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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=274",
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"results": [
{
"id": "jvasp-85534",
"created_at": "2022-09-04T14:35:46.694978Z",
"updated_at": "2022-09-04T14:35:46.695005Z",
"structure_string": "Pb4 Se1 Br6\n1.0\n4.256782 0.000057 1.001664\n1.175193 8.154535 4.553146\n-0.068603 -0.168781 9.838541\nPb Se Br\n4 1 6\ndirect\n0.004763 -0.005843 -0.008378 Pb\n0.257282 0.499335 0.981038 Pb\n0.495642 0.533861 0.470032 Pb\n0.765441 0.010708 0.453529 Pb\n0.968955 0.747067 0.310186 Se\n0.359720 0.119184 0.156534 Br\n0.632567 0.819819 0.910330 Br\n0.120845 0.176384 0.576974 Br\n0.888207 0.401980 0.816746 Br\n0.301946 0.762737 0.628534 Br\n0.682066 0.401050 0.229834 Br\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Pb",
"Se",
"Br"
],
"chemical_system": "Br-Pb-Se",
"density": 6.67386188053753,
"density_atomic": 0.03187034253452526,
"volume": 345.14847112432693,
"volume_molar": 18.895751601904475,
"formula_full": "Pb4 Se1 Br6",
"formula_reduced": "Pb4SeBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.1276228433333333,
"spacegroup": 8
},
{
"id": "jvasp-85739",
"created_at": "2022-09-04T14:35:47.281780Z",
"updated_at": "2022-09-04T14:35:47.281805Z",
"structure_string": "Sm3 In3 Pt3\n1.0\n8.315379 -1.876837 -1.197191\n-6.014712 7.954258 -0.059171\n-0.496587 -0.350102 4.040340\nSm In Pt\n3 3 3\ndirect\n-0.034962 0.672233 0.649289 Sm\n0.690232 -0.000003 0.011620 Sm\n0.289964 0.234980 -0.188160 Sm\n0.085070 0.417428 0.709021 In\n0.550962 0.642238 0.442170 In\n0.429987 0.075932 0.381713 In\n-0.053160 -0.108819 0.140154 Pt\n0.754050 0.347777 0.043636 Pt\n0.287858 0.718234 0.310561 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"In",
"Pt"
],
"chemical_system": "In-Pt-Sm",
"density": 10.706660146648797,
"density_atomic": 0.04202629013141417,
"volume": 214.15166487114223,
"volume_molar": 14.329460776026288,
"formula_full": "Sm3 In3 Pt3",
"formula_reduced": "SmInPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7886267483333335,
"spacegroup": 8
},
{
"id": "jvasp-48505",
"created_at": "2022-09-04T14:35:48.028431Z",
"updated_at": "2022-09-04T14:35:48.028458Z",
"structure_string": "Mn6 O2 F10\n1.0\n-4.703769 4.703769 3.213362\n0.104038 4.820842 -3.232938\n-4.820842 -0.104038 -3.232938\nMn O F\n6 2 10\ndirect\n0.844886 0.672705 0.672705 Mn\n0.652973 0.342045 0.342045 Mn\n0.318145 0.656562 0.656562 Mn\n0.175082 0.339030 0.339030 Mn\n0.496745 0.998469 0.998469 Mn\n0.997255 0.984435 0.984435 Mn\n0.048299 0.756202 0.756202 O\n0.363367 0.444908 0.444908 O\n0.677085 0.637782 0.035574 F\n0.336074 0.976460 0.360988 F\n0.700186 0.105099 0.105099 F\n0.968860 0.228787 0.228787 F\n0.677085 0.035574 0.637782 F\n0.309492 0.879475 0.879475 F\n0.336074 0.360988 0.976460 F\n0.989111 0.300054 0.695071 F\n0.620165 0.586354 0.586354 F\n0.989111 0.695071 0.300054 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.081313214548609,
"density_atomic": 0.08020294850750906,
"volume": 224.43065167753448,
"volume_molar": 7.508627640336903,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.635485181848659,
"spacegroup": 8
},
{
"id": "jvasp-87325",
"created_at": "2022-09-04T14:35:48.969859Z",
"updated_at": "2022-09-04T14:35:48.969880Z",
"structure_string": "Ca4 Cr2 O16\n1.0\n4.113227 3.811738 -0.647808\n-4.113227 3.811738 0.647808\n-0.243816 0.000000 9.538470\nCa Cr O\n4 2 16\ndirect\n0.563484 0.948862 0.459329 Ca\n0.563482 0.948864 0.959329 Ca\n0.051139 0.436517 0.459329 Ca\n0.051136 0.436518 0.959329 Ca\n0.165773 0.834227 0.157687 Cr\n0.165774 0.834227 0.657687 Cr\n0.630935 0.544923 0.885454 O\n0.630938 0.544920 0.385454 O\n0.455078 0.369065 0.885454 O\n0.455080 0.369063 0.385454 O\n0.795186 0.204814 0.643061 O\n0.795184 0.204816 0.143060 O\n0.348741 0.651259 0.612570 O\n0.187004 0.812997 0.334944 O\n0.187003 0.812998 0.834943 O\n0.833323 0.166678 0.286149 O\n0.894774 0.744833 0.586886 O\n0.894772 0.744834 0.086887 O\n0.255167 0.105226 0.586886 O\n0.255166 0.105229 0.086887 O\n0.348741 0.651260 0.112569 O\n0.833321 0.166679 0.786149 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 2.900252925089758,
"density_atomic": 0.07385163903903998,
"volume": 297.8945394613409,
"volume_molar": 8.154376583052589,
"formula_full": "Ca4 Cr2 O16",
"formula_reduced": "Ca2CrO8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 2.3810187490909085,
"spacegroup": 8
},
{
"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": [
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],
"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": [
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"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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"Fe",
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"Sn",
"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
}
]
}