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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=67",
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"results": [
{
"id": "mp-1228185",
"created_at": "2022-09-04T14:47:58.860181Z",
"structure_string": "Ga8 As16 H102 C32 S36 O3\n1.0\n10.222926 0.000404 0.005931\n0.000512 12.891513 0.002519\n0.013752 0.004492 23.888911\nGa As H C S O\n8 16 102 32 36 3\ndirect\n0.000809 0.539197 0.601984 Ga\n0.499078 0.460828 0.102101 Ga\n0.500644 0.960883 0.398036 Ga\n0.998705 0.038800 0.897426 Ga\n0.223673 0.736654 0.644463 Ga\n0.276617 0.264613 0.144690 Ga\n0.723457 0.764790 0.355439 Ga\n0.777089 0.234892 0.855294 Ga\n0.079917 0.573548 0.746270 As\n0.420453 0.426631 0.246475 As\n0.579557 0.926701 0.253633 As\n0.921089 0.073118 0.753547 As\n0.435397 0.934498 0.693277 As\n0.063885 0.064606 0.194007 As\n0.936136 0.564622 0.305996 As\n0.563678 0.434516 0.805758 As\n0.785799 0.347675 0.551040 As\n0.714309 0.652363 0.051151 As\n0.285753 0.152357 0.448984 As\n0.213838 0.847800 0.949151 As\n0.282525 0.594512 0.520892 As\n0.217609 0.405647 0.020681 As\n0.782325 0.905731 0.479402 As\n0.718008 0.094408 0.979466 As\n0.700439 0.396188 0.455251 H\n0.799747 0.603893 0.955154 H\n0.200446 0.103797 0.544819 H\n0.299711 0.896151 0.044831 H\n0.596475 0.077852 0.677565 H\n0.903138 0.921605 0.177600 H\n0.096892 0.421613 0.322442 H\n0.403003 0.578614 0.822228 H\n0.133174 0.559903 0.847628 H\n0.366619 0.440150 0.347712 H\n0.633429 0.940160 0.152344 H\n0.866312 0.059766 0.652444 H\n0.850533 0.609822 0.775288 H\n0.649813 0.389673 0.275459 H\n0.350214 0.889726 0.224561 H\n0.150100 0.110606 0.724386 H\n0.117390 0.730986 0.495794 H\n0.382594 0.268921 0.995728 H\n0.617386 0.768946 0.504296 H\n0.882586 0.231186 0.004288 H\n0.198314 0.448843 0.810028 H\n0.301477 0.551264 0.310147 H\n0.698490 0.051263 0.189862 H\n0.801378 0.948660 0.690233 H\n0.490196 0.007437 0.787889 H\n0.010308 0.991740 0.288634 H\n0.989711 0.491727 0.211385 H\n0.510206 0.508256 0.711334 H\n0.537767 0.347664 0.556269 H\n0.962283 0.652366 0.056197 H\n0.037746 0.152349 0.443799 H\n0.462364 0.847907 0.943539 H\n0.958182 0.714324 0.795874 H\n0.541711 0.285876 0.295935 H\n0.458335 0.785957 0.204110 H\n0.041858 0.214362 0.703956 H\n0.436960 0.117975 0.654358 H\n0.062954 0.881939 0.154353 H\n0.937066 0.381930 0.345691 H\n0.563126 0.616834 0.845402 H\n0.162418 0.656063 0.434997 H\n0.337763 0.343708 0.934871 H\n0.662013 0.843600 0.565198 H\n0.837686 0.156440 0.065185 H\n0.488713 0.595886 0.464153 H\n0.011441 0.404024 0.964197 H\n0.988599 0.904089 0.535832 H\n0.511354 0.095990 0.035897 H\n0.533576 0.030590 0.611774 H\n0.966638 0.969881 0.112023 H\n0.033376 0.469822 0.388002 H\n0.466265 0.530102 0.887874 H\n0.903257 0.704658 0.723960 H\n0.596611 0.295446 0.223942 H\n0.403414 0.795477 0.276092 H\n0.096490 0.204668 0.775933 H\n0.329752 0.049080 0.766970 H\n0.170739 0.950488 0.267247 H\n0.829282 0.450437 0.232781 H\n0.670543 0.549474 0.732681 H\n0.472944 0.476018 0.502500 H\n0.027074 0.523923 0.002523 H\n0.972952 0.023990 0.497481 H\n0.527217 0.976232 0.997547 H\n0.762302 0.265373 0.455785 H\n0.738504 0.734988 0.956006 H\n0.262235 0.234651 0.544231 H\n0.237884 0.765241 0.044329 H\n0.605708 0.294457 0.619249 H\n0.894192 0.705487 0.119220 H\n0.105965 0.205470 0.380782 H\n0.391880 0.794571 0.880638 H\n0.272413 0.753949 0.461464 H\n0.227587 0.245990 0.961480 H\n0.772386 0.746047 0.538555 H\n0.727498 0.254191 0.038631 H\n0.873760 0.373673 0.453605 H\n0.626383 0.626476 0.953910 H\n0.373726 0.126346 0.546329 H\n0.126442 0.873589 0.046521 H\n0.604281 0.219154 0.555560 H\n0.895740 0.780908 0.055505 H\n0.104224 0.280852 0.444477 H\n0.395818 0.719271 0.944432 H\n0.352998 0.919426 0.792643 H\n0.146815 0.080186 0.293035 H\n0.853202 0.580185 0.206997 H\n0.646908 0.419954 0.706707 H\n0.379719 0.495292 0.439902 H\n0.120213 0.504775 0.939796 H\n0.879790 0.004785 0.560214 H\n0.620002 0.995218 0.060280 H\n0.025910 0.455718 0.826291 H\n0.473970 0.544335 0.326361 H\n0.526027 0.044325 0.173645 H\n0.973804 0.955565 0.673574 H\n0.360492 0.306388 0.706697 H\n0.138782 0.693706 0.206722 H\n0.860948 0.193542 0.293232 H\n0.274921 0.343997 0.656958 H\n0.224967 0.656056 0.157091 H\n0.775109 0.156161 0.343047 H\n0.397232 0.983209 0.769080 C\n0.103035 0.016144 0.269597 C\n0.896978 0.516092 0.230428 C\n0.602894 0.483788 0.730284 C\n0.113949 0.500344 0.815814 C\n0.385869 0.499827 0.315923 C\n0.614127 0.999814 0.184111 C\n0.885720 0.000058 0.684185 C\n0.779859 0.345432 0.469329 C\n0.720500 0.654778 0.969325 C\n0.279836 0.154591 0.530678 C\n0.220355 0.845324 0.030804 C\n0.198256 0.695985 0.472515 C\n0.301806 0.303890 0.972462 C\n0.698101 0.803934 0.527586 C\n0.801757 0.196280 0.027633 C\n0.422243 0.533178 0.476605 C\n0.077775 0.466823 0.976561 C\n0.922229 0.966878 0.523447 C\n0.577839 0.033248 0.023529 C\n0.929411 0.661845 0.761894 C\n0.570621 0.338260 0.261900 C\n0.429432 0.838323 0.238131 C\n0.070728 0.161935 0.737941 C\n0.613580 0.296983 0.573628 C\n0.886467 0.703061 0.073595 C\n0.113607 0.203022 0.426408 C\n0.386431 0.797121 0.926360 C\n0.508657 0.054543 0.654470 C\n0.991134 0.945276 0.154648 C\n0.008879 0.445258 0.345382 C\n0.490583 0.554198 0.845127 C\n0.942163 0.260251 0.584319 S\n0.557582 0.739958 0.083975 S\n0.442204 0.239680 0.415510 S\n0.059118 0.758960 0.915838 S\n0.034304 0.450128 0.686016 S\n0.465232 0.549976 0.185896 S\n0.534718 0.050051 0.314078 S\n0.966349 0.950061 0.813821 S\n0.243094 0.913952 0.650124 S\n0.254362 0.087280 0.149876 S\n0.745647 0.587377 0.350030 S\n0.753591 0.412738 0.850140 S\n0.150656 0.463537 0.540075 S\n0.349473 0.536374 0.039972 S\n0.650679 0.036443 0.459825 S\n0.849801 0.963891 0.960315 S\n0.787402 0.514957 0.574417 S\n0.712511 0.485020 0.074180 S\n0.287272 0.985033 0.425631 S\n0.212247 0.014816 0.925715 S\n0.558872 0.803691 0.692155 S\n0.936330 0.193842 0.194212 S\n0.063948 0.693696 0.305551 S\n0.435050 0.306350 0.805965 S\n0.258839 0.663982 0.732738 S\n0.241481 0.336355 0.232900 S\n0.758497 0.836261 0.267061 S\n0.742141 0.163928 0.767185 S\n0.019623 0.713061 0.610561 S\n0.480439 0.286846 0.110331 S\n0.519434 0.786877 0.389498 S\n0.980502 0.213157 0.889826 S\n0.390161 0.666709 0.590051 S\n0.110222 0.334203 0.090088 S\n0.889780 0.834206 0.409986 S\n0.610509 0.165879 0.910167 S\n0.341621 0.292889 0.667134 O\n0.158495 0.707452 0.167217 O\n0.841352 0.207589 0.332698 O\n",
"nsites": 197,
"nelements": 6,
"elements": [
"Ga",
"As",
"H",
"C",
"S",
"O"
],
"chemical_system": "As-C-Ga-H-O-S",
"density": 1.8175719110411135,
"density_atomic": 0.06257356913075189,
"volume": 3148.2941238073636,
"volume_molar": 9.624096633222747,
"formula_full": "Ga8 As16 H102 C32 S36 O3",
"formula_reduced": "Ga8As16H102C32(S12O)3",
"formula_anonymous": "A3B8C16D32E36F102",
"energy": -966.6830862,
"energy_per_atom": -4.90702074213198,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -946.5140862,
"band_gap": 2.5981,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.98e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.385000Z",
"spacegroup": 1
},
{
"id": "mp-531968",
"created_at": "2022-09-04T14:48:20.087812Z",
"structure_string": "K16 Ba24 Sb32\n1.0\n9.465895 0.000000 0.000000\n-1.368671 11.240480 0.000000\n-0.091667 -0.745537 29.572380\nK Ba Sb\n16 24 32\ndirect\n0.029046 0.105674 0.059802 K\n0.984591 0.114364 0.696323 K\n0.876408 0.508665 0.374827 K\n0.853244 0.525590 0.863735 K\n0.808639 0.684535 0.054631 K\n0.804104 0.674884 0.200087 K\n0.828920 0.684198 0.543237 K\n0.634610 0.966665 0.109777 K\n0.654279 0.968073 0.640746 K\n0.489480 0.628482 0.801435 K\n0.490195 0.352967 0.188583 K\n0.494079 0.358973 0.559310 K\n0.437669 0.999338 0.380172 K\n0.351335 0.040381 0.885289 K\n0.118945 0.494757 0.136278 K\n0.128912 0.505605 0.622671 K\n0.961665 0.095393 0.200298 Ba\n0.011228 0.111336 0.561308 Ba\n0.828600 0.678713 0.691521 Ba\n0.661087 0.196372 0.295651 Ba\n0.671098 0.200015 0.456784 Ba\n0.669374 0.172267 0.800397 Ba\n0.705587 0.214102 0.948102 Ba\n0.494721 0.605175 0.307140 Ba\n0.493898 0.613963 0.442221 Ba\n0.470956 0.671280 0.926224 Ba\n0.538050 0.365648 0.061779 Ba\n0.508600 0.367793 0.686824 Ba\n0.292087 0.786971 0.050647 Ba\n0.345921 0.807953 0.207333 Ba\n0.350301 0.828615 0.545879 Ba\n0.339195 0.810555 0.706152 Ba\n0.170911 0.323581 0.303143 Ba\n0.188207 0.338412 0.802926 Ba\n0.199527 0.329723 0.953679 Ba\n0.172157 0.324114 0.447118 Ba\n0.020948 0.923416 0.799445 Ba\n0.027807 0.907662 0.306953 Ba\n0.037078 0.922188 0.440687 Ba\n0.937118 0.900386 0.935271 Ba\n0.937975 0.166171 0.372355 Sb\n0.987919 0.168469 0.876506 Sb\n0.866474 0.381501 0.216853 Sb\n0.880134 0.381671 0.539517 Sb\n0.872531 0.387919 0.715192 Sb\n0.903175 0.384416 0.041573 Sb\n0.737686 0.795227 0.374994 Sb\n0.658294 0.889581 0.855757 Sb\n0.792840 0.265454 0.126852 Sb\n0.777561 0.269964 0.624643 Sb\n0.609924 0.928585 0.992546 Sb\n0.663262 0.883913 0.284156 Sb\n0.675731 0.889487 0.466911 Sb\n0.686841 0.883582 0.756452 Sb\n0.484026 0.622418 0.124335 Sb\n0.503653 0.636592 0.625051 Sb\n0.488418 0.356470 0.375386 Sb\n0.496913 0.377370 0.877909 Sb\n0.303515 0.099835 0.242522 Sb\n0.317236 0.105471 0.501080 Sb\n0.322534 0.112820 0.739365 Sb\n0.380918 0.080876 0.006771 Sb\n0.234938 0.730125 0.374085 Sb\n0.181321 0.741531 0.869986 Sb\n0.289080 0.055562 0.142651 Sb\n0.301703 0.064079 0.637302 Sb\n0.090264 0.625807 0.955682 Sb\n0.124615 0.620033 0.287754 Sb\n0.132313 0.632586 0.461065 Sb\n0.104832 0.622882 0.780261 Sb\n0.048635 0.862825 0.133470 Sb\n0.064162 0.868000 0.626635 Sb\n",
"nsites": 72,
"nelements": 3,
"elements": [
"K",
"Ba",
"Sb"
],
"chemical_system": "Ba-K-Sb",
"density": 4.125699062948873,
"density_atomic": 0.022882300164423844,
"volume": 3146.536820277434,
"volume_molar": 26.317899497546566,
"formula_full": "K16 Ba24 Sb32",
"formula_reduced": "K2Ba3Sb4",
"formula_anonymous": "A2B3C4",
"energy": -251.58388574,
"energy_per_atom": -3.494220635277778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -245.43988574,
"band_gap": 0.3424,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0043798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:56.072000Z",
"spacegroup": 1
},
{
"id": "mp-571637",
"created_at": "2022-09-04T14:45:53.062341Z",
"structure_string": "K24 Cd24 Te36\n1.0\n16.051397 0.000000 0.000000\n0.000000 13.497927 0.000000\n0.000000 1.142194 14.522745\nK Cd Te\n24 24 36\ndirect\n0.961341 0.142518 0.560648 K\n0.770281 0.733787 0.267993 K\n0.024577 0.642832 0.046457 K\n0.054917 0.980632 0.122588 K\n0.526492 0.474822 0.145234 K\n0.554917 0.019368 0.377412 K\n0.473508 0.525178 0.854766 K\n0.026492 0.525178 0.354766 K\n0.524577 0.357168 0.453543 K\n0.529618 0.247684 0.766834 K\n0.229719 0.266213 0.732007 K\n0.538659 0.142518 0.060648 K\n0.475423 0.642832 0.546457 K\n0.029618 0.752316 0.733166 K\n0.945083 0.019368 0.877412 K\n0.270281 0.266213 0.232007 K\n0.970382 0.247684 0.266834 K\n0.975423 0.357168 0.953543 K\n0.729719 0.733787 0.767993 K\n0.470382 0.752316 0.233166 K\n0.973508 0.474822 0.645234 K\n0.461341 0.857482 0.939352 K\n0.445083 0.980632 0.622588 K\n0.038659 0.857482 0.439352 K\n0.246274 0.681177 0.886525 Cd\n0.791308 0.631373 0.019336 Cd\n0.291308 0.368627 0.480664 Cd\n0.253726 0.681177 0.386525 Cd\n0.750225 0.177557 0.904537 Cd\n0.729844 0.442778 0.318682 Cd\n0.309447 0.137655 0.990876 Cd\n0.270156 0.557222 0.681318 Cd\n0.770156 0.442778 0.818682 Cd\n0.290707 0.008395 0.322831 Cd\n0.229844 0.557222 0.181318 Cd\n0.209293 0.008395 0.822831 Cd\n0.249775 0.822443 0.095463 Cd\n0.749775 0.177557 0.404537 Cd\n0.809447 0.862345 0.509124 Cd\n0.190553 0.137655 0.490876 Cd\n0.709293 0.991605 0.677169 Cd\n0.790707 0.991605 0.177169 Cd\n0.746274 0.318823 0.613475 Cd\n0.250225 0.822443 0.595463 Cd\n0.708692 0.631373 0.519336 Cd\n0.208692 0.368627 0.980664 Cd\n0.753726 0.318823 0.113475 Cd\n0.690553 0.862345 0.009124 Cd\n0.155085 0.509946 0.832499 Te\n0.122625 0.067497 0.325307 Te\n0.861530 0.262249 0.761505 Te\n0.888969 0.584724 0.862322 Te\n0.879462 0.670274 0.483067 Te\n0.139885 0.843920 0.932908 Te\n0.620538 0.670274 0.983067 Te\n0.111031 0.415276 0.137678 Te\n0.860115 0.156080 0.067092 Te\n0.634393 0.835430 0.560053 Te\n0.344915 0.509946 0.332499 Te\n0.638470 0.262249 0.261505 Te\n0.611031 0.584724 0.362322 Te\n0.347614 0.648135 0.050448 Te\n0.844915 0.490054 0.167501 Te\n0.365607 0.164570 0.439947 Te\n0.648773 0.013574 0.862652 Te\n0.655085 0.490054 0.667501 Te\n0.865607 0.835430 0.060053 Te\n0.361530 0.737751 0.738495 Te\n0.388969 0.415276 0.637678 Te\n0.152386 0.648135 0.550448 Te\n0.877375 0.932503 0.674693 Te\n0.622625 0.932503 0.174693 Te\n0.377375 0.067497 0.825307 Te\n0.360115 0.843920 0.432908 Te\n0.379462 0.329726 0.016933 Te\n0.120538 0.329726 0.516933 Te\n0.652386 0.351865 0.949552 Te\n0.351227 0.986426 0.137348 Te\n0.847614 0.351865 0.449552 Te\n0.639885 0.156080 0.567092 Te\n0.148773 0.986426 0.637348 Te\n0.134393 0.164570 0.939947 Te\n0.138470 0.737751 0.238495 Te\n0.851227 0.013574 0.362652 Te\n",
"nsites": 84,
"nelements": 3,
"elements": [
"K",
"Cd",
"Te"
],
"chemical_system": "Cd-K-Te",
"density": 4.343211511741299,
"density_atomic": 0.026696274726637742,
"volume": 3146.506426838055,
"volume_molar": 22.557981672218343,
"formula_full": "K24 Cd24 Te36",
"formula_reduced": "K2Cd2Te3",
"formula_anonymous": "A2B2C3",
"energy": -239.32810235,
"energy_per_atom": -2.849144075595238,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.13610235,
"band_gap": 1.3224,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0021512,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.139000Z",
"spacegroup": 14
},
{
"id": "mp-1204134",
"created_at": "2022-09-04T14:41:54.772436Z",
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{
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}
]
}