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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-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": [
"Na",
"Al",
"Fe",
"Si",
"B",
"H",
"O",
"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,
"energy_per_atom": -7.84177998509434,
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"energy_uncorrected": -387.77433921,
"band_gap": 0.7949000000000002,
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"is_magnetic": true,
"total_magnetization": 11.9997704,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.182000Z",
"spacegroup": 160
},
{
"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": [
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"Ca",
"U",
"H",
"C",
"S",
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"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,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.154000Z",
"spacegroup": 2
},
{
"id": "mp-1214950",
"created_at": "2022-09-04T14:43:39.831600Z",
"structure_string": "Ba2 Na1 Ce2 Ti2 Fe1 Si8 H1 O27\n1.0\n4.967407 4.900220 -1.804100\n4.967407 -4.900220 -1.804100\n0.066024 0.000000 -11.877285\nBa Na Ce Ti Fe Si H O\n2 1 2 2 1 8 1 27\ndirect\n0.700100 0.812162 0.504501 Ba\n0.187838 0.299900 0.495499 Ba\n0.000569 0.999431 0.000000 Na\n0.508772 0.174334 0.962196 Ce\n0.825666 0.491228 0.037804 Ce\n0.635249 0.264169 0.628246 Ti\n0.735831 0.364751 0.371754 Ti\n0.327581 0.672419 0.000000 Fe\n0.858930 0.889680 0.794154 Si\n0.110320 0.141070 0.205846 Si\n0.905275 0.480808 0.742321 Si\n0.519192 0.094725 0.257679 Si\n0.302723 0.938555 0.746810 Si\n0.061445 0.697277 0.253190 Si\n0.476986 0.716135 0.223747 Si\n0.283865 0.523014 0.776253 Si\n0.143298 0.856702 0.500000 H\n0.426389 0.100782 0.635494 O\n0.899218 0.573611 0.364506 O\n0.708281 0.061715 0.759844 O\n0.938285 0.291719 0.240156 O\n0.816131 0.183869 0.500000 O\n0.834722 0.708438 0.736022 O\n0.291562 0.165278 0.263978 O\n0.154169 0.545684 0.905185 O\n0.454316 0.845831 0.094815 O\n0.529760 0.470240 0.000000 O\n0.078282 0.979191 0.730604 O\n0.020809 0.921718 0.269396 O\n0.385636 0.735434 0.704793 O\n0.264566 0.614364 0.295207 O\n0.564853 0.168683 0.366339 O\n0.831317 0.435147 0.633661 O\n0.524653 0.855666 0.305575 O\n0.144334 0.475347 0.694425 O\n0.822078 0.811203 0.938225 O\n0.188797 0.177922 0.061775 O\n0.553844 0.446156 0.500000 O\n0.843415 0.334723 0.874583 O\n0.665277 0.156585 0.125417 O\n0.455986 0.361554 0.776212 O\n0.638446 0.544014 0.223788 O\n0.316485 0.939255 0.880167 O\n0.060745 0.683515 0.119833 O\n",
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"elements": [
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"Si",
"H",
"O"
],
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"density": 3.9916422370736697,
"density_atomic": 0.07624965174936156,
"volume": 577.0518158513217,
"volume_molar": 7.897925592886953,
"formula_full": "Ba2 Na1 Ce2 Ti2 Fe1 Si8 H1 O27",
"formula_reduced": "Ba2NaCe2Ti2FeSi8HO27",
"formula_anonymous": "ABCD2E2F2G8H27",
"energy": -360.96535783,
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"updated_at": "2021-11-28T01:36:18.154000Z",
"spacegroup": 5
},
{
"id": "mp-1204081",
"created_at": "2022-09-04T14:47:40.971572Z",
"structure_string": "Cu12 Mo4 H96 C32 S12 I12 N8 O4\n1.0\n0.000000 10.014011 0.000000\n-0.122970 0.000000 15.095175\n18.611078 0.000000 -3.982769\nCu Mo H C S I N O\n12 4 96 32 12 12 8 4\ndirect\n0.694162 0.943058 0.284944 Cu\n0.194162 0.556942 0.715056 Cu\n0.305838 0.056942 0.715056 Cu\n0.805838 0.443058 0.284944 Cu\n0.673626 0.778489 0.116522 Cu\n0.173626 0.721511 0.883478 Cu\n0.326374 0.221511 0.883478 Cu\n0.826374 0.278489 0.116522 Cu\n0.691656 0.701535 0.283996 Cu\n0.191656 0.798465 0.716004 Cu\n0.308344 0.298465 0.716004 Cu\n0.808344 0.201535 0.283996 Cu\n0.851626 0.805243 0.223335 Mo\n0.351626 0.694757 0.776665 Mo\n0.148374 0.194757 0.776665 Mo\n0.648374 0.305243 0.223335 Mo\n0.069845 0.986499 0.134412 H\n0.569845 0.513501 0.865588 H\n0.930155 0.013501 0.865588 H\n0.430155 0.486499 0.134412 H\n0.198876 0.902422 0.125623 H\n0.698876 0.597578 0.874377 H\n0.801124 0.097578 0.874377 H\n0.301124 0.402422 0.125623 H\n0.186676 0.991025 0.206163 H\n0.686676 0.508975 0.793837 H\n0.813324 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"energy": -446.29117965,
"energy_per_atom": -5.312990233928572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -437.07717965000006,
"band_gap": 2.778,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000179,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.967000Z",
"spacegroup": 15
},
{
"id": "mp-1212500",
"created_at": "2022-09-04T14:45:10.183175Z",
"structure_string": "K2 Na1 Ti2 Fe7 Si8 H4 O31\n1.0\n5.309416 -0.016677 1.231050\n-0.249168 10.543245 5.117648\n0.007115 0.038363 12.078434\nK Na Ti Fe Si H O\n2 1 2 7 8 4 31\ndirect\n0.373490 0.003254 0.255522 K\n0.626510 0.996746 0.744478 K\n0.000000 0.000000 0.000000 Na\n0.493748 0.821423 0.075993 Ti\n0.506252 0.178577 0.924007 Ti\n0.566672 0.521549 0.340503 Fe\n0.433328 0.478451 0.659497 Fe\n0.154070 0.523980 0.201465 Fe\n0.845930 0.476020 0.798535 Fe\n0.707744 0.516297 0.067527 Fe\n0.292256 0.483703 0.932473 Fe\n0.000000 0.500000 0.500000 Fe\n0.798374 0.258026 0.324055 Si\n0.201626 0.741974 0.675945 Si\n0.094452 0.230882 0.726030 Si\n0.905548 0.769118 0.273970 Si\n0.925231 0.237351 0.068188 Si\n0.074769 0.762649 0.931812 Si\n0.229215 0.251935 0.454950 Si\n0.770785 0.748065 0.545050 Si\n0.327704 0.688317 0.404941 H\n0.672296 0.311683 0.595059 H\n0.386196 0.317236 0.154682 H\n0.613804 0.682764 0.845318 H\n0.850791 0.198079 0.222777 O\n0.149209 0.801921 0.777223 O\n0.222192 0.406526 0.400316 O\n0.777808 0.593474 0.599684 O\n0.477349 0.623359 0.165343 O\n0.522651 0.376641 0.834657 O\n0.095430 0.388386 0.666770 O\n0.904570 0.611614 0.333230 O\n0.013554 0.198719 0.411109 O\n0.986446 0.801281 0.588891 O\n0.323269 0.598074 0.461581 O\n0.676731 0.401926 0.538419 O\n0.702111 0.174454 0.042805 O\n0.297889 0.825546 0.957195 O\n0.192466 0.172279 0.044737 O\n0.807534 0.827721 0.955263 O\n0.057528 0.607946 0.014897 O\n0.942472 0.392054 0.985103 O\n0.183547 0.827183 0.197000 O\n0.816453 0.172817 0.803000 O\n0.373873 0.408721 0.116930 O\n0.626127 0.591279 0.883070 O\n0.310549 0.173684 0.805354 O\n0.689451 0.826316 0.194646 O\n0.815499 0.412394 0.258563 O\n0.184501 0.587606 0.741437 O\n0.161618 0.187398 0.608223 O\n0.838382 0.812602 0.391777 O\n0.500000 0.000000 0.000000 O\n0.511700 0.204514 0.410793 O\n0.488300 0.795486 0.589207 O\n",
"nsites": 55,
"nelements": 7,
"elements": [
"K",
"Na",
"Ti",
"Fe",
"Si",
"H",
"O"
],
"chemical_system": "Fe-H-K-Na-O-Si-Ti",
"density": 3.229216954806962,
"density_atomic": 0.08148932876427678,
"volume": 674.9349986560553,
"volume_molar": 7.3900973922857744,
"formula_full": "K2 Na1 Ti2 Fe7 Si8 H4 O31",
"formula_reduced": "K2NaTi2Fe7Si8H4O31",
"formula_anonymous": "AB2C2D4E7F8G31",
"energy": -429.74940529,
"energy_per_atom": -7.813625550727274,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -392.66040529,
"band_gap": 1.4669999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.9999977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.722000Z",
"spacegroup": 2
}
]
}