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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=44",
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"results": [
{
"id": "mp-684853",
"created_at": "2022-09-04T14:41:27.824282Z",
"structure_string": "Ba2 Yb2 Al4 Si3 N10 O4\n1.0\n6.807299 0.000000 0.000000\n-3.016467 6.519538 0.000000\n-0.295941 -1.788352 8.049037\nBa Yb Al Si N O\n2 2 4 3 10 4\ndirect\n0.613857 0.318099 0.154511 Ba\n0.413548 0.760617 0.613435 Ba\n0.653503 0.298204 0.807020 Yb\n0.178858 0.559045 0.209240 Yb\n0.839790 0.172921 0.459618 Al\n0.089296 0.770972 0.913813 Al\n0.545692 0.821601 0.040716 Al\n0.185035 0.385192 0.845923 Al\n0.876348 0.607436 0.500144 Si\n0.963967 0.928620 0.197597 Si\n0.431539 0.283757 0.499088 Si\n0.977434 0.774836 0.348987 N\n0.437622 0.532177 0.008652 N\n0.998741 0.496861 0.948427 N\n0.202892 0.894181 0.382590 N\n0.234931 0.087390 0.338207 N\n0.391647 0.936352 0.940662 N\n0.755555 0.999846 0.233407 N\n0.991755 0.440176 0.434740 N\n0.596367 0.513442 0.452111 N\n0.936323 0.151019 0.690808 N\n0.972701 0.732419 0.696395 O\n0.582470 0.158242 0.536115 O\n0.780722 0.040818 0.780273 O\n0.349406 0.335778 0.679419 O\n",
"nsites": 25,
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"elements": [
"Ba",
"Yb",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Ba-N-O-Si-Yb",
"density": 4.72744487906436,
"density_atomic": 0.06998491462731418,
"volume": 357.2198399202281,
"volume_molar": 8.604912633057124,
"formula_full": "Ba2 Yb2 Al4 Si3 N10 O4",
"formula_reduced": "Ba2Yb2Al4Si3(N5O2)2",
"formula_anonymous": "A2B2C3D4E4F10",
"energy": -173.58254246,
"energy_per_atom": -6.943301698400001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -167.22454246,
"band_gap": 0.1328000000000004,
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"is_magnetic": true,
"total_magnetization": 1.999679,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.025000Z",
"spacegroup": 1
},
{
"id": "mp-1351227",
"created_at": "2022-09-04T14:40:24.248352Z",
"structure_string": "Na1 Al1 H22 C10 N2 O12\n1.0\n-8.251710 0.000000 0.000000\n3.811326 7.681365 0.000000\n-0.241195 -4.657922 -8.073214\nNa Al H C N O\n1 1 22 10 2 12\ndirect\n0.026102 0.027910 0.026446 Na\n0.494624 0.478620 0.501172 Al\n0.153296 0.727152 0.612879 H\n0.391099 0.771012 0.954022 H\n0.844801 0.667035 0.367209 H\n0.190608 0.215671 0.338698 H\n0.354913 0.809254 0.319186 H\n0.669618 0.174743 0.654675 H\n0.809221 0.685509 0.748544 H\n0.209761 0.353666 0.695742 H\n0.700157 0.592714 0.051803 H\n0.889847 0.163207 0.346444 H\n0.467000 0.195452 0.098084 H\n0.897092 0.548256 0.170397 H\n0.326689 0.945399 0.648316 H\n0.534923 0.766960 0.794293 H\n0.684150 0.404253 0.223938 H\n0.263310 0.553373 0.919543 H\n0.837404 0.376260 0.003140 H\n0.918598 0.058387 0.566277 H\n0.147886 0.686264 0.913635 H\n0.553881 0.118275 0.006351 H\n0.697768 0.077859 0.436977 H\n0.890138 0.280225 0.463978 H\n0.259750 0.795446 0.698647 C\n0.268096 0.697727 0.879070 C\n0.315330 0.249578 0.297422 C\n0.753688 0.755523 0.296397 C\n0.238014 0.685139 0.300070 C\n0.758880 0.285129 0.709553 C\n0.249993 0.231677 0.728252 C\n0.669593 0.677662 0.738800 C\n0.718159 0.370457 0.031449 C\n0.848462 0.144995 0.452963 C\n0.571814 0.212465 0.052705 N\n0.750082 0.481391 0.125888 N\n0.300340 0.185600 0.194558 O\n0.789264 0.888951 0.167360 O\n0.468527 0.355030 0.360642 O\n0.615619 0.709006 0.357142 O\n0.087060 0.707425 0.204314 O\n0.265541 0.528185 0.377431 O\n0.721699 0.439560 0.632858 O\n0.885497 0.256730 0.834218 O\n0.364187 0.257890 0.648666 O\n0.527266 0.615627 0.641359 O\n0.185838 0.082389 0.835659 O\n0.664318 0.765565 0.824534 O\n",
"nsites": 48,
"nelements": 6,
"elements": [
"Na",
"Al",
"H",
"C",
"N",
"O"
],
"chemical_system": "Al-C-H-N-Na-O",
"density": 1.3377982310286767,
"density_atomic": 0.09380206815946514,
"volume": 511.7157962700691,
"volume_molar": 6.420051154695498,
"formula_full": "Na1 Al1 H22 C10 N2 O12",
"formula_reduced": "NaAlH22C10(NO6)2",
"formula_anonymous": "ABC2D10E12F22",
"energy": -143.89391602,
"energy_per_atom": -2.9977899170833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -137.59191602,
"band_gap": 0.0267,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0065626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.714000Z",
"spacegroup": 1
},
{
"id": "mp-1216219",
"created_at": "2022-09-04T14:41:31.329110Z",
"structure_string": "Zn3 Cr1 H80 S8 N8 O56\n1.0\n9.612933 0.000000 0.000000\n-4.659365 11.822484 0.000000\n-2.445614 -5.907944 12.514727\nZn Cr H S N O\n3 1 80 8 8 56\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Cr\n0.517698 0.186436 0.078614 H\n0.017761 0.686483 0.078623 H\n0.560836 0.392111 0.578517 H\n0.060979 0.892154 0.578592 H\n0.982239 0.313517 0.921377 H\n0.482302 0.813564 0.921386 H\n0.939021 0.107846 0.421408 H\n0.439164 0.607889 0.421483 H\n0.702717 0.273212 0.169513 H\n0.202912 0.773187 0.169430 H\n0.466563 0.396359 0.669547 H\n0.966580 0.896314 0.669557 H\n0.797088 0.226813 0.830570 H\n0.297283 0.726788 0.830487 H\n0.033420 0.103686 0.330443 H\n0.533437 0.603641 0.330453 H\n0.676939 0.408651 0.410390 H\n0.182016 0.909006 0.412036 H\n0.730002 0.503052 0.912030 H\n0.230034 0.003072 0.912030 H\n0.817984 0.090994 0.587964 H\n0.323061 0.591349 0.589610 H\n0.769966 0.996928 0.087970 H\n0.269998 0.496948 0.087970 H\n0.757516 0.521135 0.378551 H\n0.263257 0.021201 0.380399 H\n0.617195 0.359191 0.880413 H\n0.117229 0.859247 0.880421 H\n0.736743 0.978799 0.619601 H\n0.242484 0.478865 0.621449 H\n0.882771 0.140753 0.119579 H\n0.382805 0.640809 0.119587 H\n0.576454 0.146915 0.178100 H\n0.076474 0.646891 0.178082 H\n0.601497 0.531293 0.678127 H\n0.101577 0.031264 0.678143 H\n0.923526 0.353109 0.821918 H\n0.423546 0.853085 0.821900 H\n0.898423 0.968736 0.321857 H\n0.398503 0.468707 0.321873 H\n0.911066 0.312470 0.559399 H\n0.411824 0.813231 0.559155 H\n0.647664 0.745925 0.059037 H\n0.147698 0.245895 0.059041 H\n0.588176 0.186769 0.440845 H\n0.088934 0.687530 0.440601 H\n0.852302 0.754105 0.940959 H\n0.352336 0.254075 0.940963 H\n0.614555 0.847646 0.401525 H\n0.115535 0.345913 0.400073 H\n0.287009 0.553934 0.901581 H\n0.786930 0.053887 0.901581 H\n0.884465 0.654087 0.599927 H\n0.385445 0.152354 0.598475 H\n0.213070 0.946113 0.098419 H\n0.712991 0.446066 0.098419 H\n0.544594 0.274495 0.207627 H\n0.044037 0.774182 0.207358 H\n0.663009 0.433168 0.707306 H\n0.163077 0.933133 0.707284 H\n0.955963 0.225818 0.792642 H\n0.455406 0.725505 0.792373 H\n0.836923 0.066867 0.292716 H\n0.336991 0.566832 0.292694 H\n0.479478 0.838198 0.311462 H\n0.979656 0.336297 0.309828 H\n0.332180 0.473400 0.811454 H\n0.832082 0.973232 0.811453 H\n0.020344 0.663703 0.690172 H\n0.520522 0.161802 0.688538 H\n0.167918 0.026768 0.188547 H\n0.667820 0.526600 0.188546 H\n0.899357 0.422655 0.645859 H\n0.399875 0.923080 0.645262 H\n0.245328 0.222159 0.145222 H\n0.745284 0.722165 0.145195 H\n0.600125 0.076920 0.354738 H\n0.100643 0.577345 0.354141 H\n0.254716 0.277835 0.854805 H\n0.754672 0.777841 0.854778 H\n0.490755 0.905199 0.132322 S\n0.990707 0.405229 0.132353 S\n0.141462 0.227027 0.632325 S\n0.641698 0.727280 0.632309 S\n0.009293 0.594771 0.867647 S\n0.509245 0.094801 0.867678 S\n0.358302 0.272720 0.367691 S\n0.858538 0.772973 0.367675 S\n0.584571 0.220726 0.158573 N\n0.084702 0.720781 0.158607 N\n0.573935 0.437912 0.658633 N\n0.073974 0.937897 0.658662 N\n0.915298 0.279219 0.841393 N\n0.415429 0.779274 0.841427 N\n0.926026 0.062103 0.341338 N\n0.426065 0.562088 0.341367 N\n0.008800 0.343663 0.383750 O\n0.508274 0.846034 0.385524 O\n0.877265 0.039465 0.885507 O\n0.377280 0.539368 0.885586 O\n0.491726 0.153966 0.614476 O\n0.991200 0.656337 0.616250 O\n0.622720 0.460632 0.114414 O\n0.122735 0.960535 0.114493 O\n0.365060 0.918740 0.068384 O\n0.865191 0.418876 0.068438 O\n0.703337 0.649452 0.568080 O\n0.203100 0.149307 0.568076 O\n0.134809 0.581124 0.931562 O\n0.634940 0.081260 0.931616 O\n0.796900 0.850693 0.431924 O\n0.296663 0.350548 0.431920 O\n0.763411 0.448120 0.385389 O\n0.273450 0.951406 0.391854 O\n0.618525 0.440447 0.891763 O\n0.118540 0.940492 0.891808 O\n0.726550 0.048594 0.608146 O\n0.236589 0.551880 0.614611 O\n0.881460 0.059508 0.108192 O\n0.381475 0.559553 0.108237 O\n0.888147 0.384557 0.569114 O\n0.386454 0.884006 0.568294 O\n0.681635 0.684160 0.068381 O\n0.181612 0.184130 0.068394 O\n0.613546 0.115994 0.431706 O\n0.111853 0.615443 0.430886 O\n0.818388 0.815870 0.931606 O\n0.318365 0.315840 0.931619 O\n0.605810 0.029362 0.224416 O\n0.105755 0.529456 0.224634 O\n0.118025 0.194726 0.724358 O\n0.618795 0.695153 0.724417 O\n0.894245 0.470544 0.775366 O\n0.394190 0.970638 0.775584 O\n0.381205 0.304847 0.275583 O\n0.881975 0.805274 0.275642 O\n0.420738 0.811465 0.175329 O\n0.920794 0.311475 0.175279 O\n0.254484 0.363462 0.675430 O\n0.754560 0.863908 0.675259 O\n0.079206 0.688525 0.824721 O\n0.579262 0.188535 0.824671 O\n0.245440 0.136092 0.324741 O\n0.745516 0.636538 0.324570 O\n0.581899 0.863966 0.064054 O\n0.081961 0.364147 0.064125 O\n0.982437 0.200426 0.564249 O\n0.483001 0.700588 0.563988 O\n0.918039 0.635853 0.935875 O\n0.418101 0.136034 0.935946 O\n0.516999 0.299412 0.436012 O\n0.017563 0.799574 0.435751 O\n",
"nsites": 156,
"nelements": 6,
"elements": [
"Zn",
"Cr",
"H",
"S",
"N",
"O"
],
"chemical_system": "Cr-H-N-O-S-Zn",
"density": 1.8603189774526925,
"density_atomic": 0.10968280988853732,
"volume": 1422.2830374106159,
"volume_molar": 5.490505546055816,
"formula_full": "Zn3 Cr1 H80 S8 N8 O56",
"formula_reduced": "Zn3CrH80S8(NO7)8",
"formula_anonymous": "AB3C8D8E56F80",
"energy": -864.01267921,
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"updated_at": "2021-11-28T01:35:32.160000Z",
"spacegroup": 2
},
{
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