HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=145",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=143",
"results": [
{
"id": "jvasp-10539",
"created_at": "2022-09-04T14:37:06.338636Z",
"updated_at": "2022-09-04T14:37:06.338659Z",
"structure_string": "K4 Na2 Ga2 P4\n1.0\n5.950265 0.000000 -2.391282\n-1.015191 5.965198 -2.526114\n-0.007192 0.028552 8.580813\nK Na Ga P\n4 2 2 4\ndirect\n0.825469 0.066095 0.650936 K\n0.174533 0.933905 0.349065 K\n0.674532 0.415151 0.349062 K\n0.325470 0.584849 0.650939 K\n0.750002 -0.000000 0.000000 Na\n0.249998 -0.000000 0.000000 Na\n0.250004 0.500000 0.000000 Ga\n0.749997 0.500000 0.000001 Ga\n0.594056 0.795699 0.188111 P\n0.405945 0.204301 0.811889 P\n0.905945 0.607592 0.811888 P\n0.094056 0.392408 0.188113 P\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"Ga",
"P"
],
"chemical_system": "Ga-K-Na-P",
"density": 2.535796765280256,
"density_atomic": 0.03934843804564141,
"volume": 304.9676326689473,
"volume_molar": 15.304650093136459,
"formula_full": "K4 Na2 Ga2 P4",
"formula_reduced": "K2NaGaP2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.4534480541666666,
"spacegroup": 72
},
{
"id": "jvasp-101829",
"created_at": "2022-09-04T14:36:55.063251Z",
"updated_at": "2022-09-04T14:36:55.063276Z",
"structure_string": "H4 C6 S2 O4\n1.0\n4.481041 -0.127399 1.672479\n0.062840 6.212370 2.272410\n-0.034179 -0.058347 6.960962\nH C S O\n4 6 2 4\ndirect\n0.745524 0.838919 0.994729 H\n0.689835 0.557262 0.115200 H\n0.745848 0.339764 0.495490 H\n0.690670 0.058038 0.615430 H\n0.672686 0.709989 0.151257 C\n0.673197 0.210583 0.651851 C\n0.156497 0.244177 0.652368 C\n0.156013 0.744271 0.151566 C\n0.357608 0.745863 0.275947 C\n0.358040 0.246070 0.776673 C\n0.248901 0.797943 0.501228 S\n0.249201 0.297928 0.002069 S\n0.254806 0.279729 0.456254 O\n0.254193 0.780533 0.955345 O\n0.867776 0.704918 0.270964 O\n0.868145 0.205477 0.771660 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7409829492675772,
"density_atomic": 0.08214091956773245,
"volume": 194.78720331109253,
"volume_molar": 7.331474728663358,
"formula_full": "H4 C6 S2 O4",
"formula_reduced": "H2C3SO2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 4.326515875,
"spacegroup": 1
},
{
"id": "jvasp-96978",
"created_at": "2022-09-04T14:36:54.095066Z",
"updated_at": "2022-09-04T14:36:54.095097Z",
"structure_string": "K8 V4 O8 F12\n1.0\n5.659324 0.000000 0.000000\n-0.000000 7.303742 0.000000\n0.000000 0.000000 11.376050\nK V O F\n8 4 8 12\ndirect\n0.749999 0.812627 0.589413 K\n0.250000 0.187373 0.410587 K\n0.749999 0.312627 0.910587 K\n0.250000 0.687373 0.089413 K\n0.749999 0.526665 0.284984 K\n0.250000 0.473334 0.715016 K\n0.749999 0.026666 0.215016 K\n0.250000 0.973334 0.784984 K\n0.749999 0.796533 0.928779 V\n0.749999 0.296533 0.571220 V\n0.250000 0.703467 0.428779 V\n0.250000 0.203467 0.071220 V\n0.019709 0.327179 0.114395 O\n0.519709 0.672821 0.885605 O\n0.980290 0.172821 0.614395 O\n0.019709 0.827179 0.385605 O\n0.519709 0.172821 0.614395 O\n0.480290 0.327179 0.114395 O\n0.980290 0.672821 0.885605 O\n0.480290 0.827179 0.385605 O\n0.749999 0.468154 0.694961 F\n0.250000 0.031846 0.194961 F\n0.749999 0.968154 0.805039 F\n0.500000 0.000000 0.000000 F\n0.250000 0.275527 0.909314 F\n0.500000 0.500000 0.500000 F\n0.749999 0.224473 0.409314 F\n0.250000 0.775526 0.590686 F\n0.000000 0.000000 0.000000 F\n0.250000 0.531846 0.305039 F\n0.000000 0.500000 0.500000 F\n0.749999 0.724473 0.090686 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"V",
"O",
"F"
],
"chemical_system": "F-K-O-V",
"density": 3.081251969469336,
"density_atomic": 0.06805319260006472,
"volume": 470.2204081454008,
"volume_molar": 8.849167143988295,
"formula_full": "K8 V4 O8 F12",
"formula_reduced": "K2VO2F3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.6449960059375,
"spacegroup": 62
},
{
"id": "jvasp-21589",
"created_at": "2022-09-04T14:37:05.040906Z",
"updated_at": "2022-09-04T14:37:05.040929Z",
"structure_string": "Ba4 Sc2 Ir2 O12\n1.0\n-0.000000 5.804611 -0.000050\n5.804663 -0.000000 -0.000000\n0.000000 -5.804429 -8.208890\nBa Sc Ir O\n4 2 2 12\ndirect\n0.250001 0.500024 0.749990 Ba\n0.749999 0.499975 0.250010 Ba\n0.749999 0.000024 0.750010 Ba\n0.250001 -0.000024 0.249990 Ba\n0.000000 0.500000 -0.000000 Sc\n-0.000000 -0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.743407 0.256629 0.500007 O\n0.256593 0.756629 -0.000007 O\n0.256596 0.243396 0.999971 O\n0.743404 0.743395 0.500029 O\n0.743404 0.756604 0.000029 O\n0.256644 -0.000010 0.756613 O\n0.743356 0.000010 0.243387 O\n0.256644 0.500010 0.256613 O\n0.743407 0.243371 0.000007 O\n0.743356 0.499989 0.743387 O\n0.256596 0.256604 0.499971 O\n0.256593 0.743371 0.499993 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Sc",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Sc",
"density": 7.298258351696776,
"density_atomic": 0.07230907114657055,
"volume": 276.5904703638079,
"volume_molar": 8.328333727027298,
"formula_full": "Ba4 Sc2 Ir2 O12",
"formula_reduced": "Ba2ScIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.278112929,
"spacegroup": 225
},
{
"id": "jvasp-100852",
"created_at": "2022-09-04T14:37:04.917433Z",
"updated_at": "2022-09-04T14:37:04.917457Z",
"structure_string": "Ba2 In1 Cu1 O4\n1.0\n4.191335 -0.000000 0.000000\n0.000000 4.191335 0.000000\n-0.000000 -0.000000 8.238499\nBa In Cu O\n2 1 1 4\ndirect\n0.499999 0.499999 0.767429 Ba\n0.499999 0.499999 0.232571 Ba\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 Cu\n-0.000000 0.499999 -0.000000 O\n0.499999 0.000000 -0.000000 O\n0.000000 0.000000 0.719580 O\n0.000000 0.000000 0.280420 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"In",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-In-O",
"density": 5.931983078491948,
"density_atomic": 0.055276068415671537,
"volume": 144.72809353662151,
"volume_molar": 10.894661890049763,
"formula_full": "Ba2 In1 Cu1 O4",
"formula_reduced": "Ba2InCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9388445449999998,
"spacegroup": 123
},
{
"id": "jvasp-104158",
"created_at": "2022-09-04T14:36:55.088120Z",
"updated_at": "2022-09-04T14:36:55.088147Z",
"structure_string": "H4 C6 S1 O2\n1.0\n4.008405 -0.029810 -0.243132\n-1.550602 5.136508 -1.525531\n-0.111996 0.058632 6.566908\nH C S O\n4 6 1 2\ndirect\n0.927528 0.229085 0.774809 H\n0.728287 0.899229 0.483095 H\n0.389319 0.864930 0.109430 H\n0.573207 0.253490 0.907506 H\n0.333340 0.711391 0.186098 C\n0.514812 0.732656 0.389296 C\n0.075775 0.479383 0.096359 C\n0.389939 0.510699 0.447487 C\n0.831060 0.369513 0.888284 C\n0.774010 0.558664 0.771429 C\n0.056220 0.277199 0.258776 S\n0.480418 0.426438 0.617777 O\n0.950583 0.780276 0.793115 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7222254364453993,
"density_atomic": 0.09619686280144905,
"volume": 135.13954219933433,
"volume_molar": 6.260225733587319,
"formula_full": "H4 C6 S1 O2",
"formula_reduced": "H4C6SO2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 5.013642846153847,
"spacegroup": 1
},
{
"id": "jvasp-101924",
"created_at": "2022-09-04T14:36:55.099568Z",
"updated_at": "2022-09-04T14:36:55.099601Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.889253 -0.091469 -0.019534\n2.102758 4.167036 1.065374\n-0.737315 0.032225 15.011696\nZn H C O\n1 16 10 4\ndirect\n0.699303 0.079813 0.833395 Zn\n0.047030 0.679718 0.473870 H\n0.977504 0.610551 0.053639 H\n0.327891 0.749366 0.046352 H\n0.252371 0.437299 0.236105 H\n0.624280 0.545974 0.211363 H\n0.572989 0.249484 0.410281 H\n-0.053297 0.347261 0.378383 H\n0.930693 0.043712 0.581761 H\n0.306838 0.130965 0.545324 H\n0.462888 0.060581 0.131866 H\n0.840035 0.162710 0.110291 H\n0.733017 0.874827 0.305775 H\n0.108637 0.970682 0.275247 H\n0.387724 0.465461 0.640154 H\n0.759460 0.537516 0.597694 H\n0.420901 0.769975 0.438480 H\n0.332517 0.477127 0.951850 C\n0.282575 0.536187 0.046794 C\n0.545049 0.257464 0.126190 C\n0.544848 0.346659 0.218308 C\n0.822151 0.068961 0.296211 C\n0.204348 0.945416 0.555283 C\n0.142529 0.870244 0.463185 C\n0.491914 0.649289 0.625920 C\n0.617867 0.690363 0.717526 C\n0.856774 0.153558 0.388022 C\n0.207756 0.712235 0.882252 O\n0.813658 0.444673 0.782039 O\n0.535112 0.972364 0.724474 O\n0.512059 0.189432 0.946540 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.792725132559741,
"density_atomic": 0.12598875532593742,
"volume": 246.05370471199504,
"volume_molar": 4.779903368693901,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.538693690322581,
"spacegroup": 1
},
{
"id": "jvasp-102676",
"created_at": "2022-09-04T14:36:55.109968Z",
"updated_at": "2022-09-04T14:36:55.109990Z",
"structure_string": "Sr1 Sm1 Al1 O4\n1.0\n3.591778 0.007925 -5.668008\n-0.295751 3.579590 -5.668008\n-0.007281 -0.007925 6.710226\nSr Sm Al O\n1 1 1 4\ndirect\n0.644481 0.644481 0.000001 Sr\n0.360026 0.360026 0.000000 Sm\n0.003111 0.003111 0.000000 Al\n0.838990 0.838991 0.000001 O\n0.167434 0.167434 0.000000 O\n0.992981 0.492981 0.500001 O\n0.492981 0.992980 0.500000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Sm",
"Al",
"O"
],
"chemical_system": "Al-O-Sm-Sr",
"density": 6.35412467118235,
"density_atomic": 0.08142592829847221,
"volume": 85.96770274869976,
"volume_molar": 7.395851525235841,
"formula_full": "Sr1 Sm1 Al1 O4",
"formula_reduced": "SrSmAlO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5111302835714289,
"spacegroup": 107
},
{
"id": "jvasp-21295",
"created_at": "2022-09-04T14:37:06.300231Z",
"updated_at": "2022-09-04T14:37:06.300259Z",
"structure_string": "Mg2 Ti2 Si4 O12\n1.0\n4.822602 -0.148801 0.834201\n0.949118 6.494256 0.618247\n-0.281122 0.077714 6.585845\nMg Ti Si O\n2 2 4 12\ndirect\n0.750000 0.275612 0.724388 Mg\n0.250001 0.724388 0.275614 Mg\n0.249999 0.069927 0.930074 Ti\n0.749999 0.930075 0.069927 Ti\n0.287894 0.209979 0.402044 Si\n0.212105 0.597956 0.790022 Si\n0.787894 0.402044 0.209979 Si\n0.712106 0.790021 0.597957 Si\n0.648066 0.966588 0.760664 O\n0.851934 0.239336 0.033412 O\n0.631347 0.623672 0.146847 O\n0.868652 0.853155 0.376329 O\n0.368653 0.376327 0.853154 O\n-0.092718 0.582829 0.700665 O\n0.092718 0.417171 0.299336 O\n0.407283 0.700664 0.582831 O\n0.351933 0.033412 0.239337 O\n0.592718 0.299337 0.417170 O\n0.131348 0.146845 0.623672 O\n0.148067 0.760664 0.966589 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Ti",
"density": 3.572136966734214,
"density_atomic": 0.09589002928200278,
"volume": 208.57225876094003,
"volume_molar": 6.28025750444762,
"formula_full": "Mg2 Ti2 Si4 O12",
"formula_reduced": "MgTi(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5568675583333333,
"spacegroup": 15
},
{
"id": "jvasp-107144",
"created_at": "2022-09-04T14:36:55.115198Z",
"updated_at": "2022-09-04T14:36:55.115223Z",
"structure_string": "Rb2 Tl1 As1 I6\n1.0\n7.451707 0.000000 4.302245\n2.483902 7.025537 4.302245\n-0.000000 -0.000000 8.604490\nRb Tl As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.763748 0.236252 0.236252 I\n0.236252 0.236252 0.763748 I\n0.236252 0.763748 0.763749 I\n0.236252 0.763748 0.236252 I\n0.763748 0.236252 0.763748 I\n0.763748 0.763748 0.236253 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"I"
],
"chemical_system": "As-I-Rb-Tl",
"density": 4.466548585190024,
"density_atomic": 0.022199314825697054,
"volume": 450.46435345042244,
"volume_molar": 27.127597438408355,
"formula_full": "Rb2 Tl1 As1 I6",
"formula_reduced": "Rb2TlAsI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-22415",
"created_at": "2022-09-04T14:37:11.885496Z",
"updated_at": "2022-09-04T14:37:11.885525Z",
"structure_string": "Sr6 Mg2 Ir2 O12\n1.0\n6.713100 0.009713 -0.271692\n-0.283302 6.707126 -0.271692\n0.009299 0.009713 6.718588\nSr Mg Ir O\n6 2 2 12\ndirect\n0.884453 0.249999 0.615547 Sr\n0.384453 0.115546 0.750000 Sr\n0.750000 0.384453 0.115547 Sr\n0.115547 0.750000 0.384454 Sr\n0.615547 0.884453 0.250001 Sr\n0.250000 0.615547 0.884454 Sr\n0.750000 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.095554 0.288520 0.963869 O\n0.788521 0.595553 0.463869 O\n0.536131 0.211479 0.404447 O\n0.404447 0.536131 0.211480 O\n0.211480 0.404446 0.536132 O\n0.711480 0.036130 0.904447 O\n0.904447 0.711479 0.036132 O\n0.036132 0.904447 0.711480 O\n0.463869 0.788520 0.595554 O\n0.595554 0.463868 0.788521 O\n0.963869 0.095553 0.288521 O\n0.288521 0.963869 0.095554 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ir-Mg-O-Sr",
"density": 6.315645172436947,
"density_atomic": 0.07271227883241835,
"volume": 302.562378091655,
"volume_molar": 8.282151043401301,
"formula_full": "Sr6 Mg2 Ir2 O12",
"formula_reduced": "Sr3MgIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.590688189090909,
"spacegroup": 167
},
{
"id": "jvasp-103953",
"created_at": "2022-09-04T14:36:55.141387Z",
"updated_at": "2022-09-04T14:36:55.141406Z",
"structure_string": "Hf1 H10 C7 O4\n1.0\n4.506718 0.087208 -0.395826\n1.638008 4.649790 0.093969\n-1.000897 0.186846 9.135966\nHf H C O\n1 10 7 4\ndirect\n0.675907 0.163472 0.806399 Hf\n-0.282217 0.914736 0.339345 H\n0.170295 0.773776 0.528895 H\n0.243150 0.403063 0.502365 H\n0.614209 0.565093 0.164756 H\n0.552293 0.695401 0.420783 H\n0.088409 0.684966 0.149428 H\n0.321669 0.432635 0.297960 H\n0.337011 0.785027 0.856961 H\n0.517030 0.172703 0.114583 H\n0.848851 0.269041 0.298131 H\n-0.022315 0.566276 0.667919 C\n0.055992 0.609275 0.517079 C\n0.122067 0.121582 -0.015295 C\n0.769257 0.691882 0.383342 C\n0.824332 0.487719 0.256932 C\n0.124441 0.469371 0.200993 C\n0.253246 0.243278 0.097960 C\n0.881973 0.328390 0.674946 O\n0.271805 0.513027 0.779147 O\n0.741211 0.812942 0.701438 O\n0.383073 0.950619 0.910412 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 2.972000595409697,
"density_atomic": 0.11696456396901704,
"volume": 188.09115558988978,
"volume_molar": 5.1486882485153505,
"formula_full": "Hf1 H10 C7 O4",
"formula_reduced": "HfH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.772040318181818,
"spacegroup": 1
}
]
}