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{
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"results": [
{
"id": "mp-1235328",
"created_at": "2022-09-04T14:40:22.639326Z",
"structure_string": "Li1 Au4 Se4 Cl4 O12\n1.0\n4.459233 -0.081131 0.042565\n0.196354 10.058450 1.454787\n-0.107639 -0.236498 11.093422\nLi Au Se Cl O\n1 4 4 4 12\ndirect\n0.138615 0.418919 0.470898 Li\n0.994008 0.582247 0.187344 Au\n0.998067 0.999621 0.999790 Au\n0.998724 0.419809 0.811075 Au\n0.003282 0.005523 0.497249 Au\n0.721541 0.871629 0.265232 Se\n0.197647 0.713093 0.907496 Se\n0.795102 0.287048 0.088767 Se\n0.282947 0.130542 0.735835 Se\n0.320081 0.498469 0.650962 Cl\n0.701696 0.499293 0.361678 Cl\n0.298266 0.195895 0.445872 Cl\n0.725736 0.815308 0.544697 Cl\n0.655370 0.952164 0.120050 O\n0.689909 0.354945 0.943156 O\n0.027555 0.769380 0.245364 O\n0.082606 0.176076 0.064462 O\n0.060856 0.395431 0.136379 O\n0.911502 0.824195 0.933241 O\n0.303923 0.645865 0.052452 O\n0.975345 0.234977 0.752207 O\n0.930933 0.001638 0.317034 O\n0.927771 0.603984 0.862605 O\n0.342243 0.047504 0.879563 O\n0.069055 0.006445 0.678973 O\n",
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"formula_full": "Li1 Au4 Se4 Cl4 O12",
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"spacegroup": 1
},
{
"id": "mp-1175062",
"created_at": "2022-09-04T14:40:22.566129Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n3.000369 0.000000 0.000000\n-1.103941 7.539009 0.000000\n-0.614148 -2.039947 9.643023\nLi Mn Co O\n7 2 3 12\ndirect\n0.084066 0.164774 0.747670 Li\n0.579599 0.166408 0.254913 Li\n0.761141 0.497071 0.744534 Li\n0.250121 0.502324 0.257246 Li\n0.417145 0.830772 0.741006 Li\n0.908064 0.836906 0.254488 Li\n0.833583 0.666520 0.499728 Li\n0.005712 0.999231 0.995612 Mn\n0.327462 0.667530 0.002929 Mn\n0.489575 0.991519 0.502498 Co\n0.666409 0.333608 0.001505 Co\n0.176268 0.341698 0.497833 Co\n0.577086 0.085121 0.880392 O\n0.073191 0.100375 0.392035 O\n0.213121 0.419313 0.888405 O\n0.730861 0.408647 0.384595 O\n0.907558 0.752206 0.880518 O\n0.391509 0.783585 0.386362 O\n0.593829 0.233743 0.607815 O\n0.120690 0.246986 0.112473 O\n0.274767 0.549806 0.614855 O\n0.753584 0.583585 0.121783 O\n0.937954 0.924384 0.614420 O\n0.426705 0.913888 0.116384 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.013913983977691,
"density_atomic": 0.11002949195389347,
"volume": 218.12333742354195,
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.41363253,
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"updated_at": "2021-11-28T01:34:52.700000Z",
"spacegroup": 1
},
{
"id": "mp-1204358",
"created_at": "2022-09-04T14:40:22.678408Z",
"structure_string": "Mg4 B8 H30\n1.0\n8.028503 -0.021928 -0.235424\n-0.019864 7.955507 0.112097\n-0.136978 0.142140 10.157485\nMg B H\n4 8 30\ndirect\n0.108975 0.536394 0.206182 Mg\n0.378743 0.967417 0.796586 Mg\n0.930574 0.028114 0.002788 Mg\n0.282685 0.478727 0.527608 Mg\n0.350220 0.729494 0.647688 B\n0.175741 0.898950 0.948919 B\n0.654916 0.006184 0.910220 B\n0.080803 0.790945 0.081139 B\n0.997735 0.293938 0.088759 B\n0.014310 0.587181 0.432096 B\n0.371907 0.411279 0.303334 B\n0.341266 0.224420 0.659705 B\n0.778545 0.013089 0.842225 H\n0.186866 0.776339 0.171608 H\n0.902181 0.395256 0.132103 H\n0.146199 0.654150 0.398638 H\n0.450324 0.299900 0.258462 H\n0.279589 0.205505 0.767808 H\n0.471024 0.744374 0.724323 H\n0.568549 0.126071 0.874540 H\n0.144874 0.334856 0.088140 H\n0.029103 0.655190 0.039097 H\n0.452532 0.475541 0.395643 H\n0.941362 0.516150 0.339421 H\n0.259825 0.852289 0.633597 H\n0.223916 0.234072 0.578183 H\n0.267288 0.016414 0.983415 H\n0.594123 0.866572 0.894566 H\n0.081957 0.956488 0.856866 H\n0.953680 0.278332 0.972004 H\n0.253902 0.788480 0.897991 H\n0.681889 0.019356 0.029836 H\n0.990182 0.166398 0.159670 H\n0.958836 0.847667 0.137530 H\n0.038409 0.471289 0.514430 H\n0.353107 0.529187 0.222300 H\n0.429644 0.109607 0.626452 H\n0.264304 0.614728 0.692802 H\n0.927675 0.693688 0.474589 H\n0.237054 0.352206 0.338317 H\n0.407933 0.704215 0.539973 H\n0.431221 0.349551 0.667422 H\n",
"nsites": 42,
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"elements": [
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"density": 0.547929632639775,
"density_atomic": 0.06477693633718629,
"volume": 648.3789196416379,
"volume_molar": 9.296735999758745,
"formula_full": "Mg4 B8 H30",
"formula_reduced": "Mg2B4H15",
"formula_anonymous": "A2B4C15",
"energy": -175.4789107,
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"updated_at": "2021-11-28T01:34:55.544000Z",
"spacegroup": 1
},
{
"id": "mp-1215418",
"created_at": "2022-09-04T14:40:22.744086Z",
"structure_string": "Zn1 In3 As1 Se4\n1.0\n5.976148 0.000000 0.000000\n2.979631 6.636301 0.000000\n2.975055 0.045447 6.686483\nZn In As Se\n1 3 1 4\ndirect\n0.987187 0.003526 0.998408 Zn\n0.396695 0.395464 0.808033 In\n0.611986 0.602875 0.193410 In\n0.802863 0.800470 0.601373 In\n0.426156 0.716290 0.904002 As\n0.646213 0.918136 0.295980 Se\n0.869853 0.104235 0.695142 Se\n0.052015 0.278911 0.112868 Se\n0.257033 0.480093 0.490785 Se\n",
"nsites": 9,
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"elements": [
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"As",
"Se"
],
"chemical_system": "As-In-Se-Zn",
"density": 5.013405840000513,
"density_atomic": 0.033938867353476745,
"volume": 265.18268586467804,
"volume_molar": 17.74408290435504,
"formula_full": "Zn1 In3 As1 Se4",
"formula_reduced": "ZnIn3AsSe4",
"formula_anonymous": "ABC3D4",
"energy": -34.626601,
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"updated_at": "2021-11-28T01:34:49.998000Z",
"spacegroup": 1
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{
"id": "mp-1176962",
"created_at": "2022-09-04T14:40:22.834862Z",
"structure_string": "Li6 Ti3 Fe1 P6 O24\n1.0\n8.550786 0.000000 0.000000\n3.970004 7.642208 0.000000\n3.984390 2.436564 7.236857\nLi Ti Fe P O\n6 3 1 6 24\ndirect\n0.980346 0.011083 0.004230 Li\n0.245451 0.654739 0.852381 Li\n0.522196 0.502019 0.491312 Li\n0.773841 0.340330 0.160541 Li\n0.338244 0.162295 0.775275 Li\n0.162734 0.774613 0.337864 Li\n0.854264 0.864143 0.855165 Ti\n0.646355 0.644927 0.638064 Ti\n0.352466 0.351308 0.350845 Ti\n0.148908 0.150640 0.150705 Fe\n0.945442 0.552595 0.246569 P\n0.552037 0.249759 0.943089 P\n0.249169 0.946125 0.548118 P\n0.746456 0.042790 0.458985 P\n0.456848 0.747021 0.039064 P\n0.044510 0.462261 0.747395 P\n0.878756 0.514235 0.687467 O\n0.677978 0.884910 0.506103 O\n0.949902 0.734425 0.079307 O\n0.485371 0.685968 0.882616 O\n0.758299 0.582608 0.404660 O\n0.959753 0.397195 0.194772 O\n0.740679 0.092604 0.929772 O\n0.565251 0.416971 0.761259 O\n0.404061 0.755085 0.580336 O\n0.806549 0.005675 0.619094 O\n0.903676 0.055914 0.270365 O\n0.626079 0.798218 0.996242 O\n0.395090 0.194951 0.962465 O\n0.094856 0.928252 0.741424 O\n0.192703 0.963106 0.395585 O\n0.589891 0.234046 0.436852 O\n0.438836 0.588239 0.229883 O\n0.271166 0.906024 0.058225 O\n0.024244 0.621552 0.799727 O\n0.233821 0.434248 0.587931 O\n0.510476 0.304696 0.110245 O\n0.053679 0.275568 0.906248 O\n0.306621 0.110527 0.507051 O\n0.112998 0.507338 0.303765 O\n",
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"elements": [
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"formula_full": "Li6 Ti3 Fe1 P6 O24",
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"spacegroup": 1
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{
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"structure_string": "Na2 Zr1 Co1 P4 O14\n1.0\n6.620008 0.000000 0.000000\n0.892989 6.571168 0.000000\n0.563450 2.742162 6.390740\nNa Zr Co P O\n2 1 1 4 14\ndirect\n0.267361 0.171356 0.411692 Na\n0.511569 0.592282 0.066047 Na\n0.006017 0.976584 0.006379 Zr\n0.692429 0.779817 0.464517 Co\n0.218827 0.672859 0.459458 P\n0.968304 0.536395 0.867186 P\n0.491842 0.119039 0.972510 P\n0.731360 0.244274 0.560090 P\n0.555255 0.257149 0.734480 O\n0.294342 0.517814 0.356210 O\n0.759912 0.636058 0.774826 O\n0.324345 0.978468 0.961637 O\n0.665980 0.099201 0.460673 O\n0.682603 0.952489 0.076006 O\n0.046001 0.675921 0.971162 O\n0.928502 0.135700 0.691068 O\n0.131100 0.524677 0.689403 O\n0.027477 0.836430 0.344359 O\n0.417136 0.274445 0.074480 O\n0.746041 0.484389 0.413859 O\n0.375707 0.805414 0.490317 O\n0.969991 0.292440 0.020539 O\n",
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{
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"structure_string": "V6 O2 F22\n1.0\n5.265154 0.000000 0.000000\n-0.000276 5.464973 0.000000\n-0.002931 -2.642020 14.599231\nV O F\n6 2 22\ndirect\n0.000091 0.000282 0.999834 V\n0.491779 0.845604 0.665826 V\n0.007946 0.679306 0.332840 V\n0.500117 0.500304 0.999920 V\n0.975305 0.373813 0.669560 V\n0.524352 0.207471 0.336364 V\n0.795150 0.624481 0.689089 O\n0.704569 0.458080 0.355653 O\n0.791845 0.978275 0.358031 F\n0.696853 0.811074 0.024566 F\n0.293357 0.861144 0.310068 F\n0.913402 0.958379 0.883035 F\n0.588766 0.782700 0.549840 F\n0.910811 0.616185 0.216681 F\n0.424447 0.868970 0.783912 F\n0.075220 0.700404 0.450697 F\n0.413240 0.538725 0.116642 F\n0.803213 0.311046 0.024476 F\n0.197188 0.688976 0.975227 F\n0.284710 0.531443 0.642216 F\n0.215094 0.364628 0.309084 F\n0.587652 0.458701 0.883197 F\n0.926721 0.271497 0.550831 F\n0.572677 0.104441 0.217495 F\n0.093113 0.364435 0.780864 F\n0.409062 0.197526 0.447764 F\n0.085230 0.040672 0.116786 F\n0.708522 0.144706 0.691354 F\n0.302898 0.188898 0.975118 F\n0.206672 0.027835 0.643028 F\n",
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"formula_full": "V6 O2 F22",
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{
"id": "mp-1233206",
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"structure_string": "Mg1 Co5 P8 O28\n1.0\n7.548250 -0.089969 0.286272\n-0.604129 7.729960 -0.172865\n0.404228 -2.977898 10.008853\nMg Co P O\n1 5 8 28\ndirect\n0.524380 0.092807 0.158066 Mg\n0.273520 0.848258 0.597267 Co\n0.225429 0.813685 0.074448 Co\n0.490751 0.493878 0.998020 Co\n0.770560 0.169630 0.912640 Co\n0.757193 0.153424 0.411372 Co\n0.174522 0.188471 0.028732 P\n0.161835 0.203249 0.311984 P\n0.279304 0.549423 0.759118 P\n0.489813 0.769856 0.301180 P\n0.511335 0.239830 0.693408 P\n0.719698 0.446533 0.234885 P\n0.846019 0.804896 0.688532 P\n0.816821 0.803350 0.976403 P\n0.973057 0.833771 0.064040 O\n0.991932 0.130761 0.381831 O\n0.100319 0.453783 0.739348 O\n0.082339 0.222935 0.177092 O\n0.283295 0.364735 0.027340 O\n0.242445 0.377456 0.398301 O\n0.319025 0.709617 0.699288 O\n0.355485 0.816101 0.420508 O\n0.336155 0.626050 0.908641 O\n0.361523 0.091734 0.676814 O\n0.305291 0.037652 0.005177 O\n0.400862 0.705244 0.163846 O\n0.287776 0.047067 0.256303 O\n0.436526 0.419136 0.683690 O\n0.582303 0.600103 0.313151 O\n0.751151 0.982687 0.737695 O\n0.588725 0.291063 0.835083 O\n0.701976 0.970731 0.010831 O\n0.622709 0.932611 0.296850 O\n0.633406 0.344968 0.093254 O\n0.659426 0.199458 0.581890 O\n0.672133 0.289593 0.302292 O\n0.736978 0.648198 0.600663 O\n0.698257 0.635490 0.983749 O\n0.895085 0.764298 0.824948 O\n0.901853 0.528998 0.232461 O\n0.025331 0.838748 0.616236 O\n0.022385 0.151389 0.935120 O\n",
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{
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},
{
"id": "mp-1358820",
"created_at": "2022-09-04T14:40:22.926789Z",
"structure_string": "K3 Li3 Sb9 O24\n1.0\n8.803738 0.000000 0.000000\n-3.310790 8.160766 0.000000\n-2.691712 -4.113243 7.497049\nK Li Sb O\n3 3 9 24\ndirect\n0.880319 0.841432 0.929069 K\n0.495283 0.490414 0.016977 K\n0.129501 0.119918 0.038555 K\n0.355001 0.150422 0.542660 Li\n0.969195 0.764746 0.541646 Li\n0.198318 0.717281 0.747226 Li\n0.836997 0.319650 0.166347 Sb\n0.034043 0.151245 0.477775 Sb\n0.646154 0.834225 0.517223 Sb\n0.677721 0.492797 0.491732 Sb\n0.824250 0.332488 0.823798 Sb\n0.505446 0.013857 0.823929 Sb\n0.352785 0.992047 0.317680 Sb\n0.176279 0.658160 0.166488 Sb\n0.310425 0.498306 0.518021 Sb\n0.831814 0.109693 0.346646 O\n0.807245 0.857300 0.635498 O\n0.473393 0.532172 0.657264 O\n0.874859 0.497067 0.290183 O\n0.788140 0.151882 0.721813 O\n0.472789 0.867051 0.688715 O\n0.810229 0.771984 0.364529 O\n0.804461 0.508648 0.639974 O\n0.513857 0.217631 0.639853 O\n0.117648 0.477234 0.067014 O\n0.456462 0.790542 0.024508 O\n0.845682 0.180891 0.025103 O\n0.216894 0.870191 0.953298 O\n0.836633 0.490928 0.953760 O\n0.534984 0.166365 0.960291 O\n0.464842 0.785008 0.411909 O\n0.204632 0.483162 0.347832 O\n0.168562 0.218823 0.635354 O\n0.567708 0.204771 0.309091 O\n0.148827 0.787066 0.306906 O\n0.106321 0.500595 0.688905 O\n0.234414 0.151079 0.276662 O\n0.525545 0.487356 0.364778 O\n0.188543 0.901776 0.570988 O\n",
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{
"id": "mp-1075132",
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"structure_string": "Mg6 Si8\n1.0\n5.759722 0.000000 0.000000\n-2.109253 6.605178 0.000000\n-0.144846 -3.089391 6.507146\nMg Si\n6 8\ndirect\n0.462748 0.544303 0.388889 Mg\n0.853924 0.978773 0.510788 Mg\n0.319085 0.219501 0.889798 Mg\n0.835004 0.259995 0.958453 Mg\n0.975943 0.569358 0.428287 Mg\n0.079794 0.091706 0.212979 Mg\n0.390475 0.835161 0.849899 Si\n0.665098 0.379014 0.660773 Si\n0.574832 0.145802 0.255410 Si\n0.765343 0.661670 0.076469 Si\n0.803908 0.806293 0.806795 Si\n0.367123 0.946635 0.461651 Si\n0.150846 0.413096 0.671957 Si\n0.256105 0.648743 0.074542 Si\n",
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{
"id": "mp-728514",
"created_at": "2022-09-04T14:40:22.978740Z",
"structure_string": "Li9 Co9 O17\n1.0\n-6.625181 0.000000 0.000000\n3.245024 7.026007 0.000000\n-0.588046 -3.365598 -7.019331\nLi Co O\n9 9 17\ndirect\n0.556008 0.721045 0.055785 Li\n0.080252 0.933892 0.598923 Li\n0.667394 0.169321 0.166606 Li\n0.228525 0.389474 0.724691 Li\n0.778359 0.613705 0.276716 Li\n0.326992 0.812018 0.843517 Li\n0.884361 0.054306 0.386098 Li\n0.452616 0.299468 0.963866 Li\n0.001861 0.502436 0.498776 Li\n0.999579 0.000963 0.999405 Co\n0.560642 0.229054 0.549594 Co\n0.111780 0.443498 0.112335 Co\n0.662729 0.664864 0.663293 Co\n0.219785 0.889354 0.221277 Co\n0.796304 0.112309 0.779126 Co\n0.333425 0.341166 0.337705 Co\n0.888282 0.553843 0.887169 Co\n0.446551 0.771746 0.437796 Co\n0.562430 0.450942 0.786088 O\n0.123265 0.705545 0.353130 O\n0.670070 0.905419 0.904239 O\n0.991104 0.744408 0.758311 O\n0.250912 0.149744 0.473677 O\n0.544481 0.988864 0.331647 O\n0.793016 0.365774 0.019456 O\n0.117544 0.190781 0.872323 O\n0.340274 0.590147 0.581544 O\n0.660218 0.434430 0.424212 O\n0.897562 0.807350 0.127808 O\n0.211236 0.634947 0.980121 O\n0.763814 0.864521 0.535824 O\n0.009330 0.248696 0.243531 O\n0.325222 0.077257 0.091221 O\n0.854012 0.293087 0.638799 O\n0.427128 0.516692 0.193662 O\n",
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],
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}
]
}