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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4357",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4355",
"results": [
{
"id": "jvasp-90824",
"created_at": "2022-09-04T14:35:50.376227Z",
"updated_at": "2022-09-04T14:35:50.376245Z",
"structure_string": "Zr4 Cu4\n1.0\n-3.137660 -4.125430 0.881955\n-3.137660 4.125430 0.881955\n0.036575 0.000000 -5.444781\nZr Cu\n4 4\ndirect\n0.097302 0.097302 0.002333 Zr\n0.594710 0.594710 0.021730 Zr\n0.725773 0.172179 0.404667 Zr\n0.172179 0.725773 0.404667 Zr\n0.277943 0.277943 0.552555 Cu\n0.696368 0.696368 0.562321 Cu\n0.055969 0.556277 0.848093 Cu\n0.556277 0.055969 0.848093 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Cu"
],
"chemical_system": "Cu-Zr",
"density": 7.30686627307539,
"density_atomic": 0.05686241161228027,
"volume": 140.6904802868453,
"volume_molar": 10.590723448492344,
"formula_full": "Zr4 Cu4",
"formula_reduced": "ZrCu",
"formula_anonymous": "AB",
"energy_above_hull": 1.214267475,
"spacegroup": 8
},
{
"id": "jvasp-43844",
"created_at": "2022-09-04T14:35:50.991346Z",
"updated_at": "2022-09-04T14:35:50.991368Z",
"structure_string": "Li4 Ti3 V5 O16\n1.0\n5.841251 -0.007233 0.020136\n-2.914424 5.063171 0.014540\n-0.033337 -0.101711 9.539438\nLi Ti V O\n4 3 5 16\ndirect\n0.330511 0.661025 0.105128 Li\n0.005198 0.010484 0.006589 Li\n0.001681 0.003307 0.502152 Li\n0.664933 0.329910 0.604913 Li\n0.164258 0.822954 0.782858 Ti\n0.658631 0.823027 0.782824 Ti\n0.830001 0.659980 0.279222 Ti\n0.346408 0.165526 0.290064 V\n0.819126 0.165513 0.290070 V\n0.661856 0.323746 0.012250 V\n0.169784 0.339594 0.790529 V\n0.329003 0.658017 0.508722 V\n0.335188 0.173639 0.899867 O\n0.671461 0.342902 0.402764 O\n0.959917 0.479610 0.159068 O\n0.519691 0.479614 0.159068 O\n0.166719 0.333425 0.398131 O\n0.837337 0.674737 0.900130 O\n0.481323 0.517968 0.659364 O\n0.480201 0.960458 0.661140 O\n0.665082 0.834708 0.400592 O\n0.001794 0.003582 0.191091 O\n-0.000782 -0.001531 0.686859 O\n0.338984 0.678002 0.900154 O\n0.516741 0.033482 0.158808 O\n0.169643 0.834706 0.400585 O\n0.036603 0.517961 0.659366 O\n0.838412 0.173660 0.899858 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.017021787795417,
"density_atomic": 0.09930901947791348,
"volume": 281.94820719408324,
"volume_molar": 6.06404210983005,
"formula_full": "Li4 Ti3 V5 O16",
"formula_reduced": "Li4Ti3V5O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 3.323438285714286,
"spacegroup": 8
},
{
"id": "jvasp-42756",
"created_at": "2022-09-04T14:35:51.867220Z",
"updated_at": "2022-09-04T14:35:51.867236Z",
"structure_string": "Li4 Ti3 Fe3 Ni2 O16\n1.0\n5.720309 -0.025324 -0.055332\n2.833907 4.969024 -0.054619\n-0.014987 -0.011580 9.482227\nLi Ti Fe Ni O\n4 3 3 2 16\ndirect\n0.325269 0.325232 0.106699 Li\n0.013792 0.013953 0.005002 Li\n0.013180 0.013278 0.501491 Li\n0.659873 0.659792 0.602082 Li\n0.164598 0.661224 0.785234 Ti\n0.661123 0.164242 0.785251 Ti\n0.833374 0.833352 0.286411 Ti\n0.343830 0.824601 0.287029 Fe\n0.824595 0.343826 0.287023 Fe\n0.170703 0.170971 0.788059 Fe\n0.332838 0.332886 0.508971 Ni\n0.666533 0.666498 0.015300 Ni\n0.839985 0.840009 0.900350 O\n0.328165 0.843994 0.895820 O\n0.664891 0.664927 0.396878 O\n0.956828 0.511137 0.163362 O\n0.511196 0.956786 0.163366 O\n0.163298 0.163331 0.388051 O\n0.471938 0.030576 0.663545 O\n0.478525 0.478504 0.661792 O\n0.678351 0.167410 0.397862 O\n0.005649 0.005590 0.189069 O\n0.001614 0.001715 0.684984 O\n0.334704 0.334853 0.900870 O\n0.513047 0.512994 0.170424 O\n0.167371 0.678392 0.397869 O\n0.030594 0.471977 0.663567 O\n0.843847 0.328247 0.895805 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Ti",
"density": 4.377353661470241,
"density_atomic": 0.10362666636163277,
"volume": 270.20072133061353,
"volume_molar": 5.811381347523176,
"formula_full": "Li4 Ti3 Fe3 Ni2 O16",
"formula_reduced": "Li4Ti3Fe3(NiO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.9137140107142856,
"spacegroup": 8
},
{
"id": "jvasp-92242",
"created_at": "2022-09-04T14:35:52.995178Z",
"updated_at": "2022-09-04T14:35:52.995206Z",
"structure_string": "Ti1 Cu3 O4\n1.0\n2.973034 0.057927 5.324307\n1.435609 2.604096 5.324307\n1.672607 1.009951 17.290730\nTi Cu O\n1 3 4\ndirect\n0.437696 0.437697 0.870159 Ti\n0.925455 0.925460 0.052486 Cu\n0.038743 0.038742 0.636352 Cu\n0.666154 0.666157 0.398745 Cu\n0.001265 0.001265 0.107026 O\n0.119906 0.119905 0.688560 O\n0.963576 0.963580 0.580776 O\n0.847200 0.847203 0.999229 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti",
"density": 4.949620154199721,
"density_atomic": 0.07882857016746143,
"volume": 101.48604729230787,
"volume_molar": 7.639540774628686,
"formula_full": "Ti1 Cu3 O4",
"formula_reduced": "TiCu3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5865467104166666,
"spacegroup": 8
},
{
"id": "jvasp-50775",
"created_at": "2022-09-04T14:35:53.424830Z",
"updated_at": "2022-09-04T14:35:53.424847Z",
"structure_string": "Hf6 N6 O3\n1.0\n-0.000000 3.262036 -0.000000\n-6.842533 1.631018 -0.036786\n-1.472739 0.000000 8.036921\nHf N O\n6 6 3\ndirect\n0.032035 0.935932 0.797774 Hf\n0.640566 0.718870 0.475428 Hf\n0.695240 0.609524 0.133100 Hf\n0.306441 0.387119 0.869340 Hf\n0.364141 0.271720 0.519617 Hf\n0.966042 0.067918 0.183572 Hf\n0.535920 0.928163 0.645707 N\n0.170181 0.659637 0.965131 N\n0.120719 0.758564 0.292733 N\n0.791640 0.416722 0.383255 N\n0.876379 0.247246 0.728079 N\n0.827155 0.345692 0.038742 N\n0.214945 0.570111 0.624191 O\n0.459785 0.080431 0.332924 O\n0.498824 0.002353 0.010399 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 11.124588191935345,
"density_atomic": 0.08353496124122452,
"volume": 179.5655349223709,
"volume_molar": 7.209126179648087,
"formula_full": "Hf6 N6 O3",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.569881199999999,
"spacegroup": 8
},
{
"id": "jvasp-48011",
"created_at": "2022-09-04T14:35:55.461894Z",
"updated_at": "2022-09-04T14:35:55.461926Z",
"structure_string": "Li4 Mn2 Cr3 Co3 O16\n1.0\n5.668435 -0.004395 0.005322\n2.804418 4.925991 0.003057\n0.027524 0.020142 9.214438\nLi Mn Cr Co O\n4 2 3 3 16\ndirect\n0.332180 0.332183 0.107943 Li\n0.006704 0.006832 0.004932 Li\n0.004622 0.004546 0.502502 Li\n0.665300 0.665329 0.601919 Li\n0.331980 0.331972 0.508379 Mn\n0.665133 0.665188 0.013149 Mn\n0.172445 0.654895 0.786312 Cr\n0.654815 0.172521 0.786310 Cr\n0.826549 0.826516 0.285890 Cr\n0.831000 0.341433 0.287124 Co\n0.171523 0.171596 0.786939 Co\n0.341467 0.830968 0.287125 Co\n0.834530 0.834613 0.902419 O\n0.334208 0.832976 0.901060 O\n0.663594 0.663563 0.396196 O\n0.960796 0.517432 0.156418 O\n0.517446 0.960801 0.156433 O\n0.167501 0.167469 0.399047 O\n0.477592 0.037984 0.656746 O\n0.480550 0.480626 0.655482 O\n0.668537 0.164711 0.401347 O\n0.001740 0.001697 0.193799 O\n0.001140 0.001223 0.692419 O\n0.332549 0.332622 0.900521 O\n0.520192 0.520161 0.162645 O\n0.164757 0.668489 0.401332 O\n0.037948 0.477650 0.656735 O\n0.832887 0.334306 0.901038 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-Mn-O",
"density": 4.686190297322031,
"density_atomic": 0.10877824133157668,
"volume": 257.40441890994265,
"volume_molar": 5.536163010434573,
"formula_full": "Li4 Mn2 Cr3 Co3 O16",
"formula_reduced": "Li4Mn2Cr3Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.326995192241379,
"spacegroup": 8
},
{
"id": "jvasp-43340",
"created_at": "2022-09-04T14:35:55.955755Z",
"updated_at": "2022-09-04T14:35:55.955781Z",
"structure_string": "Li4 Fe3 Ni2 Sn3 O16\n1.0\n5.969548 0.009510 -0.053372\n2.983538 5.170483 -0.053248\n0.076313 0.043646 9.493698\nLi Fe Ni Sn O\n4 3 2 3 16\ndirect\n0.679044 0.679078 0.886253 Li\n0.967903 0.967902 0.990727 Li\n0.980243 0.980244 0.502718 Li\n0.341736 0.341766 0.397935 Li\n0.830515 0.830536 0.215629 Fe\n0.177571 0.660502 0.713497 Fe\n0.660478 0.177595 0.713495 Fe\n0.667786 0.667809 0.494271 Ni\n0.335504 0.335527 0.984972 Ni\n0.170432 0.170463 0.713524 Sn\n0.337851 0.833903 0.213171 Sn\n0.833879 0.337870 0.213168 Sn\n0.155212 0.155234 0.084191 O\n0.145180 0.672054 0.104547 O\n0.344932 0.344956 0.604560 O\n0.501898 0.048377 0.838308 O\n0.048350 0.501925 0.838308 O\n0.837250 0.837268 0.616924 O\n0.968565 0.535309 0.339087 O\n0.520675 0.520695 0.348627 O\n0.824294 0.316775 0.599192 O\n0.991398 0.991423 0.809090 O\n0.989722 0.989744 0.319124 O\n0.677434 0.677457 0.096636 O\n0.487766 0.487792 0.827062 O\n0.316754 0.824318 0.599196 O\n0.535285 0.968592 0.339086 O\n0.672041 0.145193 0.104542 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ni",
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"O"
],
"chemical_system": "Fe-Li-Ni-O-Sn",
"density": 5.245052223291334,
"density_atomic": 0.09563305243926297,
"volume": 292.7858024586525,
"volume_molar": 6.297133267626998,
"formula_full": "Li4 Fe3 Ni2 Sn3 O16",
"formula_reduced": "Li4Fe3Ni2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.463212585714285,
"spacegroup": 8
},
{
"id": "jvasp-48338",
"created_at": "2022-09-04T14:35:56.026218Z",
"updated_at": "2022-09-04T14:35:56.026251Z",
"structure_string": "Li2 Mn4 O5 F3\n1.0\n-4.364848 4.149258 0.048443\n4.364848 0.048443 4.149258\n4.380386 4.162279 0.035423\nLi Mn O F\n2 4 5 3\ndirect\n0.617803 0.250242 0.620839 Li\n0.128917 0.761358 0.620838 Li\n0.609868 0.250941 0.139191 Mn\n0.018360 0.000196 0.981444 Mn\n0.241636 0.482222 0.276142 Mn\n0.625303 0.751955 0.622741 Mn\n0.836996 0.216505 0.381540 O\n0.400075 0.248670 0.351257 O\n0.847238 0.716407 0.866091 O\n0.417502 0.286671 0.866091 O\n0.401956 0.781465 0.381540 O\n0.880991 0.723206 0.395802 F\n0.855273 0.255811 0.888915 F\n0.368074 0.774346 0.857579 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.075285336206431,
"density_atomic": 0.09270445839939809,
"volume": 151.01754804158264,
"volume_molar": 6.496063796689093,
"formula_full": "Li2 Mn4 O5 F3",
"formula_reduced": "Li2Mn4O5F3",
"formula_anonymous": "A2B3C4D5",
"energy_above_hull": 2.491427665215517,
"spacegroup": 8
},
{
"id": "jvasp-48918",
"created_at": "2022-09-04T14:35:56.299813Z",
"updated_at": "2022-09-04T14:35:56.299825Z",
"structure_string": "Li4 V2 O1 F7\n1.0\n5.864386 0.007187 -0.013957\n2.889678 5.165613 -0.002213\n2.906095 1.583584 4.907537\nLi V O F\n4 2 1 7\ndirect\n0.997666 0.501894 0.501843 Li\n0.487595 0.508146 0.508214 Li\n0.890981 0.875124 0.875082 Li\n0.124045 0.115477 0.115518 Li\n0.487268 0.507995 0.991005 V\n0.487245 0.990996 0.508002 V\n0.285937 0.748092 0.748136 O\n0.258686 0.260199 0.724046 F\n0.258675 0.724002 0.260243 F\n0.725970 0.254933 0.254925 F\n0.251144 0.253464 0.253468 F\n0.747207 0.745136 0.745090 F\n0.748782 0.744754 0.269732 F\n0.748815 0.269781 0.744702 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.1109247206681463,
"density_atomic": 0.09413094643752429,
"volume": 148.72898371729374,
"volume_molar": 6.397620535980649,
"formula_full": "Li4 V2 O1 F7",
"formula_reduced": "Li4V2OF7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 0.929133134107143,
"spacegroup": 8
},
{
"id": "jvasp-94931",
"created_at": "2022-09-04T14:35:56.362141Z",
"updated_at": "2022-09-04T14:35:56.362158Z",
"structure_string": "Ca1 Ni5 H1\n1.0\n0.000004 0.002615 3.974226\n2.533333 4.262487 0.081681\n-2.533045 4.262593 0.081673\nCa Ni H\n1 5 1\ndirect\n0.978444 0.996084 0.996113 Ca\n0.011287 0.340312 0.340337 Ni\n0.009046 0.661090 0.661122 Ni\n0.512941 0.500500 0.500530 Ni\n0.516569 0.991246 0.512521 Ni\n0.516569 0.512492 0.991274 Ni\n0.309040 0.202172 0.202203 H\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"H"
],
"chemical_system": "Ca-H-Ni",
"density": 6.472928453320107,
"density_atomic": 0.08156144256912409,
"volume": 85.82486748033465,
"volume_molar": 7.383563323927454,
"formula_full": "Ca1 Ni5 H1",
"formula_reduced": "CaNi5H",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.171701774285714,
"spacegroup": 8
},
{
"id": "jvasp-43117",
"created_at": "2022-09-04T14:35:56.628150Z",
"updated_at": "2022-09-04T14:35:56.628175Z",
"structure_string": "Mn3 Cr2 Sb3 O16\n1.0\n6.050181 0.027054 0.038028\n-3.001662 5.199077 -0.000013\n0.055950 0.032304 8.835247\nMn Cr Sb O\n3 2 3 16\ndirect\n0.660847 0.830431 0.214491 Mn\n0.826798 0.661613 0.708986 Mn\n0.826795 0.165198 0.708987 Mn\n0.342179 0.671098 0.497254 Cr\n0.684248 0.342133 0.981261 Cr\n0.163325 0.830491 0.209588 Sb\n0.163324 0.332850 0.209589 Sb\n0.328339 0.164176 0.708442 Sb\n0.831357 0.668223 0.104204 O\n0.676308 0.338162 0.597647 O\n0.537343 0.049742 0.840884 O\n0.537346 0.487616 0.840882 O\n0.669986 0.835002 0.601273 O\n0.336064 0.168046 0.093739 O\n0.477917 0.526405 0.339470 O\n0.012206 0.006106 0.329801 O\n0.160521 0.336068 0.601694 O\n0.982437 0.991225 0.815152 O\n0.950610 0.475314 0.831954 O\n0.317511 0.658768 0.084196 O\n0.044736 0.522372 0.350871 O\n0.160523 0.824469 0.601695 O\n0.477921 0.951533 0.339467 O\n0.831356 0.163152 0.104205 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Mn-O-Sb",
"density": 5.3047688628690475,
"density_atomic": 0.08613926475227533,
"volume": 278.61858432412555,
"volume_molar": 6.991168054799223,
"formula_full": "Mn3 Cr2 Sb3 O16",
"formula_reduced": "Mn3Cr2Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.4233879510057474,
"spacegroup": 8
},
{
"id": "jvasp-42308",
"created_at": "2022-09-04T14:35:57.247966Z",
"updated_at": "2022-09-04T14:35:57.247983Z",
"structure_string": "Li2 Co4 O7 F1\n1.0\n5.676525 -0.043210 -0.040545\n-2.786244 4.945775 0.040799\n-2.858036 -1.618659 4.671944\nLi Co O F\n2 4 7 1\ndirect\n0.496200 0.500352 -0.003447 Li\n0.751410 0.115732 0.867127 Li\n0.249185 0.885110 0.134293 Co\n0.985448 0.997038 0.492241 Co\n0.495183 0.506792 0.492234 Co\n0.007564 0.498286 0.505841 Co\n0.024326 0.262795 0.287135 O\n0.466047 0.709463 0.713736 O\n0.004266 0.247684 0.713711 O\n-0.000162 0.751714 0.282545 O\n0.523187 0.749361 0.272562 O\n0.530829 0.282712 0.282552 O\n0.980542 0.739918 0.720467 O\n0.485964 0.253033 0.738994 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.853245968594774,
"density_atomic": 0.10750587698223475,
"volume": 130.2254387666033,
"volume_molar": 5.601685162751756,
"formula_full": "Li2 Co4 O7 F1",
"formula_reduced": "Li2Co4O7F",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.651524170178571,
"spacegroup": 8
}
]
}