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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=12143",
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"results": [
{
"id": "mp-1234553",
"created_at": "2022-09-04T14:45:14.503601Z",
"structure_string": "Mg1 Zn3 Cu2 H14 S2 O18\n1.0\n5.537653 0.228213 0.356158\n0.198347 6.766381 -0.530462\n0.693032 -0.079452 10.707014\nMg Zn Cu H S O\n1 3 2 14 2 18\ndirect\n0.874973 0.752127 0.682357 Mg\n0.024367 0.027084 0.012853 Zn\n0.457496 0.733936 0.526743 Zn\n0.404821 0.232120 0.460899 Zn\n0.981559 0.018877 0.488471 Cu\n0.981558 0.390069 0.414089 Cu\n0.760165 0.358594 0.057089 H\n0.249647 0.665772 0.940991 H\n0.662742 0.253389 0.934234 H\n0.351538 0.752650 0.068669 H\n0.849199 0.655846 0.903687 H\n0.141306 0.345778 0.135238 H\n0.597033 0.790200 0.913062 H\n0.395251 0.215396 0.092334 H\n0.776925 0.120787 0.301258 H\n0.235984 0.904812 0.726435 H\n0.342904 0.902914 0.332899 H\n0.651197 0.087607 0.667668 H\n0.351774 0.531448 0.336371 H\n0.644044 0.458005 0.641938 H\n0.272710 0.299058 0.790354 S\n0.751267 0.713539 0.205118 S\n0.246076 0.298220 0.654011 O\n0.790245 0.700974 0.337654 O\n0.538990 0.294064 0.802466 O\n0.483489 0.706473 0.195050 O\n0.138588 0.474337 0.864986 O\n0.890227 0.548545 0.119357 O\n0.169419 0.114983 0.838355 O\n0.833021 0.908780 0.163661 O\n0.317699 0.952077 0.423026 O\n0.704609 0.971750 0.606987 O\n0.286783 0.509082 0.423189 O\n0.718490 0.550963 0.586598 O\n0.735186 0.227011 0.370030 O\n0.217347 0.778545 0.678432 O\n0.303806 0.788839 0.985161 O\n0.708410 0.229080 0.019756 O\n0.773424 0.777102 0.875523 O\n0.219069 0.209165 0.122996 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Mg",
"Zn",
"Cu",
"H",
"S",
"O"
],
"chemical_system": "Cu-H-Mg-O-S-Zn",
"density": 2.9730253733860708,
"density_atomic": 0.10032285738379301,
"volume": 398.71272652230033,
"volume_molar": 6.002760404801695,
"formula_full": "Mg1 Zn3 Cu2 H14 S2 O18",
"formula_reduced": "MgZn3Cu2H14(SO9)2",
"formula_anonymous": "AB2C2D3E14F18",
"energy": -217.3546779,
"energy_per_atom": -5.4338669475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -204.9886779,
"band_gap": 1.3081999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.314000Z",
"spacegroup": 1
},
{
"id": "mp-1179533",
"created_at": "2022-09-04T14:45:23.208582Z",
"structure_string": "Te4 H60 C20 N4 O4 F24\n1.0\n7.064028 0.000000 0.000000\n0.000000 9.053897 0.000000\n0.000000 1.347046 23.062281\nTe H C N O F\n4 60 20 4 4 24\ndirect\n0.742991 0.160451 0.318433 Te\n0.257009 0.839549 0.681567 Te\n0.242991 0.839549 0.181567 Te\n0.757009 0.160451 0.818433 Te\n0.039291 0.631363 0.573344 H\n0.982177 0.573045 0.925416 H\n0.120793 0.814961 0.741423 H\n0.294791 0.089928 0.071819 H\n0.794791 0.910072 0.428181 H\n0.785137 0.902637 0.141613 H\n0.680464 0.594792 0.729063 H\n0.873173 0.412277 0.433458 H\n0.819536 0.594792 0.229063 H\n0.247095 0.024009 0.681693 H\n0.543827 0.174206 0.158278 H\n0.017823 0.426955 0.074584 H\n0.747095 0.975991 0.818307 H\n0.389521 0.321019 0.137609 H\n0.296876 0.741301 0.977096 H\n0.796876 0.258699 0.522904 H\n0.855789 0.467163 0.588178 H\n0.126827 0.587723 0.566542 H\n0.889521 0.678981 0.362391 H\n0.166027 0.118184 0.287816 H\n0.355789 0.532837 0.911822 H\n0.456173 0.825794 0.841722 H\n0.714863 0.902637 0.641613 H\n0.214863 0.097363 0.858387 H\n0.373173 0.587723 0.066542 H\n0.024894 0.861133 0.511954 H\n0.975106 0.138867 0.488046 H\n0.180464 0.405208 0.770937 H\n0.203124 0.741301 0.477096 H\n0.833973 0.881816 0.712184 H\n0.705209 0.910072 0.928181 H\n0.303455 0.583150 0.838604 H\n0.644211 0.467163 0.088178 H\n0.752905 0.975991 0.318307 H\n0.524894 0.138867 0.988046 H\n0.110479 0.321019 0.637609 H\n0.196545 0.583150 0.338604 H\n0.205209 0.089928 0.571819 H\n0.803455 0.416850 0.661396 H\n0.696545 0.416850 0.161396 H\n0.517823 0.573045 0.425416 H\n0.475106 0.861133 0.011954 H\n0.960709 0.368637 0.426656 H\n0.539291 0.368637 0.926656 H\n0.319536 0.405208 0.270937 H\n0.626827 0.412277 0.933458 H\n0.043827 0.825794 0.341722 H\n0.610479 0.678981 0.862391 H\n0.379207 0.814961 0.241423 H\n0.482177 0.426955 0.574584 H\n0.460709 0.631363 0.073344 H\n0.252905 0.024009 0.181693 H\n0.620793 0.185039 0.758577 H\n0.144211 0.532837 0.411822 H\n0.285137 0.097363 0.358387 H\n0.879207 0.185039 0.258577 H\n0.333973 0.118184 0.787816 H\n0.666027 0.881816 0.212184 H\n0.703124 0.258699 0.022904 H\n0.956173 0.174206 0.658278 H\n0.330264 0.151000 0.833001 C\n0.431307 0.804043 0.973726 C\n0.626334 0.328078 0.605272 C\n0.931307 0.195957 0.526274 C\n0.126334 0.671922 0.894728 C\n0.568693 0.195957 0.026274 C\n0.819995 0.372146 0.617696 C\n0.319995 0.627854 0.882304 C\n0.984949 0.260315 0.623842 C\n0.680005 0.372146 0.117696 C\n0.669736 0.849000 0.166999 C\n0.180005 0.627854 0.382304 C\n0.515051 0.260315 0.123842 C\n0.830264 0.849000 0.666999 C\n0.373666 0.671922 0.394728 C\n0.015051 0.739685 0.376158 C\n0.068693 0.804043 0.473726 C\n0.873666 0.328078 0.105272 C\n0.169736 0.151000 0.333001 C\n0.484949 0.739685 0.876158 C\n0.965495 0.811574 0.428788 N\n0.465495 0.188426 0.071212 N\n0.534505 0.811574 0.928788 N\n0.034505 0.188426 0.571212 N\n0.994016 0.857805 0.638080 O\n0.005984 0.142195 0.361920 O\n0.505984 0.857805 0.138080 O\n0.494016 0.142195 0.861920 O\n0.966386 0.131709 0.758266 F\n0.132771 0.480317 0.743434 F\n0.764879 0.690316 0.673708 F\n0.425381 0.792647 0.362262 F\n0.814282 0.985733 0.927453 F\n0.033614 0.868291 0.241734 F\n0.735121 0.690316 0.173708 F\n0.074619 0.792647 0.862262 F\n0.264879 0.309684 0.826292 F\n0.867229 0.519683 0.256566 F\n0.314282 0.014267 0.572547 F\n0.387031 0.511222 0.560369 F\n0.685718 0.985733 0.427453 F\n0.632771 0.519683 0.756566 F\n0.235121 0.309684 0.326292 F\n0.925381 0.207353 0.137738 F\n0.466386 0.868291 0.741734 F\n0.887031 0.488778 0.939631 F\n0.112969 0.511222 0.060369 F\n0.574619 0.207353 0.637738 F\n0.185718 0.014267 0.072547 F\n0.612969 0.488778 0.439631 F\n0.367229 0.480317 0.243434 F\n0.533614 0.131709 0.258266 F\n",
"nsites": 116,
"nelements": 6,
"elements": [
"Te",
"H",
"C",
"N",
"O",
"F"
],
"chemical_system": "C-F-H-N-O-Te",
"density": 1.5615621837120237,
"density_atomic": 0.0786443936304929,
"volume": 1474.9938888844476,
"volume_molar": 7.657431740518916,
"formula_full": "Te4 H60 C20 N4 O4 F24",
"formula_reduced": "TeH15C5NOF6",
"formula_anonymous": "ABCD5E6F15",
"energy": -576.2154408099999,
"energy_per_atom": -4.9673744897413785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -559.24744081,
"band_gap": 2.1588000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.773000Z",
"spacegroup": 14
},
{
"id": "mp-760236",
"created_at": "2022-09-04T14:45:14.814732Z",
"structure_string": "Li6 V3 Cr3 P6 O24 F6\n1.0\n5.222091 0.000000 0.000000\n-2.340174 6.959891 0.000000\n-0.680607 -1.299238 14.910910\nLi V Cr P O F\n6 3 3 6 24 6\ndirect\n0.769087 0.849948 0.037968 Li\n0.564287 0.482711 0.294786 Li\n0.230913 0.150052 0.962032 Li\n0.435713 0.517289 0.705214 Li\n0.101630 0.182374 0.371540 Li\n0.898370 0.817626 0.628460 Li\n0.833458 0.333069 0.833225 V\n0.500000 0.500000 0.500000 V\n0.166542 0.666931 0.166775 V\n0.833706 0.833506 0.833104 Cr\n0.500000 0.000000 0.500000 Cr\n0.166294 0.166494 0.166896 Cr\n0.723032 0.283896 0.047591 P\n0.609436 0.048966 0.286345 P\n0.390564 0.951034 0.713655 P\n0.276968 0.716104 0.952409 P\n0.057800 0.619055 0.380251 P\n0.942200 0.380945 0.619749 P\n0.823503 0.179281 0.570929 O\n0.694090 0.044028 0.386746 O\n0.596393 0.834959 0.721787 O\n0.490505 0.846200 0.237826 O\n0.639936 0.291157 0.947370 O\n0.785659 0.502624 0.417246 O\n0.740467 0.500103 0.611953 O\n0.451545 0.167453 0.084208 O\n0.509495 0.153800 0.762174 O\n0.403607 0.165041 0.278213 O\n0.305910 0.955972 0.613254 O\n0.548455 0.832547 0.915792 O\n0.119120 0.834956 0.750543 O\n0.360064 0.708843 0.052630 O\n0.259533 0.499897 0.388047 O\n0.157747 0.512896 0.904368 O\n0.214341 0.497376 0.582754 O\n0.929387 0.168295 0.055340 O\n0.880880 0.165044 0.249457 O\n0.028270 0.374733 0.719630 O\n0.176497 0.820719 0.429071 O\n0.070613 0.831705 0.944660 O\n0.971730 0.625267 0.280370 O\n0.842253 0.487104 0.095632 O\n0.680370 0.550472 0.809572 F\n0.652485 0.791534 0.523606 F\n0.347515 0.208466 0.476394 F\n0.319630 0.449528 0.190428 F\n0.013108 0.883784 0.142832 F\n0.986892 0.116216 0.857168 F\n",
"nsites": 48,
"nelements": 6,
"elements": [
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"V",
"Cr",
"P",
"O",
"F"
],
"chemical_system": "Cr-F-Li-O-P-V",
"density": 3.169093890900434,
"density_atomic": 0.08857072810045014,
"volume": 541.939769825106,
"volume_molar": 6.799244952768311,
"formula_full": "Li6 V3 Cr3 P6 O24 F6",
"formula_reduced": "Li2VCrP2(O4F)2",
"formula_anonymous": "ABC2D2E2F8",
"energy": -364.88219606,
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"updated_at": "2021-11-28T01:36:58.474000Z",
"spacegroup": 2
},
{
"id": "mp-1233463",
"created_at": "2022-09-04T14:45:14.664496Z",
"structure_string": "La2 Mg1 Co2 Sb2 Pb2 O12\n1.0\n5.781898 0.039830 -0.131794\n0.051075 6.478179 0.472353\n-0.173087 0.629130 8.601835\nLa Mg Co Sb Pb O\n2 1 2 2 2 12\ndirect\n0.488974 0.432795 0.789254 La\n0.016046 0.081683 0.227621 La\n0.977263 0.762710 0.583593 Mg\n0.044280 0.352123 0.484127 Co\n0.519829 0.000738 0.031301 Co\n0.958371 0.581769 0.030528 Sb\n0.511655 0.999423 0.493995 Sb\n0.484397 0.599572 0.277858 Pb\n0.035686 0.084829 0.823478 Pb\n0.619034 0.951178 0.271753 O\n0.093111 0.472179 0.673803 O\n0.457659 0.098423 0.698414 O\n0.912028 0.461336 0.257116 O\n0.226877 0.838722 0.441720 O\n0.635443 0.706081 0.995084 O\n0.848974 0.092847 0.505703 O\n0.277998 0.227533 0.991130 O\n0.323485 0.248761 0.388575 O\n0.766501 0.213268 0.972896 O\n0.642000 0.711809 0.586557 O\n0.148484 0.821805 0.083826 O\n",
"nsites": 21,
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"elements": [
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"Co",
"Sb",
"Pb",
"O"
],
"chemical_system": "Co-La-Mg-O-Pb-Sb",
"density": 6.583531473645485,
"density_atomic": 0.06556336806832026,
"volume": 320.3008115464258,
"volume_molar": 9.185221774641949,
"formula_full": "La2 Mg1 Co2 Sb2 Pb2 O12",
"formula_reduced": "La2MgCo2Sb2(PbO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -145.71642055,
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"updated_at": "2021-11-28T01:36:58.848000Z",
"spacegroup": 1
},
{
"id": "mp-720999",
"created_at": "2022-09-04T14:45:14.538366Z",
"structure_string": "Ca2 Mg2 U2 H48 C6 O46\n1.0\n14.790463 0.000000 0.000000\n0.000000 6.490482 0.000000\n0.000000 1.888019 11.060418\nCa Mg U H C O\n2 2 2 48 6 46\ndirect\n0.250000 0.220416 0.586439 Ca\n0.750000 0.779584 0.413561 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.449113 0.220303 U\n0.750000 0.550887 0.779697 U\n0.250000 0.901468 0.404826 H\n0.750000 0.098532 0.595174 H\n0.250000 0.761370 0.533318 H\n0.750000 0.238630 0.466682 H\n0.250000 0.895269 0.808247 H\n0.750000 0.104731 0.191753 H\n0.250000 0.091093 0.866959 H\n0.750000 0.908907 0.133041 H\n0.449398 0.166575 0.557255 H\n0.949398 0.833425 0.442745 H\n0.550602 0.833425 0.442745 H\n0.050602 0.166575 0.557255 H\n0.441056 0.935918 0.621084 H\n0.941056 0.064082 0.378916 H\n0.558944 0.064082 0.378916 H\n0.058944 0.935918 0.621084 H\n0.330610 0.528315 0.730916 H\n0.830610 0.471685 0.269084 H\n0.669390 0.471685 0.269084 H\n0.169390 0.528315 0.730916 H\n0.405419 0.553300 0.627856 H\n0.905419 0.446700 0.372144 H\n0.594581 0.446700 0.372144 H\n0.094581 0.553300 0.627856 H\n0.416353 0.653628 0.946620 H\n0.916353 0.346372 0.053380 H\n0.583647 0.346372 0.053380 H\n0.083647 0.653628 0.946620 H\n0.506757 0.676526 0.863105 H\n0.006757 0.323474 0.136895 H\n0.493243 0.323474 0.136895 H\n0.993243 0.676526 0.863105 H\n0.478509 0.676067 0.195559 H\n0.978509 0.323933 0.804441 H\n0.521491 0.323933 0.804441 H\n0.021491 0.676067 0.195559 H\n0.534503 0.862491 0.240348 H\n0.034503 0.137509 0.759652 H\n0.465497 0.137509 0.759652 H\n0.965497 0.862491 0.240348 H\n0.334987 0.000445 0.100025 H\n0.834987 0.999555 0.899975 H\n0.665013 0.999555 0.899975 H\n0.165013 0.000445 0.100025 H\n0.350744 0.202557 0.007566 H\n0.850744 0.797443 0.992434 H\n0.649256 0.797443 0.992434 H\n0.149256 0.202557 0.007566 H\n0.250000 0.547143 0.955085 C\n0.750000 0.452857 0.044915 C\n0.418870 0.364216 0.354488 C\n0.918870 0.635784 0.645512 C\n0.581130 0.635784 0.645512 C\n0.081130 0.364216 0.354488 C\n0.250000 0.726944 0.228457 O\n0.750000 0.273056 0.771543 O\n0.250000 0.171113 0.209664 O\n0.750000 0.828887 0.790336 O\n0.324640 0.509920 0.018335 O\n0.824640 0.490080 0.981665 O\n0.675360 0.490080 0.981665 O\n0.175360 0.509920 0.018335 O\n0.250000 0.612379 0.841869 O\n0.750000 0.387621 0.158131 O\n0.418619 0.432969 0.237067 O\n0.918619 0.567031 0.762933 O\n0.581381 0.567031 0.762933 O\n0.081381 0.432969 0.237067 O\n0.338829 0.360793 0.404074 O\n0.838829 0.639207 0.595926 O\n0.661171 0.639207 0.595926 O\n0.161171 0.360793 0.404074 O\n0.489914 0.304946 0.414182 O\n0.989914 0.695054 0.585818 O\n0.510086 0.695054 0.585818 O\n0.010086 0.304946 0.414182 O\n0.250000 0.906355 0.491330 O\n0.750000 0.093645 0.508670 O\n0.250000 0.049525 0.788151 O\n0.750000 0.950475 0.211849 O\n0.420577 0.077065 0.628027 O\n0.920577 0.922935 0.371973 O\n0.579423 0.922935 0.371973 O\n0.079423 0.077065 0.628027 O\n0.345364 0.492555 0.651519 O\n0.845364 0.507445 0.348481 O\n0.654636 0.507445 0.348481 O\n0.154636 0.492555 0.651519 O\n0.467825 0.745847 0.916214 O\n0.967825 0.254153 0.083786 O\n0.532175 0.254153 0.083786 O\n0.032175 0.745847 0.916214 O\n0.504252 0.816976 0.169512 O\n0.004252 0.183024 0.830488 O\n0.495748 0.183024 0.830488 O\n0.995748 0.816976 0.169512 O\n0.359730 0.050502 0.019284 O\n0.859730 0.949498 0.980716 O\n0.640270 0.949498 0.980716 O\n0.140270 0.050502 0.019284 O\n",
"nsites": 106,
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"elements": [
"Ca",
"Mg",
"U",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-Mg-O-U",
"density": 2.28528751899079,
"density_atomic": 0.09983334109473138,
"volume": 1061.769533480975,
"volume_molar": 6.03219394839808,
"formula_full": "Ca2 Mg2 U2 H48 C6 O46",
"formula_reduced": "CaMgUH24C3O23",
"formula_anonymous": "ABCD3E23F24",
"energy": -656.75060175,
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}