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"results": [
{
"id": "mp-1245244",
"created_at": "2022-09-04T14:42:48.039046Z",
"structure_string": "Ga50 N50\n1.0\n11.846727 -0.157690 0.309897\n-0.161702 11.523321 0.326544\n0.320181 0.332375 11.513651\nGa N\n50 50\ndirect\n0.912576 0.950330 0.442881 Ga\n0.079485 0.753979 0.365536 Ga\n0.810366 0.833028 0.001841 Ga\n0.074016 0.839036 0.952377 Ga\n0.204641 0.218471 0.189824 Ga\n0.245009 0.851761 0.804733 Ga\n0.610824 0.771131 0.755421 Ga\n0.938862 0.162600 0.270251 Ga\n0.348829 0.124463 0.624882 Ga\n0.437595 0.109327 0.109190 Ga\n0.378105 0.869669 0.614157 Ga\n0.366047 0.905381 0.985408 Ga\n0.465405 0.305810 0.188645 Ga\n0.746900 0.395076 0.202627 Ga\n0.108290 0.150819 0.503311 Ga\n0.633041 0.006223 0.931478 Ga\n0.073659 0.990214 0.685231 Ga\n0.525938 0.516401 0.841254 Ga\n0.067877 0.779339 0.616704 Ga\n0.072589 0.406826 0.411680 Ga\n0.670971 0.952301 0.438624 Ga\n0.473749 0.375996 0.597186 Ga\n0.951976 0.572552 0.330847 Ga\n0.847599 0.236097 0.866755 Ga\n0.272703 0.295354 0.423121 Ga\n0.390219 0.689483 0.930447 Ga\n0.927142 0.625849 0.069077 Ga\n0.254487 0.510989 0.285168 Ga\n0.316005 0.710530 0.151273 Ga\n0.763180 0.120218 0.112555 Ga\n0.886560 0.414000 0.630595 Ga\n0.855571 0.154057 0.558391 Ga\n0.569290 0.033682 0.650262 Ga\n0.808533 0.704715 0.529999 Ga\n0.225181 0.929031 0.179582 Ga\n0.120206 0.571645 0.595732 Ga\n0.683773 0.499198 0.696533 Ga\n0.793453 0.929560 0.704338 Ga\n0.913523 0.703104 0.768732 Ga\n0.791417 0.762934 0.302045 Ga\n0.768429 0.428348 0.422670 Ga\n0.941766 0.307690 0.065639 Ga\n0.975206 0.902810 0.146175 Ga\n0.657516 0.253808 0.657573 Ga\n0.668290 0.663362 0.000574 Ga\n0.374157 0.634135 0.679066 Ga\n0.326846 0.756873 0.394651 Ga\n0.546308 0.766725 0.468448 Ga\n0.604987 0.329387 0.981589 Ga\n0.786001 0.490283 0.925227 Ga\n0.592423 0.205497 0.381869 N\n0.411593 0.184343 0.807630 N\n0.332892 0.022072 0.436487 N\n0.780537 0.000894 0.549110 N\n0.959323 0.796378 0.487374 N\n0.773510 0.758211 0.693771 N\n0.789528 0.302231 0.545733 N\n0.501864 0.742805 0.637494 N\n0.854592 0.008751 0.213189 N\n0.326187 0.410853 0.006987 N\n0.599054 0.388609 0.139389 N\n0.553813 0.681172 0.895406 N\n0.297751 0.556516 0.551197 N\n0.783116 0.536241 0.555032 N\n0.208423 0.348551 0.731673 N\n0.921875 0.025544 0.754730 N\n0.053020 0.242662 0.171962 N\n0.617531 0.739203 0.248935 N\n0.386085 0.263555 0.527201 N\n0.936219 0.735850 0.926919 N\n0.095509 0.616157 0.111595 N\n0.156827 0.694927 0.072663 N\n0.377006 0.156808 0.898864 N\n0.085752 0.891330 0.262382 N\n0.501639 0.509859 0.343235 N\n0.367431 0.562707 0.830082 N\n0.037105 0.434737 0.572301 N\n0.498419 0.985047 0.028334 N\n0.551775 0.468589 0.414211 N\n0.122744 0.544750 0.828924 N\n0.580561 0.703099 0.166808 N\n0.968491 0.113995 0.430705 N\n0.806169 0.938273 0.313865 N\n0.314411 0.586512 0.442097 N\n0.283096 0.082214 0.161056 N\n0.872390 0.756542 0.155182 N\n0.243134 0.363343 0.004402 N\n0.077361 0.493625 0.903430 N\n0.126041 0.117713 0.887382 N\n0.866168 0.466751 0.075143 N\n0.818034 0.245161 0.193846 N\n0.600544 0.120262 0.338998 N\n0.241667 0.032668 0.412943 N\n0.299946 0.368695 0.741758 N\n0.889036 0.138879 0.729058 N\n0.701750 0.160723 0.963977 N\n0.637460 0.942971 0.778142 N\n0.091127 0.206812 0.875262 N\n0.315200 0.335003 0.257430 N\n0.807839 0.393241 0.786268 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.430693231793563,
"density_atomic": 0.06373427425503962,
"volume": 1569.014492890264,
"volume_molar": 9.44882613066519,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -563.629148,
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"energy_above_hull": null,
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"band_gap": 0.0215,
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"updated_at": "2021-11-28T01:35:51.700000Z",
"spacegroup": 1
},
{
"id": "mp-1214188",
"created_at": "2022-09-04T14:43:49.540304Z",
"structure_string": "Ce8 Ta12 Se8 O32\n1.0\n7.664158 0.000000 0.000000\n0.000000 10.018366 0.000000\n0.000000 0.000000 12.000618\nCe Ta Se O\n8 12 8 32\ndirect\n0.000000 0.227531 0.351119 Ce\n0.000000 0.772469 0.648881 Ce\n0.500000 0.272469 0.851119 Ce\n0.500000 0.727531 0.148881 Ce\n0.000000 0.711619 0.155924 Ce\n0.000000 0.288381 0.844076 Ce\n0.500000 0.788381 0.655924 Ce\n0.500000 0.211619 0.344076 Ce\n0.249760 0.364535 0.083822 Ta\n0.750240 0.635465 0.916178 Ta\n0.249760 0.635465 0.916178 Ta\n0.250240 0.135465 0.583822 Ta\n0.750240 0.364535 0.083822 Ta\n0.749760 0.864535 0.416178 Ta\n0.250240 0.864535 0.416178 Ta\n0.749760 0.135465 0.583822 Ta\n0.213723 0.000000 0.000000 Ta\n0.786277 0.000000 0.000000 Ta\n0.286277 0.500000 0.500000 Ta\n0.713723 0.500000 0.500000 Ta\n0.000000 0.018789 0.164331 Se\n0.000000 0.981211 0.835669 Se\n0.500000 0.481211 0.664331 Se\n0.500000 0.518789 0.335669 Se\n0.000000 0.522626 0.360913 Se\n0.000000 0.477374 0.639087 Se\n0.500000 0.977374 0.860913 Se\n0.500000 0.022626 0.139087 Se\n0.000000 0.365929 0.051627 O\n0.000000 0.634071 0.948373 O\n0.500000 0.134071 0.551627 O\n0.500000 0.865929 0.448373 O\n0.246760 0.286590 0.224758 O\n0.753240 0.713410 0.775242 O\n0.246760 0.713410 0.775242 O\n0.253240 0.213410 0.724758 O\n0.753240 0.286590 0.224758 O\n0.746760 0.786590 0.275242 O\n0.253240 0.786590 0.275242 O\n0.746760 0.213410 0.724758 O\n0.000000 0.148738 0.549524 O\n0.000000 0.851262 0.450476 O\n0.500000 0.351262 0.049524 O\n0.500000 0.648738 0.950476 O\n0.262880 0.302379 0.475915 O\n0.737120 0.697621 0.524085 O\n0.262880 0.697621 0.524085 O\n0.237120 0.197621 0.975915 O\n0.737120 0.302379 0.475915 O\n0.762880 0.802379 0.024085 O\n0.237120 0.802379 0.024085 O\n0.762880 0.197621 0.975915 O\n0.245461 0.056915 0.397114 O\n0.754539 0.943085 0.602886 O\n0.245461 0.943085 0.602886 O\n0.254539 0.443085 0.897114 O\n0.754539 0.056915 0.397114 O\n0.745461 0.556915 0.102886 O\n0.254539 0.556915 0.102886 O\n0.745461 0.443085 0.897114 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Ce",
"Ta",
"Se",
"O"
],
"chemical_system": "Ce-O-Se-Ta",
"density": 7.9941463213618515,
"density_atomic": 0.0651157872772611,
"volume": 921.43553059601,
"volume_molar": 9.248357444190766,
"formula_full": "Ce8 Ta12 Se8 O32",
"formula_reduced": "Ce2Ta3(SeO4)2",
"formula_anonymous": "A2B2C3D8",
"energy": -563.66202498,
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"updated_at": "2021-11-28T01:36:18.081000Z",
"spacegroup": 58
},
{
"id": "mp-1245033",
"created_at": "2022-09-04T14:46:28.822078Z",
"structure_string": "Ga50 N50\n1.0\n12.036292 -0.013296 0.226969\n-0.018302 11.765315 0.079907\n0.223507 0.063237 10.866580\nGa N\n50 50\ndirect\n0.260618 0.650061 0.379562 Ga\n0.201615 0.461029 0.663151 Ga\n0.870808 0.780639 0.019822 Ga\n0.046903 0.373150 0.971306 Ga\n0.519661 0.384894 0.373721 Ga\n0.571101 0.098028 0.736509 Ga\n0.693688 0.878307 0.670339 Ga\n0.979305 0.205569 0.533444 Ga\n0.428508 0.303076 0.655004 Ga\n0.698827 0.902869 0.148453 Ga\n0.214215 0.719707 0.120566 Ga\n0.229472 0.863072 0.304834 Ga\n0.444574 0.553617 0.267147 Ga\n0.733441 0.301376 0.542474 Ga\n0.114954 0.252913 0.723622 Ga\n0.828877 0.006174 0.874694 Ga\n0.260062 0.401733 0.447976 Ga\n0.225935 0.512162 0.135548 Ga\n0.994556 0.479920 0.699572 Ga\n0.360120 0.685865 0.865999 Ga\n0.709780 0.155773 0.306300 Ga\n0.304342 0.449601 0.863749 Ga\n0.113779 0.658296 0.559047 Ga\n0.003689 0.168236 0.916344 Ga\n0.391610 0.561288 0.581195 Ga\n0.129137 0.873422 0.742862 Ga\n0.816129 0.567672 0.948686 Ga\n0.343002 0.909765 0.018634 Ga\n0.651735 0.766989 0.874110 Ga\n0.890816 0.034607 0.160557 Ga\n0.843577 0.319227 0.779123 Ga\n0.984381 0.984935 0.599920 Ga\n0.882384 0.631162 0.535090 Ga\n0.480266 0.792362 0.654317 Ga\n0.956854 0.814143 0.299767 Ga\n0.956384 0.278502 0.183356 Ga\n0.523603 0.544176 0.818077 Ga\n0.577219 0.911888 0.370843 Ga\n0.713821 0.552351 0.674849 Ga\n0.721492 0.670656 0.310198 Ga\n0.576730 0.665917 0.473118 Ga\n0.742893 0.433162 0.279344 Ga\n0.056953 0.890987 0.032895 Ga\n0.426055 0.039018 0.516291 Ga\n0.604096 0.296258 0.825392 Ga\n0.251204 0.910472 0.528435 Ga\n0.478140 0.922901 0.845790 Ga\n0.483586 0.734547 0.141023 Ga\n0.760542 0.098332 0.601758 Ga\n0.745433 0.243421 0.013002 Ga\n0.061998 0.630113 0.941245 N\n0.172271 0.867603 0.910347 N\n0.614085 0.784117 0.234672 N\n0.950887 0.946149 0.422150 N\n0.601592 0.830210 0.523781 N\n0.535488 0.613652 0.649964 N\n0.414657 0.392419 0.512180 N\n0.343003 0.827911 0.177030 N\n0.866614 0.694316 0.375409 N\n0.566991 0.119482 0.036827 N\n0.815728 0.186259 0.165729 N\n0.708295 0.382213 0.697771 N\n0.329034 0.719336 0.678266 N\n0.862104 0.365891 0.407112 N\n0.323787 0.184420 0.890833 N\n0.820885 0.089097 0.424333 N\n0.100323 0.830570 0.196152 N\n0.196750 0.207433 0.454174 N\n0.419376 0.646174 0.423544 N\n0.679945 0.596415 0.853213 N\n0.957935 0.517613 0.164172 N\n0.017297 0.562466 0.225343 N\n0.249562 0.781856 0.951254 N\n0.499118 0.768338 0.952626 N\n0.462031 0.354095 0.106752 N\n0.199803 0.416175 0.000751 N\n0.966073 0.321092 0.657599 N\n0.741228 0.883037 0.965978 N\n0.525927 0.401342 0.048052 N\n0.261693 0.207207 0.186968 N\n0.261472 0.136670 0.443029 N\n0.462787 0.387115 0.805957 N\n0.948901 0.314713 0.381177 N\n0.230982 0.770425 0.643915 N\n0.450391 0.148369 0.636696 N\n0.858374 0.871958 0.176259 N\n0.481270 0.122804 0.081040 N\n0.203473 0.136456 0.167107 N\n0.941482 0.790938 0.790625 N\n0.915813 0.446467 0.876348 N\n0.655284 0.299849 0.382313 N\n0.093007 0.645836 0.843343 N\n0.639536 0.019705 0.260580 N\n0.252836 0.123333 0.904291 N\n0.888943 0.020778 0.366320 N\n0.971834 0.025846 -0.001507 N\n0.836012 0.978950 0.693001 N\n0.881649 0.738683 0.733753 N\n0.277386 0.492569 0.298287 N\n0.840418 0.177992 0.879583 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
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"N"
],
"chemical_system": "Ga-N",
"density": 4.519558557473401,
"density_atomic": 0.06501257693643504,
"volume": 1538.1639170798187,
"volume_molar": 9.263039620607637,
"formula_full": "Ga50 N50",
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"updated_at": "2021-11-28T01:37:35.338000Z",
"spacegroup": 1
},
{
"id": "mp-1221185",
"created_at": "2022-09-04T14:46:03.829457Z",
"structure_string": "Na14 Si102\n1.0\n5.218249 9.036422 0.000000\n-5.218249 9.036422 0.000000\n0.000000 0.009525 25.610324\nNa Si\n14 102\ndirect\n0.333329 0.333329 0.041680 Na\n0.666666 0.666666 0.708365 Na\n0.000018 0.000018 0.374999 Na\n0.666671 0.666671 0.958320 Na\n0.999982 0.999982 0.625001 Na\n0.333334 0.333334 0.291635 Na\n0.833327 0.833327 0.166678 Na\n0.166673 0.166673 0.833322 Na\n0.166670 0.666691 0.833307 Na\n0.500000 0.000000 0.500000 Na\n0.833330 0.333309 0.166693 Na\n0.666691 0.166670 0.833307 Na\n0.000000 0.500000 0.500000 Na\n0.333309 0.833330 0.166693 Na\n0.000016 0.000016 0.125034 Si\n0.333337 0.333337 0.791710 Si\n0.666232 0.666232 0.458405 Si\n0.999984 0.999984 0.874966 Si\n0.333768 0.333768 0.541595 Si\n0.666663 0.666663 0.208290 Si\n0.081087 0.459463 0.912340 Si\n0.414458 0.792602 0.578928 Si\n0.747878 0.126102 0.245617 Si\n0.328394 0.950975 0.042868 Si\n0.661882 0.284319 0.709331 Si\n0.995407 0.617742 0.376274 Si\n0.328385 0.720666 0.042855 Si\n0.661804 0.054086 0.709553 Si\n0.994424 0.387343 0.376346 Si\n0.929369 0.535268 0.835131 Si\n0.262832 0.868432 0.501809 Si\n0.596200 0.201814 0.168464 Si\n0.950905 0.720791 0.042865 Si\n0.284298 0.053923 0.709548 Si\n0.617471 0.387711 0.376372 Si\n0.459411 0.459411 0.912313 Si\n0.792413 0.792413 0.578966 Si\n0.126085 0.126085 0.245612 Si\n0.535306 0.535306 0.835057 Si\n0.869139 0.869139 0.501787 Si\n0.201930 0.201930 0.168451 Si\n0.720791 0.950905 0.042865 Si\n0.053923 0.284298 0.709548 Si\n0.387711 0.617471 0.376372 Si\n0.950975 0.328394 0.042868 Si\n0.284319 0.661882 0.709331 Si\n0.617742 0.995407 0.376274 Si\n0.535268 0.929369 0.835131 Si\n0.868432 0.262832 0.501809 Si\n0.201814 0.596200 0.168464 Si\n0.459463 0.081087 0.912340 Si\n0.792602 0.414458 0.578928 Si\n0.126102 0.747878 0.245617 Si\n0.720666 0.328385 0.042855 Si\n0.054086 0.661804 0.709553 Si\n0.387343 0.994424 0.376346 Si\n0.918913 0.540537 0.087660 Si\n0.252122 0.873898 0.754383 Si\n0.585542 0.207398 0.421072 Si\n0.671606 0.049025 0.957132 Si\n0.004593 0.382258 0.623726 Si\n0.338118 0.715681 0.290669 Si\n0.671615 0.279334 0.957145 Si\n0.005576 0.612657 0.623654 Si\n0.338196 0.945914 0.290447 Si\n0.070631 0.464732 0.164869 Si\n0.403800 0.798186 0.831536 Si\n0.737168 0.131568 0.498191 Si\n0.049095 0.279209 0.957135 Si\n0.382529 0.612289 0.623628 Si\n0.715702 0.946077 0.290452 Si\n0.540589 0.540589 0.087687 Si\n0.873915 0.873915 0.754388 Si\n0.207587 0.207587 0.421034 Si\n0.464694 0.464694 0.164943 Si\n0.798070 0.798070 0.831549 Si\n0.130861 0.130861 0.498213 Si\n0.279209 0.049095 0.957135 Si\n0.612289 0.382529 0.623628 Si\n0.946077 0.715702 0.290452 Si\n0.049025 0.671606 0.957132 Si\n0.382258 0.004593 0.623726 Si\n0.715681 0.338118 0.290669 Si\n0.464732 0.070631 0.164869 Si\n0.798186 0.403800 0.831536 Si\n0.131568 0.737168 0.498191 Si\n0.540537 0.918913 0.087660 Si\n0.873898 0.252122 0.754383 Si\n0.207398 0.585542 0.421072 Si\n0.279334 0.671615 0.957145 Si\n0.612657 0.005576 0.623654 Si\n0.945914 0.338196 0.290447 Si\n0.333315 0.333315 0.884323 Si\n0.666434 0.666434 0.550886 Si\n0.000004 0.000004 0.217706 Si\n0.124676 0.124676 0.093784 Si\n0.458021 0.458021 0.760416 Si\n0.790827 0.790827 0.427164 Si\n0.124576 0.750626 0.093751 Si\n0.458012 0.083807 0.760402 Si\n0.790716 0.417697 0.427160 Si\n0.750626 0.124576 0.093751 Si\n0.083807 0.458012 0.760402 Si\n0.417697 0.790716 0.427160 Si\n0.666685 0.666685 0.115677 Si\n0.999996 0.999996 0.782294 Si\n0.333566 0.333566 0.449114 Si\n0.875324 0.875324 0.906216 Si\n0.209173 0.209173 0.572836 Si\n0.541979 0.541979 0.239584 Si\n0.875424 0.249374 0.906249 Si\n0.209284 0.582303 0.572840 Si\n0.541988 0.916193 0.239598 Si\n0.249374 0.875424 0.906249 Si\n0.582303 0.209284 0.572840 Si\n0.916193 0.541988 0.239598 Si\n",
"nsites": 116,
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"elements": [
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],
"chemical_system": "Na-Si",
"density": 2.1908227812750107,
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"volume": 2415.273805319737,
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"formula_full": "Na14 Si102",
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{
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{
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{
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