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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=3",
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"results": [
{
"id": "mp-1201374",
"created_at": "2022-09-04T14:47:36.915738Z",
"structure_string": "Cs4 Ca2 Ag4 H8 C12 S12 N12 O4\n1.0\n8.338912 0.000000 0.000000\n0.000000 19.350501 0.000000\n-0.048109 0.000000 8.155751\nCs Ca Ag H C S N O\n4 2 4 8 12 12 12 4\ndirect\n0.752055 0.882738 0.977309 Cs\n0.247945 0.382738 0.522691 Cs\n0.247945 0.117262 0.022691 Cs\n0.752055 0.617262 0.477309 Cs\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.271323 0.782704 0.014888 Ag\n0.728677 0.282704 0.485112 Ag\n0.728677 0.217296 0.985112 Ag\n0.271323 0.717296 0.514888 Ag\n0.663297 0.954901 0.526767 H\n0.336703 0.454901 0.973233 H\n0.336703 0.045099 0.473233 H\n0.663297 0.545099 0.026767 H\n0.662564 0.023299 0.629027 H\n0.337436 0.523299 0.870973 H\n0.337436 0.976701 0.370973 H\n0.662564 0.476701 0.129027 H\n0.185251 0.939419 0.870258 C\n0.814749 0.439419 0.629742 C\n0.814749 0.060581 0.129742 C\n0.185251 0.560581 0.370258 C\n0.016621 0.673243 0.862497 C\n0.983379 0.173243 0.637503 C\n0.983379 0.326757 0.137503 C\n0.016621 0.826757 0.362497 C\n0.524131 0.653114 0.960897 C\n0.475869 0.153114 0.539103 C\n0.475869 0.346886 0.039103 C\n0.524131 0.846886 0.460897 C\n0.297969 0.914589 0.025199 S\n0.702031 0.414589 0.474801 S\n0.702031 0.085411 0.974801 S\n0.297969 0.585411 0.525199 S\n0.063453 0.750752 0.796719 S\n0.936547 0.250752 0.703281 S\n0.936547 0.249248 0.203281 S\n0.063453 0.749248 0.296719 S\n0.523656 0.718812 0.089662 S\n0.476344 0.218812 0.410338 S\n0.476344 0.281188 0.910338 S\n0.523656 0.781188 0.589662 S\n0.102515 0.960090 0.762099 N\n0.897485 0.460090 0.737901 N\n0.897485 0.039910 0.237901 N\n0.102515 0.539910 0.262099 N\n0.980192 0.616966 0.904788 N\n0.019808 0.116966 0.595212 N\n0.019808 0.383034 0.095212 N\n0.980192 0.883034 0.404788 N\n0.529757 0.603806 0.874365 N\n0.470243 0.103806 0.625635 N\n0.470243 0.396194 0.125635 N\n0.529757 0.896194 0.374365 N\n0.729572 0.983602 0.600333 O\n0.270428 0.483602 0.899667 O\n0.270428 0.016398 0.399667 O\n0.729572 0.516398 0.100333 O\n",
"nsites": 58,
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"elements": [
"Cs",
"Ca",
"Ag",
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "Ag-C-Ca-Cs-H-N-O-S",
"density": 2.2867240101699666,
"density_atomic": 0.04407196667914833,
"volume": 1316.0293122893788,
"volume_molar": 13.664334073952823,
"formula_full": "Cs4 Ca2 Ag4 H8 C12 S12 N12 O4",
"formula_reduced": "Cs2CaAg2H4C6S6(N3O)2",
"formula_anonymous": "AB2C2D2E4F6G6H6",
"energy": -363.03075768,
"energy_per_atom": -6.259150994482759,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -349.91475768,
"band_gap": 3.2679,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2209889,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.969000Z",
"spacegroup": 14
},
{
"id": "mp-707264",
"created_at": "2022-09-04T14:48:01.847092Z",
"structure_string": "Na2 Ca6 U2 H32 C6 S2 O50 F2\n1.0\n9.642562 0.000000 0.000000\n4.790660 8.374851 0.000000\n0.876191 0.094204 14.234581\nNa Ca U H C S O F\n2 6 2 32 6 2 50 2\ndirect\n0.980972 0.999599 0.712532 Na\n0.019028 0.000401 0.287468 Na\n0.662221 0.888339 0.769050 Ca\n0.337779 0.111661 0.230950 Ca\n0.855349 0.426661 0.773018 Ca\n0.144651 0.573339 0.226982 Ca\n0.396906 0.693435 0.781142 Ca\n0.603094 0.306565 0.218858 Ca\n0.300254 0.335817 0.818321 U\n0.699746 0.664183 0.181679 U\n0.750456 0.949527 0.566650 H\n0.249544 0.050473 0.433350 H\n0.692227 0.112175 0.612138 H\n0.307773 0.887825 0.387862 H\n0.943074 0.296740 0.566946 H\n0.056926 0.703260 0.433054 H\n0.102069 0.192742 0.613230 H\n0.897931 0.807258 0.386770 H\n0.285362 0.761140 0.572082 H\n0.714638 0.238860 0.427918 H\n0.178175 0.699313 0.616359 H\n0.821825 0.300687 0.383641 H\n0.803464 0.477725 0.984472 H\n0.196536 0.522275 0.015528 H\n0.926472 0.293507 0.967682 H\n0.073528 0.706493 0.032318 H\n0.470578 0.691208 0.980975 H\n0.529422 0.308792 0.019025 H\n0.317065 0.669194 0.996065 H\n0.682935 0.330806 0.003935 H\n0.630659 0.005387 0.412770 H\n0.369341 0.994613 0.587230 H\n0.678840 0.832749 0.454553 H\n0.321160 0.167251 0.545447 H\n0.013609 0.373724 0.412910 H\n0.986391 0.626276 0.587090 H\n0.835791 0.490985 0.452090 H\n0.164209 0.509015 0.547910 H\n0.377653 0.623388 0.412519 H\n0.622347 0.376612 0.587481 H\n0.491516 0.678005 0.455170 H\n0.508484 0.321995 0.544830 H\n0.041820 0.663369 0.809464 C\n0.958180 0.336631 0.190536 C\n0.629713 0.264366 0.801837 C\n0.370287 0.735634 0.198163 C\n0.233231 0.077844 0.805984 C\n0.766769 0.922156 0.194016 C\n0.653692 0.668537 0.611321 S\n0.346308 0.331463 0.388679 S\n0.287365 0.342828 0.948619 O\n0.712635 0.657172 0.051381 O\n0.311270 0.335649 0.690686 O\n0.688730 0.664351 0.309314 O\n0.017911 0.540441 0.813354 O\n0.982089 0.459559 0.186646 O\n0.192284 0.624265 0.814864 O\n0.807716 0.375735 0.185136 O\n0.930516 0.806449 0.801159 O\n0.069484 0.193551 0.198841 O\n0.508346 0.409770 0.810784 O\n0.491654 0.590230 0.189216 O\n0.588756 0.153001 0.812662 O\n0.411244 0.846999 0.187338 O\n0.771849 0.233150 0.783434 O\n0.228151 0.766850 0.216566 O\n0.379083 0.054162 0.810244 O\n0.620917 0.945838 0.189756 O\n0.121332 0.228123 0.816191 O\n0.878668 0.771877 0.183809 O\n0.202488 0.967789 0.792090 O\n0.797512 0.032211 0.207910 O\n0.629592 0.535274 0.649995 O\n0.370408 0.464726 0.350005 O\n0.517796 0.823348 0.647864 O\n0.482204 0.176652 0.352136 O\n0.805360 0.648668 0.647821 O\n0.194640 0.351332 0.352179 O\n0.662216 0.667764 0.507208 O\n0.337784 0.332236 0.492792 O\n0.744349 0.995475 0.628433 O\n0.255651 0.004525 0.371567 O\n0.984823 0.253835 0.629393 O\n0.015177 0.746165 0.370607 O\n0.234632 0.757077 0.633617 O\n0.765368 0.242923 0.366383 O\n0.644197 0.927817 0.950570 O\n0.355803 0.072183 0.049430 O\n0.827013 0.383737 0.946914 O\n0.172987 0.616263 0.053086 O\n0.381364 0.695633 0.949598 O\n0.618636 0.304367 0.050402 O\n0.714938 0.912443 0.445774 O\n0.285062 0.087557 0.554226 O\n0.917573 0.377298 0.444367 O\n0.082427 0.622702 0.555633 O\n0.378401 0.711259 0.445640 O\n0.621599 0.288741 0.554360 O\n0.971026 0.958398 0.990655 O\n0.028974 0.041602 0.009345 O\n0.638512 0.671015 0.822462 F\n0.361488 0.328985 0.177538 F\n",
"nsites": 102,
"nelements": 8,
"elements": [
"Na",
"Ca",
"U",
"H",
"C",
"S",
"O",
"F"
],
"chemical_system": "C-Ca-F-H-Na-O-S-U",
"density": 2.555307571635801,
"density_atomic": 0.0887331613428973,
"volume": 1149.513873464226,
"volume_molar": 6.786798383896468,
"formula_full": "Na2 Ca6 U2 H32 C6 S2 O50 F2",
"formula_reduced": "NaCa3UH16C3SO25F",
"formula_anonymous": "ABCDE3F3G16H25",
"energy": -655.9864022,
"energy_per_atom": -6.4312392372549025,
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"energy_uncorrected": -620.7124022,
"band_gap": 0.4796999999999999,
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"total_magnetization": 6.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.154000Z",
"spacegroup": 2
},
{
"id": "mp-1221086",
"created_at": "2022-09-04T14:44:55.483888Z",
"structure_string": "Na1 Mg3 V3 Cr3 Si6 B3 H3 O31\n1.0\n7.617341 0.000000 0.000000\n-2.532856 9.457648 0.000000\n-2.563426 -4.712186 8.219447\nNa Mg V Cr Si B H O\n1 3 3 3 6 3 3 31\ndirect\n0.770571 0.999876 0.000022 Na\n0.423191 0.769673 0.337935 Mg\n0.091742 0.664942 0.434811 Mg\n0.426603 0.336564 0.771678 Mg\n0.423195 0.997276 0.191574 V\n0.239090 0.812807 0.807494 V\n0.408238 0.182234 0.999699 V\n0.654653 0.563779 0.227583 Cr\n0.653000 0.227219 0.563626 Cr\n0.093271 0.439234 0.664419 Cr\n0.000498 0.813695 0.187778 Si\n0.815061 0.808158 0.622622 Si\n0.186558 0.377296 0.184343 Si\n0.001556 0.188219 0.814088 Si\n0.187349 0.185481 0.376475 Si\n0.815270 0.623288 0.807093 Si\n0.432287 0.670129 0.999328 B\n0.437436 0.001290 0.669681 B\n0.758519 0.331098 0.329056 B\n0.742912 0.002572 0.386490 H\n0.356814 0.611828 0.614716 H\n0.739289 0.381429 0.003472 H\n0.004541 0.999886 0.270624 O\n0.734882 0.728039 0.727393 O\n0.003584 0.269603 0.997836 O\n0.616991 0.006120 0.389833 O\n0.227417 0.608389 0.614055 O\n0.611984 0.381167 0.006034 O\n0.842578 0.725128 0.996219 O\n0.840489 0.998531 0.722739 O\n0.118333 0.270427 0.269736 O\n0.247300 0.016303 0.004644 O\n0.222853 0.828812 0.198267 O\n0.028958 0.801092 0.631977 O\n0.397058 0.371197 0.168241 O\n0.225266 0.197547 0.830992 O\n0.399779 0.174067 0.379541 O\n0.028622 0.626969 0.796899 O\n0.920903 0.716582 0.274378 O\n0.653931 0.717586 0.436847 O\n0.207572 0.558126 0.278548 O\n0.929677 0.279020 0.716568 O\n0.202894 0.281994 0.559261 O\n0.653446 0.437755 0.718111 O\n0.508496 0.677073 0.145312 O\n0.359117 0.856297 0.534183 O\n0.820868 0.474073 0.329766 O\n0.510202 0.149253 0.677876 O\n0.825683 0.325431 0.471757 O\n0.347350 0.526367 0.854639 O\n0.439260 0.817212 0.998730 O\n0.445427 0.007274 0.821603 O\n0.624686 0.184594 0.183403 O\n",
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"elements": [
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"Mg",
"V",
"Cr",
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],
"chemical_system": "B-Cr-H-Mg-Na-O-Si-V",
"density": 3.097790459890984,
"density_atomic": 0.08950488239030431,
"volume": 592.1464682661967,
"volume_molar": 6.72828185365266,
"formula_full": "Na1 Mg3 V3 Cr3 Si6 B3 H3 O31",
"formula_reduced": "NaMg3V3Cr3Si6B3H3O31",
"formula_anonymous": "AB3C3D3E3F3G6H31",
"energy": -426.11160007,
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"updated_at": "2021-11-28T01:36:47.147000Z",
"spacegroup": 1
},
{
"id": "mp-863003",
"created_at": "2022-09-04T14:39:28.127261Z",
"structure_string": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1\n1.0\n5.234752 -8.037285 0.000000\n5.234752 8.037285 0.000000\n-7.105459 0.000000 6.443060\nNa Al Fe Si B H O F\n1 6 3 6 3 3 30 1\ndirect\n0.219193 0.219193 0.219193 Na\n0.906405 0.572860 0.349263 Al\n0.349263 0.906405 0.572860 Al\n0.572860 0.349263 0.906405 Al\n0.349263 0.572860 0.906405 Al\n0.906405 0.349263 0.572860 Al\n0.572860 0.906405 0.349263 Al\n0.576693 0.743648 0.576693 Fe\n0.576693 0.576693 0.743648 Fe\n0.743648 0.576693 0.576693 Fe\n0.187735 0.994072 0.805322 Si\n0.805322 0.187735 0.994072 Si\n0.994072 0.805322 0.187735 Si\n0.805322 0.994072 0.187735 Si\n0.187735 0.805322 0.994072 Si\n0.994072 0.187735 0.805322 Si\n0.560193 0.226575 0.560193 B\n0.560193 0.560193 0.226575 B\n0.226575 0.560193 0.560193 B\n0.245066 0.642834 0.245066 H\n0.245066 0.245066 0.642834 H\n0.642834 0.245066 0.245066 H\n0.528304 0.342087 0.528303 O\n0.528304 0.528304 0.342087 O\n0.342087 0.528304 0.528304 O\n0.375594 0.781934 0.375594 O\n0.375594 0.375594 0.781934 O\n0.781934 0.375594 0.375594 O\n0.160213 0.880705 0.160213 O\n0.160213 0.160213 0.880705 O\n0.880705 0.160213 0.160213 O\n0.993169 0.273166 0.993169 O\n0.993169 0.993169 0.273166 O\n0.273166 0.993169 0.993169 O\n0.969220 0.765451 0.585356 O\n0.585356 0.969220 0.765451 O\n0.765451 0.585356 0.969220 O\n0.585356 0.765451 0.969220 O\n0.969220 0.585356 0.765451 O\n0.765451 0.969220 0.585356 O\n0.364178 0.078736 0.793006 O\n0.793006 0.364178 0.078736 O\n0.078736 0.793006 0.364178 O\n0.793006 0.078736 0.364178 O\n0.364178 0.793006 0.078736 O\n0.078736 0.364178 0.793006 O\n0.651842 0.502606 0.168369 O\n0.168369 0.651842 0.502606 O\n0.502606 0.168369 0.651842 O\n0.168369 0.502606 0.651842 O\n0.651842 0.168369 0.502606 O\n0.502606 0.651842 0.168369 O\n0.849422 0.849422 0.849422 F\n",
"nsites": 53,
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"elements": [
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"Si",
"B",
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"F"
],
"chemical_system": "Al-B-F-Fe-H-Na-O-Si",
"density": 3.232390442334303,
"density_atomic": 0.0977570794302541,
"volume": 542.160223166379,
"volume_molar": 6.160311657322541,
"formula_full": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1",
"formula_reduced": "NaAl6Fe3Si6B3H3O30F",
"formula_anonymous": "ABC3D3E3F6G6H30",
"energy": -415.61433921,
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"updated_at": "2021-11-28T01:34:41.182000Z",
"spacegroup": 160
},
{
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}