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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=45",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=43",
"results": [
{
"id": "jvasp-30214",
"created_at": "2022-09-04T14:37:28.798047Z",
"updated_at": "2022-09-04T14:37:28.798069Z",
"structure_string": "Ti5 Pb5 O14\n1.0\n-4.008047 7.778486 0.002205\n4.002036 3.885538 -4.150419\n-4.005514 0.000845 -4.152194\nTi Pb O\n5 5 14\ndirect\n0.601511 0.296228 0.212176 Ti\n0.405827 0.685217 0.821578 Ti\n0.798657 0.903717 0.604853 Ti\n0.994112 0.511699 0.004009 Ti\n0.190600 0.122894 0.384318 Ti\n0.795527 0.416767 0.627291 Pb\n0.392028 0.207947 0.813232 Pb\n0.201702 0.637722 0.432800 Pb\n0.576879 0.815142 0.245830 Pb\n0.989394 0.015774 0.013870 Pb\n0.110564 0.281733 0.157079 O\n0.413576 0.167319 0.270026 O\n0.813626 0.372011 0.059846 O\n0.608525 0.776697 0.661981 O\n0.115947 0.267399 0.668866 O\n0.211956 0.580597 0.856933 O\n0.912116 0.676669 0.762473 O\n0.515293 0.468658 0.477222 O\n0.510932 0.473306 0.975252 O\n0.712711 0.074993 0.367345 O\n0.306035 0.888721 0.048894 O\n0.711820 0.078106 0.864753 O\n0.908465 0.679471 0.266640 O\n0.014908 0.975808 0.464615 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti",
"density": 7.701940905696724,
"density_atomic": 0.07424480660905168,
"volume": 323.2549331884717,
"volume_molar": 8.11119462093905,
"formula_full": "Ti5 Pb5 O14",
"formula_reduced": "Ti5Pb5O14",
"formula_anonymous": "A5B5C14",
"energy_above_hull": 2.7763885319444443,
"spacegroup": 1
},
{
"id": "jvasp-42530",
"created_at": "2022-09-04T14:37:28.846942Z",
"updated_at": "2022-09-04T14:37:28.846975Z",
"structure_string": "Mn6 O10 F2\n1.0\n5.323863 -0.027137 0.068256\n1.607521 5.090955 0.068202\n2.150555 1.569635 6.461837\nMn O F\n6 10 2\ndirect\n0.648567 0.666379 0.844279 Mn\n0.361029 0.316504 0.669805 Mn\n0.648568 0.656804 0.333470 Mn\n0.331947 0.332310 0.162288 Mn\n0.007401 0.025956 0.500000 Mn\n0.997487 0.006645 0.989326 Mn\n0.693650 0.304594 0.000793 O\n0.297874 0.698885 0.000002 O\n0.647322 0.021754 0.666928 O\n0.967546 0.368017 0.326839 O\n0.430543 0.432263 0.370043 O\n0.235797 0.231116 0.959633 O\n0.107796 0.106201 0.700694 O\n0.568883 0.563095 0.632545 O\n0.361573 0.973743 0.332004 O\n0.761408 0.768291 0.039013 O\n0.036298 0.634140 0.668268 F\n0.896308 0.893300 0.304078 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.02739424414482,
"density_atomic": 0.10328704720140736,
"volume": 174.2716099231728,
"volume_molar": 5.830489807939775,
"formula_full": "Mn6 O10 F2",
"formula_reduced": "Mn3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.0208432785153256,
"spacegroup": 1
},
{
"id": "jvasp-9451",
"created_at": "2022-09-04T14:37:28.668866Z",
"updated_at": "2022-09-04T14:37:28.668895Z",
"structure_string": "Ca4 Mn4 O8\n1.0\n3.374689 -0.043237 0.100425\n0.913949 7.473223 0.178126\n0.828360 1.312990 8.639946\nCa Mn O\n4 4 8\ndirect\n0.754167 0.706535 0.974925 Ca\n0.245403 0.269750 0.039790 Ca\n0.711236 0.901663 0.329087 Ca\n0.278033 0.066748 0.700610 Ca\n0.705072 0.427251 0.719318 Mn\n0.081875 0.617387 0.666410 Mn\n0.818511 0.306287 0.362004 Mn\n0.323843 0.581798 0.286491 Mn\n0.664642 0.430522 0.160863 O\n0.777009 0.261993 0.577745 O\n0.188824 0.705098 0.454010 O\n0.323074 0.543604 0.857268 O\n0.804770 0.208586 0.876264 O\n0.840447 0.843399 0.716783 O\n0.181308 0.789489 0.133927 O\n0.172851 0.114263 0.305174 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 3.888832562167963,
"density_atomic": 0.07375231482442877,
"volume": 216.9423432754461,
"volume_molar": 8.165358300056099,
"formula_full": "Ca4 Mn4 O8",
"formula_reduced": "CaMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5993036653448272,
"spacegroup": 1
},
{
"id": "jvasp-42384",
"created_at": "2022-09-04T14:37:28.853551Z",
"updated_at": "2022-09-04T14:37:28.853586Z",
"structure_string": "Li3 Mn2 P4 O14\n1.0\n4.924840 0.060859 -0.014370\n2.227712 6.669572 0.021676\n0.004012 0.110838 8.112020\nLi Mn P O\n3 2 4 14\ndirect\n0.167517 0.332922 0.145832 Li\n0.285406 0.905466 0.832064 Li\n0.823369 0.656896 0.635165 Li\n0.212867 0.277753 0.494395 Mn\n0.801344 0.730334 0.013873 Mn\n0.395803 0.474860 0.812234 P\n0.215367 0.920163 0.224002 P\n0.797036 0.089693 0.694017 P\n0.598323 0.516288 0.321472 P\n0.806888 0.461664 0.469693 O\n0.750780 0.489545 0.156585 O\n0.550115 0.631928 0.803023 O\n0.370453 0.927496 0.059867 O\n0.436100 0.755010 0.347071 O\n0.632937 0.253855 0.829116 O\n0.202775 0.496586 0.960911 O\n0.365207 0.415279 0.324898 O\n0.227879 0.479931 0.650768 O\n0.870409 0.886294 0.786613 O\n0.155106 0.120491 0.311668 O\n0.089385 0.119922 0.662418 O\n0.606199 0.105137 0.544349 O\n0.950611 0.860012 0.200282 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9950947724418855,
"density_atomic": 0.08668212617205537,
"volume": 265.3372848094115,
"volume_molar": 6.947384686949939,
"formula_full": "Li3 Mn2 P4 O14",
"formula_reduced": "Li3Mn2(P2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy_above_hull": 3.0154784992503747,
"spacegroup": 1
},
{
"id": "jvasp-44630",
"created_at": "2022-09-04T14:37:29.005441Z",
"updated_at": "2022-09-04T14:37:29.005468Z",
"structure_string": "Li4 Mn1 V2 W1 O12\n1.0\n5.003295 0.005577 0.000615\n-0.003991 5.316627 -0.023144\n-0.008746 -0.591833 7.259160\nLi Mn V W O\n4 1 2 1 12\ndirect\n0.001898 0.425291 0.312996 Li\n0.493004 0.904029 0.773533 Li\n0.012392 0.430810 0.762118 Li\n0.493397 0.928473 0.310585 Li\n0.499217 0.486028 0.507784 Mn\n-0.001340 0.986211 0.514410 V\n0.497733 0.464202 0.005524 V\n0.003208 0.977798 0.008405 W\n0.681775 0.196716 0.925759 O\n0.809464 0.327698 0.543108 O\n0.183514 0.333143 0.051607 O\n0.617432 0.514612 0.229930 O\n0.386693 0.531087 0.746145 O\n0.120592 0.030214 0.746126 O\n0.193426 0.725202 0.433898 O\n0.323719 0.834622 0.054476 O\n0.868783 0.018242 0.240698 O\n0.296483 0.218448 0.431310 O\n0.820617 0.695942 0.924117 O\n0.697992 0.828851 0.548681 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"W",
"O"
],
"chemical_system": "Li-Mn-O-V-W",
"density": 4.820988658497793,
"density_atomic": 0.10361080601874965,
"volume": 193.03005901122663,
"volume_molar": 5.8122709313835665,
"formula_full": "Li4 Mn1 V2 W1 O12",
"formula_reduced": "Li4MnV2WO12",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 3.206403382068965,
"spacegroup": 1
},
{
"id": "jvasp-30598",
"created_at": "2022-09-04T14:37:29.298005Z",
"updated_at": "2022-09-04T14:37:29.298029Z",
"structure_string": "Mo2 F8\n1.0\n4.218069 -0.309687 -2.584461\n-0.973177 4.684616 -2.158203\n-0.388130 0.189888 6.650629\nMo F\n2 8\ndirect\n0.950396 0.534766 0.972006 Mo\n0.508215 0.036887 0.975696 Mo\n0.902937 0.396826 0.206977 F\n0.572065 0.153993 0.728131 F\n0.075323 0.734023 0.812937 F\n0.132097 0.229121 0.810170 F\n0.414502 0.675109 0.267477 F\n0.508846 0.181589 0.277458 F\n0.915491 0.896075 0.208020 F\n0.504775 0.654253 0.728602 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mo",
"F"
],
"chemical_system": "F-Mo",
"density": 4.508173668387425,
"density_atomic": 0.07895156731952502,
"volume": 126.65993012562986,
"volume_molar": 7.627639278683074,
"formula_full": "Mo2 F8",
"formula_reduced": "MoF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.663901406,
"spacegroup": 1
},
{
"id": "jvasp-42458",
"created_at": "2022-09-04T14:37:29.518014Z",
"updated_at": "2022-09-04T14:37:29.518042Z",
"structure_string": "Li3 V6 O9 F9\n1.0\n4.996811 -0.024065 0.001560\n2.339293 4.423479 -0.002597\n0.628263 0.187146 13.324195\nLi V O F\n3 6 9 9\ndirect\n0.647994 0.674062 0.884384 Li\n0.964061 0.030852 0.217285 Li\n0.314336 0.355453 0.551901 Li\n0.673287 0.685690 0.670285 V\n0.625360 0.681337 0.157952 V\n0.025717 0.973870 0.001841 V\n0.367761 0.297926 0.825479 V\n0.318286 0.377580 0.337528 V\n0.016570 0.987783 0.492802 V\n0.088237 0.265700 0.421617 O\n0.270536 0.058771 0.913787 O\n0.261865 0.681125 0.415268 O\n0.327393 0.734475 0.082383 O\n0.433613 0.582610 0.756124 O\n0.602785 0.394164 0.248537 O\n0.613216 0.993264 0.750105 O\n0.749676 0.910071 0.085011 O\n0.937938 0.727683 0.581246 O\n0.014384 0.378612 0.746690 F\n0.949593 0.321338 0.088700 F\n0.690223 0.344298 0.579015 F\n0.346880 0.013450 0.246619 F\n0.662580 0.294656 0.922526 F\n0.325420 0.974218 0.587875 F\n0.662084 0.067056 0.416149 F\n0.028418 0.665222 0.911040 F\n0.983050 0.648186 0.253689 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.607551859635948,
"density_atomic": 0.09144562470983975,
"volume": 295.2574285065247,
"volume_molar": 6.585488129266402,
"formula_full": "Li3 V6 O9 F9",
"formula_reduced": "LiV2(OF)3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 1.8252955275,
"spacegroup": 1
},
{
"id": "jvasp-42738",
"created_at": "2022-09-04T14:37:29.957805Z",
"updated_at": "2022-09-04T14:37:29.957823Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n5.221026 -0.010320 0.016211\n-2.410089 5.411433 -0.069452\n-0.092739 -2.219795 8.663414\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.584943 0.315628 0.964967 Li\n0.090026 0.320407 0.466431 Li\n0.912867 0.680762 0.535709 Li\n0.413364 0.682193 0.033320 Li\n0.545865 0.236631 0.295160 Mn\n0.042370 0.234676 0.791417 Mn\n0.955269 0.763331 0.206124 Mn\n0.454557 0.766369 0.707113 Fe\n0.053964 0.260180 0.129660 B\n0.448915 0.741354 0.371973 B\n0.552794 0.257985 0.630172 B\n0.944370 0.740782 0.868034 B\n0.282147 0.706899 0.491328 O\n0.623284 0.177076 0.753316 O\n0.726409 0.296544 0.514151 O\n0.816320 0.310403 0.131191 O\n0.316158 0.308592 0.629709 O\n0.127189 0.180495 0.252643 O\n0.777896 0.701574 0.986544 O\n0.222998 0.298339 0.011873 O\n0.862988 0.815696 0.745317 O\n0.684863 0.688959 0.369946 O\n0.186869 0.696583 0.865465 O\n0.373571 0.818522 0.248433 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2936497213420353,
"density_atomic": 0.0984236442553101,
"volume": 243.8438464820933,
"volume_molar": 6.118591529062486,
"formula_full": "Li4 Mn3 Fe1 B4 O12",
"formula_reduced": "Li4Mn3Fe(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy_above_hull": 3.406013314894636,
"spacegroup": 1
},
{
"id": "jvasp-42445",
"created_at": "2022-09-04T14:37:29.847442Z",
"updated_at": "2022-09-04T14:37:29.847466Z",
"structure_string": "V4 O3 F9\n1.0\n5.039070 0.013136 -0.002963\n2.464619 4.688425 0.026788\n2.280603 1.770066 8.358912\nV O F\n4 3 9\ndirect\n0.754270 0.754071 0.758926 V\n0.514858 0.514512 0.504355 V\n0.245337 0.245041 0.236433 V\n0.995010 0.995026 0.999311 V\n0.836522 0.835637 0.915082 O\n0.172902 0.170438 0.083529 O\n0.661744 0.662746 0.582075 O\n0.323590 0.328701 0.421302 F\n0.319688 0.942062 0.818633 F\n0.752678 0.382666 0.882408 F\n0.745741 0.114771 0.611801 F\n0.812654 0.449574 0.314363 F\n0.181662 0.545545 0.679762 F\n0.250050 0.880992 0.381644 F\n0.249313 0.620096 0.123630 F\n0.683967 0.058142 0.186748 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.563562222880865,
"density_atomic": 0.08122164687910867,
"volume": 196.991819481506,
"volume_molar": 7.4144529092883715,
"formula_full": "V4 O3 F9",
"formula_reduced": "V4(OF3)3",
"formula_anonymous": "A3B4C9",
"energy_above_hull": 1.63994936515625,
"spacegroup": 1
},
{
"id": "jvasp-42448",
"created_at": "2022-09-04T14:37:29.861853Z",
"updated_at": "2022-09-04T14:37:29.861875Z",
"structure_string": "Li3 V4 O3 F9\n1.0\n5.024679 0.002891 0.004824\n-0.216949 5.407413 -0.022067\n-0.119666 -0.660757 7.547821\nLi V O F\n3 4 3 9\ndirect\n0.979554 0.599230 0.219826 Li\n0.513464 0.051120 0.196376 Li\n0.490915 0.930710 0.802865 Li\n0.991416 0.993431 0.501485 V\n0.514600 0.513051 0.496134 V\n0.501686 0.494962 0.992390 V\n0.005509 0.000886 0.994959 V\n0.705227 0.798738 0.054964 O\n0.318789 0.186633 0.959918 O\n0.800522 0.704693 0.446544 O\n0.196789 0.690766 0.917797 F\n0.848757 0.022981 0.750983 F\n0.817719 0.312863 0.088036 F\n0.676834 0.186379 0.416143 F\n0.631329 0.499179 0.746867 F\n0.348848 0.507972 0.248130 F\n0.321138 0.828163 0.581717 F\n0.186590 0.318495 0.554353 F\n0.148786 0.970458 0.251674 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.592788363541008,
"density_atomic": 0.09267683706658313,
"volume": 205.0134704786004,
"volume_molar": 6.4979998785170325,
"formula_full": "Li3 V4 O3 F9",
"formula_reduced": "Li3V4(OF3)3",
"formula_anonymous": "A3B3C4D9",
"energy_above_hull": 1.536992623289474,
"spacegroup": 1
},
{
"id": "jvasp-43954",
"created_at": "2022-09-04T14:37:30.054222Z",
"updated_at": "2022-09-04T14:37:30.054246Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.184924 0.001166 0.050898\n-2.582740 4.482678 0.069462\n-0.078738 -0.065244 10.119584\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.685567 0.664483 0.662657 Li\n0.631696 0.650824 0.167990 Li\n0.374215 0.359988 0.416110 Li\n0.322308 0.332168 0.919489 Li\n0.650494 -0.008935 0.884247 Mn\n0.014177 0.341822 0.632457 Mn\n0.296522 -0.031159 0.146995 Fe\n0.039430 0.700955 0.365857 Fe\n0.347884 0.010933 0.621893 B\n-0.010858 0.658208 0.880334 B\n0.972790 0.309422 0.128706 B\n0.700313 0.028436 0.374759 B\n0.232023 0.923527 0.920685 O\n0.964198 0.282544 0.407019 O\n0.713994 0.041894 0.102421 O\n0.947299 0.558582 0.157659 O\n0.447902 0.055123 0.351878 O\n0.714150 0.634281 0.863667 O\n0.681321 0.754261 0.361304 O\n0.377356 0.290640 0.610446 O\n0.248221 0.329298 0.123031 O\n0.587866 0.979318 0.661735 O\n0.024690 0.413704 0.851182 O\n0.077041 0.760305 0.591276 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.4198858082506667,
"density_atomic": 0.1020046601740986,
"volume": 235.2833680249265,
"volume_molar": 5.903789836387461,
"formula_full": "Li4 Mn2 Fe2 B4 O12",
"formula_reduced": "Li2MnFe(BO3)2",
"formula_anonymous": "ABC2D2E6",
"energy_above_hull": 3.1267832423371646,
"spacegroup": 1
},
{
"id": "jvasp-36576",
"created_at": "2022-09-04T14:37:30.662145Z",
"updated_at": "2022-09-04T14:37:30.662163Z",
"structure_string": "Cr4 N8\n1.0\n-4.898412 -0.023968 -0.031758\n1.710337 4.742414 0.023461\n-0.094474 -1.383794 -6.694430\nCr N\n4 8\ndirect\n0.207515 0.110261 0.909093 Cr\n0.297372 0.007705 0.478925 Cr\n0.509348 0.645886 0.806055 Cr\n0.787280 0.420261 0.191690 Cr\n0.232091 0.266995 0.674431 N\n0.422369 0.798368 0.573305 N\n0.981140 0.748793 0.318485 N\n0.859969 0.826327 0.788107 N\n0.045151 0.239880 0.096457 N\n0.588512 0.427462 0.983748 N\n0.358615 0.851970 0.964838 N\n0.575345 0.215891 0.348799 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 3.4254977210973907,
"density_atomic": 0.07734892527751053,
"volume": 155.14113424261168,
"volume_molar": 7.7856812339588615,
"formula_full": "Cr4 N8",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.509337966666665,
"spacegroup": 1
}
]
}