596 S\n0.158917 0.089743 0.446404 S\n0.341083 0.089743 0.946404 S\n0.638273 0.556367 0.732984 O\n0.861727 0.556367 0.232984 O\n0.361727 0.443633 0.267016 O\n0.138273 0.443633 0.767016 O\n0.512462 0.690418 0.554584 O\n0.987538 0.690418 0.054584 O\n0.487538 0.309582 0.445416 O\n0.012462 0.309582 0.945416 O\n0.704165 0.690603 0.507108 O\n0.795835 0.690603 0.007108 O\n0.295835 0.309397 0.492892 O\n0.204165 0.309397 0.992892 O\n0.559658 0.904426 0.614105 O\n0.940342 0.904426 0.114105 O\n0.440342 0.095574 0.385895 O\n0.059658 0.095574 0.885895 O\n0.732843 0.906905 0.559809 O\n0.767157 0.906905 0.059809 O\n0.267157 0.093095 0.440191 O\n0.232843 0.093095 0.940191 O\n0.602819 0.020631 0.385628 O\n0.897181 0.020631 0.885628 O\n0.397181 0.979369 0.614372 O\n0.102819 0.979369 0.114372 O\n0.875851 0.722414 0.639846 O\n0.624149 0.722414 0.139846 O\n0.124149 0.277586 0.360154 O\n0.375851 0.277586 0.860154 O\n0.727323 0.360360 0.650750 O\n0.772677 0.360360 0.150750 O\n0.272677 0.639640 0.349250 O\n0.227323 0.639640 0.849250 O\n0.653902 0.511928 0.455891 O\n0.846098 0.511928 0.955891 O\n0.346098 0.488072 0.544109 O\n0.153902 0.488072 0.044109 O\n0.869294 0.013065 0.589629 O\n0.630706 0.013065 0.089629 O\n0.130706 0.986935 0.410371 O\n0.369294 0.986935 0.910371 O\n0.458226 0.689944 0.788752 O\n0.041774 0.689944 0.288752 O\n0.541774 0.310056 0.211248 O\n0.958226 0.310056 0.711248 O\n0.819800 0.563494 0.464014 O\n0.680200 0.563494 0.964014 O\n0.180200 0.436506 0.535986 O\n0.319800 0.436506 0.035986 O\n0.867362 0.002046 0.428458 O\n0.632638 0.002046 0.928458 O\n0.132638 0.997954 0.571542 O\n0.367362 0.997954 0.071542 O\n0.515147 0.964127 0.741466 O\n0.984853 0.964127 0.241466 O\n0.484853 0.035873 0.258534 O\n0.015147 0.035873 0.758534 O\n",
"nsites": 88,
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"elements": [
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"W",
"S",
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],
"chemical_system": "O-Rb-S-W",
"density": 3.5727042908873448,
"density_atomic": 0.055956785689988305,
"volume": 1572.6421543856623,
"volume_molar": 10.762127748659216,
"formula_full": "Rb16 W4 S12 O56",
"formula_reduced": "Rb4WS3O14",
"formula_anonymous": "AB3C4D14",
"energy": -585.5069857100001,
"energy_per_atom": -6.653488473977274,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.944000Z",
"spacegroup": 14
},
{
"id": "mp-581258",
"created_at": "2022-09-04T14:39:29.751121Z",
"structure_string": "Zn12 S12\n1.0\n3.850251 -0.001774 37.641939\n1.918587 3.338182 37.641939\n-0.003068 -0.001774 37.838341\nZn S\n12 12\ndirect\n0.083339 0.083339 0.083339 Zn\n0.611125 0.611125 0.611125 Zn\n0.500011 0.500011 0.500011 Zn\n0.194454 0.194454 0.194454 Zn\n0.916671 0.916671 0.916671 Zn\n0.361127 0.361127 0.361127 Zn\n0.000002 0.000002 0.000002 Zn\n0.805550 0.805550 0.805550 Zn\n0.722221 0.722221 0.722221 Zn\n0.555563 0.555563 0.555563 Zn\n0.305554 0.305554 0.305554 Zn\n0.444453 0.444453 0.444453 Zn\n0.937511 0.937511 0.937511 S\n0.104164 0.104164 0.104164 S\n0.520816 0.520816 0.520816 S\n0.381939 0.381939 0.381939 S\n0.215291 0.215291 0.215291 S\n0.465255 0.465255 0.465255 S\n0.743048 0.743048 0.743048 S\n0.020844 0.020844 0.020844 S\n0.826392 0.826392 0.826392 S\n0.576368 0.576368 0.576368 S\n0.631939 0.631939 0.631939 S\n0.326366 0.326366 0.326366 S\n",
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"elements": [
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],
"chemical_system": "S-Zn",
"density": 3.988537969528025,
"density_atomic": 0.04928398770421444,
"volume": 486.9735814406852,
"volume_molar": 12.219264390988043,
"formula_full": "Zn12 S12",
"formula_reduced": "ZnS",
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"energy": -89.98438188,
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"updated_at": "2021-11-28T01:34:37.391000Z",
"spacegroup": 160
},
{
"id": "mp-758281",
"created_at": "2022-09-04T14:39:29.752437Z",
"structure_string": "Rb4 B8 P8 H4 O36\n1.0\n12.307468 0.000000 0.000000\n0.000000 6.863573 0.000000\n0.000000 1.184828 8.868598\nRb B P H O\n4 8 8 4 36\ndirect\n0.379546 0.727529 0.810332 Rb\n0.120454 0.727529 0.310332 Rb\n0.879546 0.272471 0.689668 Rb\n0.620454 0.272471 0.189668 Rb\n0.637865 0.931859 0.639584 B\n0.862135 0.931859 0.139584 B\n0.635578 0.616382 0.530820 B\n0.864422 0.616382 0.030820 B\n0.135578 0.383618 0.969180 B\n0.364422 0.383618 0.469180 B\n0.137865 0.068141 0.860416 B\n0.362135 0.068141 0.360416 B\n0.708065 0.872591 0.942525 P\n0.791935 0.872591 0.442525 P\n0.038175 0.710240 0.822847 P\n0.461825 0.710240 0.322847 P\n0.538175 0.289760 0.677153 P\n0.961825 0.289760 0.177153 P\n0.208065 0.127409 0.557475 P\n0.291935 0.127409 0.057475 P\n0.980127 0.777773 0.588558 H\n0.519873 0.777773 0.088558 H\n0.480127 0.222227 0.911442 H\n0.019873 0.222227 0.411442 H\n0.204750 0.990645 0.995487 O\n0.295250 0.990645 0.495487 O\n0.045864 0.928288 0.847509 O\n0.715314 0.937751 0.769537 O\n0.454136 0.928288 0.347509 O\n0.904851 0.895075 0.503115 O\n0.784686 0.937751 0.269537 O\n0.595149 0.895075 0.003115 O\n0.593202 0.742629 0.629888 O\n0.749590 0.655990 0.985119 O\n0.040897 0.688794 0.651716 O\n0.928350 0.623739 0.883297 O\n0.906798 0.742629 0.129888 O\n0.136239 0.595689 0.899943 O\n0.750410 0.655990 0.485119 O\n0.459103 0.688794 0.151716 O\n0.571650 0.623739 0.383297 O\n0.363761 0.595689 0.399943 O\n0.636239 0.404311 0.600057 O\n0.428350 0.376261 0.616703 O\n0.540897 0.311206 0.848284 O\n0.249590 0.344010 0.514881 O\n0.863761 0.404311 0.100057 O\n0.093202 0.257371 0.870112 O\n0.071650 0.376261 0.116703 O\n0.959103 0.311206 0.348284 O\n0.250410 0.344010 0.014881 O\n0.406798 0.257371 0.370112 O\n0.404851 0.104925 0.996885 O\n0.215314 0.062249 0.730463 O\n0.095149 0.104925 0.496885 O\n0.545864 0.071712 0.652491 O\n0.284686 0.062249 0.230463 O\n0.954136 0.071712 0.152491 O\n0.704750 0.009355 0.504513 O\n0.795250 0.009355 0.004513 O\n",
"nsites": 60,
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"elements": [
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"O"
],
"chemical_system": "B-H-O-P-Rb",
"density": 2.78432500447169,
"density_atomic": 0.08008981833104478,
"volume": 749.1588974767661,
"volume_molar": 7.5192338870191575,
"formula_full": "Rb4 B8 P8 H4 O36",
"formula_reduced": "RbB2P2HO9",
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"energy": -449.5228581,
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"updated_at": "2021-11-28T01:34:25.871000Z",
"spacegroup": 14
},
{
"id": "mp-865830",
"created_at": "2022-09-04T14:39:29.753642Z",
"structure_string": "Lu2 Cu1 Os1\n1.0\n0.000000 3.356910 3.356910\n3.356910 0.000000 3.356910\n3.356910 3.356910 0.000000\nLu Cu Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
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"elements": [
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"Cu",
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],
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"density": 13.25038136431887,
"density_atomic": 0.05287019378654304,
"volume": 75.65699524668875,
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"formula_full": "Lu2 Cu1 Os1",
"formula_reduced": "Lu2CuOs",
"formula_anonymous": "ABC2",
"energy": -25.8287551,
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{
"id": "mp-28574",
"created_at": "2022-09-04T14:39:29.759434Z",
"structure_string": "K8 Pb8 O16\n1.0\n7.122024 -0.011936 -0.106288\n-3.544186 6.436913 -2.027263\n-0.018902 -0.017902 13.083997\nO K Pb\n16 8 8\ndirect\n0.855146 0.942883 0.342991 O\n0.144854 0.057117 0.657009 O\n0.110849 0.940381 0.138121 O\n0.889151 0.059619 0.861879 O\n0.166719 0.574257 0.143007 O\n0.833281 0.425743 0.856993 O\n0.391727 0.560212 0.361081 O\n0.608273 0.439788 0.638919 O\n0.924323 0.561301 0.354573 O\n0.075677 0.438699 0.645427 O\n0.577700 0.939487 0.144699 O\n0.646742 0.557025 0.155809 O\n0.335056 0.926039 0.356266 O\n0.664944 0.073961 0.643734 O\n0.353258 0.442975 0.844191 O\n0.422300 0.060513 0.855301 O\n0.484405 0.739229 0.734866 K\n0.263943 0.264183 0.008064 K\n0.011886 0.759731 0.765029 K\n0.988114 0.240269 0.234971 K\n0.233541 0.233611 0.491676 K\n0.766459 0.766389 0.508324 K\n0.515595 0.260771 0.265134 K\n0.736057 0.735817 0.991936 K\n0.238402 0.725714 0.465705 Pb\n0.761598 0.274286 0.534295 Pb\n0.736495 0.225785 0.966793 Pb\n0.263505 0.774215 0.033207 Pb\n0.515374 0.753257 0.253319 Pb\n0.484627 0.246743 0.746681 Pb\n0.013021 0.253162 0.754425 Pb\n0.986979 0.746838 0.245575 Pb\n",
"nsites": 32,
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"formula_full": "K8 Pb8 O16",
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"energy": -168.12572598,
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{
"id": "mp-1014219",
"created_at": "2022-09-04T14:39:30.230839Z",
"structure_string": "Hf1 Zn1\n1.0\n3.303560 0.000000 0.000000\n0.000000 3.303560 0.000000\n0.000000 0.000000 3.303560\nHf Zn\n1 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 2,
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"volume": 36.05343071375802,
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"formula_full": "Hf1 Zn1",
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},
{
"id": "mp-1031026",
"created_at": "2022-09-04T14:39:29.779578Z",
"structure_string": "Rb1 Li1 Mg6 O7\n1.0\n8.138383 0.000000 0.000000\n-0.000000 4.607344 0.000000\n0.000000 0.000000 4.607344\nRb Li Mg O\n1 1 6 7\ndirect\n0.427015 0.000000 -0.000000 Rb\n0.976670 0.000000 0.000000 Li\n0.004119 0.500000 0.500000 Mg\n0.514529 0.500000 0.500000 Mg\n0.252595 0.000000 0.500000 Mg\n0.754926 -0.000000 0.500000 Mg\n0.252595 0.500000 0.000000 Mg\n0.754926 0.500000 -0.000000 Mg\n0.754522 0.000000 0.000000 O\n0.259295 0.500000 0.500000 O\n0.759379 0.500000 0.500000 O\n0.018683 0.000000 0.500000 O\n0.501031 0.000000 0.500000 O\n0.018683 0.500000 -0.000000 O\n0.501031 0.500000 -0.000000 O\n",
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"volume": 172.7584914380016,
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"formula_full": "Rb1 Li1 Mg6 O7",
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},
{
"id": "mp-33009",
"created_at": "2022-09-04T14:39:29.785993Z",
"structure_string": "Mn4 O8\n1.0\n0.000002 -4.487739 -0.000051\n2.929568 0.000049 4.429457\n-2.926852 0.000051 4.427435\nMn O\n4 8\ndirect\n0.999992 0.499986 0.500040 Mn\n0.500050 0.499956 0.000050 Mn\n0.999966 0.999998 0.999984 Mn\n0.500082 0.000049 0.499944 Mn\n0.184255 0.852140 0.352186 O\n0.184278 0.352085 0.852289 O\n0.684413 0.147889 0.147730 O\n0.684364 0.647896 0.647787 O\n0.315694 0.352091 0.352219 O\n0.315728 0.852089 0.852154 O\n0.815608 0.647884 0.147852 O\n0.815569 0.147938 0.647764 O\n",
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"volume": 116.38877934736564,
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"formula_full": "Mn4 O8",
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},
{
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{
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{
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{
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}