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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11522",
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"results": [
{
"id": "mp-1234296",
"created_at": "2022-09-04T14:46:14.459459Z",
"structure_string": "Nd4 Mg1 Ta4 Ti4 O24\n1.0\n0.026488 0.008889 -5.342649\n0.013485 -7.613427 0.012489\n-11.307379 0.019727 0.054412\nNd Mg Ta Ti O\n4 1 4 4 24\ndirect\n0.544671 0.249072 0.048421 Nd\n0.943794 0.247740 0.571581 Nd\n0.455949 0.748209 0.948092 Nd\n0.046907 0.747390 0.448630 Nd\n0.101480 0.240581 0.315032 Mg\n0.560267 0.001542 0.360926 Ta\n0.447597 0.508479 0.641266 Ta\n0.047616 0.516870 0.135708 Ta\n0.953309 0.005533 0.858954 Ta\n0.952982 0.494743 0.859321 Ti\n0.045443 0.987643 0.131211 Ti\n0.455531 0.992488 0.643993 Ti\n0.559387 0.493925 0.364747 Ti\n0.838913 0.250139 0.879820 O\n0.726176 0.247841 0.380724 O\n0.178838 0.752913 0.120852 O\n0.332893 0.751549 0.612238 O\n0.364693 0.073013 0.220673 O\n0.119171 0.449284 0.716022 O\n0.619831 0.558030 0.786436 O\n0.882105 0.945132 0.283007 O\n0.618770 0.940471 0.786047 O\n0.883553 0.554659 0.286346 O\n0.359115 0.428813 0.224190 O\n0.123842 0.050183 0.713762 O\n0.952255 0.251466 0.146228 O\n0.527931 0.250078 0.642540 O\n0.039794 0.750071 0.861749 O\n0.468006 0.751314 0.359443 O\n0.758490 0.539367 0.027392 O\n0.726263 0.961196 0.524624 O\n0.236191 0.038608 0.975141 O\n0.254558 0.447798 0.470957 O\n0.233104 0.462346 0.979330 O\n0.249402 0.060422 0.457679 O\n0.761042 0.962376 0.023252 O\n0.730131 0.538706 0.526999 O\n",
"nsites": 37,
"nelements": 5,
"elements": [
"Nd",
"Mg",
"Ta",
"Ti",
"O"
],
"chemical_system": "Mg-Nd-O-Ta-Ti",
"density": 6.861755405983357,
"density_atomic": 0.08044810992923901,
"volume": 459.9237947609293,
"volume_molar": 7.485745488982884,
"formula_full": "Nd4 Mg1 Ta4 Ti4 O24",
"formula_reduced": "Nd4MgTa4Ti4O24",
"formula_anonymous": "AB4C4D4E24",
"energy": -348.98432594,
"energy_per_atom": -9.43200880918919,
"energy_above_hull": null,
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"energy_uncorrected": -332.49632594,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.415000Z",
"spacegroup": 1
},
{
"id": "mp-771053",
"created_at": "2022-09-04T14:46:14.482164Z",
"structure_string": "Mn10 Cr6 O32\n1.0\n4.128393 -4.122437 -0.000074\n-4.130789 -0.002482 -4.134804\n12.389072 12.371095 -8.258917\nMn Cr O\n10 6 32\ndirect\n0.124967 0.749948 0.375011 Mn\n0.374907 0.249907 0.124952 Mn\n0.500085 0.000193 0.000013 Mn\n0.249934 0.500174 0.249748 Mn\n0.875065 0.250027 0.124973 Mn\n0.999943 0.999596 0.500256 Mn\n0.374206 0.248953 0.624918 Mn\n0.125803 0.751131 0.875081 Mn\n0.874817 0.249045 0.624943 Mn\n0.625254 0.751114 0.875081 Mn\n0.374927 0.750177 0.124931 Cr\n0.625003 0.749898 0.375013 Cr\n0.125013 0.250020 0.375054 Cr\n0.874960 0.749603 0.624818 Cr\n0.749947 0.499925 0.750007 Cr\n0.625202 0.250293 0.875243 Cr\n0.229507 0.899123 0.066186 O\n0.669503 0.899280 0.066080 O\n0.191139 0.381805 0.073909 O\n0.080069 0.600684 0.183669 O\n0.520386 0.600915 0.183672 O\n0.080853 0.162558 0.183620 O\n0.668679 0.337003 0.066202 O\n0.416271 0.835480 0.315707 O\n0.169218 0.898470 0.566298 O\n0.417168 0.398091 0.315856 O\n0.558894 0.118231 0.176041 O\n0.308478 0.618437 0.425836 O\n0.941501 0.881558 0.324232 O\n0.833664 0.664312 0.434284 O\n0.019451 0.599220 0.683439 O\n0.270343 0.100376 0.433792 O\n0.979644 0.399461 0.316275 O\n0.729491 0.898347 0.566283 O\n0.168958 0.337052 0.566166 O\n0.059003 0.118532 0.676202 O\n0.579944 0.599206 0.683527 O\n0.690986 0.381484 0.574067 O\n0.441161 0.881837 0.823833 O\n0.832713 0.101738 0.434209 O\n0.331430 0.663383 0.933949 O\n0.580271 0.160943 0.682832 O\n0.480546 0.400798 0.816549 O\n0.919836 0.839231 0.817210 O\n0.808870 0.618217 0.925868 O\n0.920308 0.400984 0.816456 O\n0.331205 0.101520 0.933900 O\n0.770475 0.101720 0.933804 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O",
"density": 4.049997295605611,
"density_atomic": 0.08524511156587387,
"volume": 563.0821418176877,
"volume_molar": 7.064499828059161,
"formula_full": "Mn10 Cr6 O32",
"formula_reduced": "Mn5Cr3O16",
"formula_anonymous": "A3B5C16",
"energy": -394.33792703000006,
"energy_per_atom": -8.215373479791667,
"energy_above_hull": null,
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"energy_uncorrected": -343.67992703,
"band_gap": 0.5175000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 42.0009665,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.888000Z",
"spacegroup": 1
},
{
"id": "mp-1177579",
"created_at": "2022-09-04T14:46:14.574472Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.707935 0.000000 0.000000\n0.030592 8.806555 0.000000\n0.228053 0.041143 12.198060\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.076319 0.904292 0.302382 Li\n0.078463 0.295729 0.241365 Li\n0.210955 0.228102 0.821329 Li\n0.290712 0.726972 0.677285 Li\n0.420438 0.796067 0.257921 Li\n0.423209 0.405677 0.197527 Li\n0.579736 0.594305 0.802741 Li\n0.581264 0.204854 0.740401 Li\n0.709992 0.274247 0.322987 Li\n0.788635 0.772684 0.176990 Li\n0.915662 0.702387 0.759931 Li\n0.921727 0.097137 0.698219 Li\n0.252886 0.042929 0.610199 Mn\n0.746559 0.957748 0.389424 Mn\n0.752855 0.457506 0.110353 Mn\n0.754084 0.533920 0.605604 Mn\n0.245904 0.468512 0.389563 V\n0.247132 0.541774 0.888529 V\n0.254049 0.969115 0.109715 V\n0.746236 0.031605 0.890821 V\n0.036623 0.748956 0.506046 P\n0.104120 0.612399 0.147526 P\n0.107453 0.901590 0.849167 P\n0.394195 0.111247 0.354477 P\n0.398338 0.404213 0.649054 P\n0.460924 0.252955 0.993289 P\n0.538630 0.750074 0.005072 P\n0.604499 0.596992 0.345116 P\n0.606436 0.887592 0.644918 P\n0.893070 0.096813 0.152007 P\n0.893887 0.388085 0.857613 P\n0.960122 0.251618 0.494904 P\n0.049529 0.136145 0.567310 O\n0.065852 0.327778 0.407214 O\n0.068815 0.405992 0.834916 O\n0.072337 0.100344 0.153864 O\n0.112046 0.639697 0.422873 O\n0.146912 0.586412 0.027004 O\n0.148591 0.777649 0.181317 O\n0.154400 0.025208 0.760266 O\n0.157831 0.740132 0.812075 O\n0.162050 0.828023 0.571314 O\n0.171821 0.949800 0.957477 O\n0.192074 0.491449 0.217286 O\n0.306360 0.991535 0.285218 O\n0.331428 0.449471 0.540349 O\n0.333103 0.335425 0.929554 O\n0.349854 0.244510 0.690280 O\n0.351255 0.276502 0.319446 O\n0.352284 0.527692 0.736519 O\n0.356751 0.088558 0.476902 O\n0.383699 0.142032 0.075232 O\n0.425138 0.601384 0.343471 O\n0.430682 0.905118 0.665953 O\n0.433625 0.828027 0.092715 O\n0.449371 0.637231 0.933474 O\n0.549467 0.365298 0.065562 O\n0.564426 0.174444 0.905713 O\n0.569966 0.093051 0.333584 O\n0.578823 0.398413 0.650981 O\n0.613137 0.861564 0.921827 O\n0.642973 0.910036 0.522455 O\n0.649206 0.472473 0.256495 O\n0.650605 0.721859 0.679695 O\n0.652578 0.757300 0.306318 O\n0.667186 0.670844 0.068068 O\n0.671292 0.546942 0.451999 O\n0.694150 0.007393 0.714373 O\n0.803765 0.510064 0.793220 O\n0.827163 0.049358 0.043748 O\n0.832483 0.172520 0.431950 O\n0.844386 0.256133 0.192195 O\n0.848106 0.971989 0.240606 O\n0.850834 0.222808 0.821583 O\n0.861948 0.404483 0.981683 O\n0.889823 0.362053 0.580671 O\n0.928452 0.897634 0.845957 O\n0.929162 0.595376 0.168397 O\n0.931877 0.669982 0.594366 O\n0.947272 0.863773 0.434051 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.922738813071328,
"density_atomic": 0.08552202810830278,
"volume": 935.431511267368,
"volume_molar": 7.04162529023952,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -609.63115493,
"energy_per_atom": -7.620389436625,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -563.18315493,
"band_gap": 0.3313000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999524,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.344000Z",
"spacegroup": 1
},
{
"id": "mp-849568",
"created_at": "2022-09-04T14:46:14.668406Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n8.216779 0.000000 0.000000\n-4.106403 7.844515 0.000000\n-4.035642 -2.752464 11.672586\nLi Mn B O\n10 12 12 36\ndirect\n0.298806 0.593862 0.308985 Li\n0.533506 0.837291 0.553898 Li\n0.922062 0.899718 0.196964 Li\n0.777795 0.077334 0.802840 Li\n0.676104 0.391545 0.374547 Li\n0.428121 0.135244 0.123071 Li\n0.167510 0.884658 0.867647 Li\n0.912379 0.639400 0.618226 Li\n0.665030 0.646841 0.950263 Li\n0.419055 0.408467 0.702766 Li\n0.786862 0.802800 0.402695 Mn\n0.503473 0.521726 0.159626 Mn\n0.102570 0.720297 0.090317 Mn\n0.344853 0.977198 0.341417 Mn\n0.017796 0.032879 0.657209 Mn\n0.247573 0.271891 0.915242 Mn\n0.903993 0.248400 0.250525 Mn\n0.132265 0.477328 0.501067 Mn\n0.644023 0.001145 0.001361 Mn\n0.375666 0.740080 0.750975 Mn\n0.855890 0.468383 0.843557 Mn\n0.578215 0.228765 0.587200 Mn\n0.510778 0.519271 0.501113 B\n0.554866 0.881347 0.209497 B\n0.289571 0.624426 0.954493 B\n0.195893 0.860475 0.541711 B\n0.034593 0.373461 0.711891 B\n0.962549 0.625930 0.297122 B\n0.699340 0.374216 0.036024 B\n0.784464 0.122923 0.454173 B\n0.263680 0.250393 0.251100 B\n0.998192 0.984194 0.997313 B\n0.750571 0.748067 0.750233 B\n0.456488 0.133639 0.795085 B\n0.713781 0.960903 0.176528 O\n0.266348 0.491977 0.010530 O\n0.538441 0.748032 0.271454 O\n0.752305 0.969448 0.497083 O\n0.175300 0.351887 0.237435 O\n0.393220 0.596536 0.471677 O\n0.633103 0.825638 0.717264 O\n0.408639 0.925324 0.184641 O\n0.453818 0.715842 0.926562 O\n0.122491 0.701477 0.263469 O\n0.194544 0.452904 0.679513 O\n0.365211 0.952512 0.518862 O\n0.941634 0.204599 0.422092 O\n0.853768 0.459454 0.996594 O\n0.164211 0.717761 0.589907 O\n0.995819 0.225697 0.756247 O\n0.682910 0.237506 0.088650 O\n0.922045 0.480847 0.342267 O\n0.422087 0.986252 0.838048 O\n0.934421 0.842045 0.048177 O\n0.881383 0.057243 0.956896 O\n0.138151 0.669869 0.923635 O\n0.839195 0.700135 0.281708 O\n0.907504 0.443370 0.700747 O\n0.055007 0.914252 0.519954 O\n0.568475 0.435367 0.022422 O\n0.652780 0.183310 0.446181 O\n0.442462 0.310027 0.233276 O\n0.678484 0.578231 0.472638 O\n0.925793 0.815160 0.730100 O\n0.630027 0.220542 0.770753 O\n0.181792 0.091821 0.280755 O\n0.464794 0.390025 0.561723 O\n0.694697 0.606087 0.801935 O\n0.326223 0.195933 0.772189 O\n0.180526 0.050635 0.983857 O\n",
"nsites": 70,
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"elements": [
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"Mn",
"B",
"O"
],
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"density": 3.165757217312483,
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"volume": 752.3757450744081,
"volume_molar": 6.4727323446399465,
"formula_full": "Li10 Mn12 B12 O36",
"formula_reduced": "Li5Mn6(BO3)6",
"formula_anonymous": "A5B6C6D18",
"energy": -560.91898541,
"energy_per_atom": -8.013128363,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:24.273000Z",
"spacegroup": 1
},
{
"id": "mp-1075486",
"created_at": "2022-09-04T14:46:14.664053Z",
"structure_string": "Mg10 Si12\n1.0\n4.325781 0.000000 0.000000\n-0.061332 6.780928 0.000000\n-2.057553 -1.670505 14.187030\nMg Si\n10 12\ndirect\n0.640761 0.003049 0.019974 Mg\n0.375417 0.504984 0.496003 Mg\n0.948124 0.697961 0.638177 Mg\n0.792926 0.280758 0.345835 Mg\n0.209426 0.237116 0.161442 Mg\n0.568956 0.606289 0.880850 Mg\n0.906215 0.208714 0.572637 Mg\n0.835861 0.798514 0.415229 Mg\n0.174008 0.697017 0.091694 Mg\n0.105637 0.282290 0.947404 Mg\n0.092098 0.861164 0.921207 Si\n0.653567 0.413324 0.051245 Si\n0.329574 0.113663 0.438700 Si\n0.416493 0.899882 0.557686 Si\n0.994948 0.007140 0.778223 Si\n0.733075 0.939756 0.204883 Si\n0.279045 0.561250 0.302908 Si\n0.469876 0.434467 0.688953 Si\n0.005354 0.371242 0.770057 Si\n0.735476 0.575387 0.212729 Si\n0.268506 0.919892 0.288810 Si\n0.468068 0.082398 0.711815 Si\n",
"nsites": 22,
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"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.314668737180061,
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"volume": 416.1454484284288,
"volume_molar": 11.39130212304236,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -78.98061776,
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"updated_at": "2021-11-28T01:37:31.190000Z",
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},
{
"id": "mp-763965",
"created_at": "2022-09-04T14:46:14.727559Z",
"structure_string": "V6 O9 F9\n1.0\n-5.186428 0.000000 0.000000\n2.555689 4.528995 0.000000\n-0.158119 -0.297730 -13.244510\nV O F\n6 9 9\ndirect\n0.045905 0.989337 0.500230 V\n0.961122 0.969773 0.991168 V\n0.659452 0.307572 0.160798 V\n0.367834 0.698304 0.319301 V\n0.692249 0.332629 0.659623 V\n0.301251 0.682001 0.832193 V\n0.415443 0.992579 0.253566 O\n0.323724 0.086164 0.582312 O\n0.011183 0.585986 0.754304 O\n0.750532 0.096526 0.085502 O\n0.085145 0.756291 0.418953 O\n0.568662 0.577145 0.253354 O\n0.899627 0.247751 0.583067 O\n0.256340 0.905474 0.917129 O\n0.673086 0.754993 0.916680 O\n0.997199 0.414879 0.257433 F\n0.086372 0.339555 0.916087 F\n0.325577 0.255622 0.082620 F\n0.237081 0.324808 0.419498 F\n0.591208 0.996043 0.752229 F\n0.426688 0.420303 0.752307 F\n0.743794 0.679493 0.583174 F\n0.926276 0.677309 0.088585 F\n0.654253 0.909465 0.419886 F\n",
"nsites": 24,
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"elements": [
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"O",
"F"
],
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"density": 3.3126475575545746,
"density_atomic": 0.07714453252675892,
"volume": 311.1043545655706,
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"formula_full": "V6 O9 F9",
"formula_reduced": "V2(OF)3",
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"energy": -179.78998071,
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"updated_at": "2021-11-28T01:37:27.092000Z",
"spacegroup": 1
},
{
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