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=4453",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4451",
"results": [
{
"id": "jvasp-102739",
"created_at": "2022-09-04T14:36:55.043038Z",
"updated_at": "2022-09-04T14:36:55.043068Z",
"structure_string": "K2 Zn3 Ge1 As4\n1.0\n7.670525 0.066020 0.000000\n-5.502328 5.344689 0.000000\n-0.000000 -0.000000 5.821123\nK Zn Ge As\n2 3 1 4\ndirect\n0.500000 -0.000000 0.247947 K\n-0.000000 0.500000 0.752053 K\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Ge\n0.645526 0.866874 0.755739 As\n0.133126 0.354474 0.244260 As\n0.866874 0.645526 0.244260 As\n0.354474 0.133126 0.755739 As\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Zn",
"Ge",
"As"
],
"chemical_system": "As-Ge-K-Zn",
"density": 4.460668700333534,
"density_atomic": 0.04153502096083186,
"volume": 240.76068264008217,
"volume_molar": 14.498947203322633,
"formula_full": "K2 Zn3 Ge1 As4",
"formula_reduced": "K2Zn3GeAs4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.3836970150000001,
"spacegroup": 21
},
{
"id": "jvasp-103944",
"created_at": "2022-09-04T14:36:55.056601Z",
"updated_at": "2022-09-04T14:36:55.056634Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n5.575418 0.098349 -0.810583\n-2.462637 4.841939 -1.604572\n-0.066337 0.151725 5.970902\nZr H C O\n1 6 5 4\ndirect\n0.341591 0.765688 0.681270 Zr\n-0.008127 0.624820 -0.071960 H\n-0.023668 0.091355 0.884031 H\n0.899502 0.287558 0.311015 H\n0.765152 0.465271 0.428874 H\n0.208597 0.909822 0.260510 H\n0.288764 0.163389 0.513278 H\n0.470642 0.466806 0.143329 C\n0.770281 0.062041 0.852200 C\n0.423945 0.570303 0.329697 C\n0.675503 0.239916 0.894249 C\n0.522474 0.377881 0.920603 C\n0.429502 0.448764 0.737049 O\n0.914436 0.415060 0.464374 O\n0.151805 0.785826 0.945417 O\n0.213763 0.959546 0.436215 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.2403177254793687,
"density_atomic": 0.0975336466166806,
"volume": 164.04595290978915,
"volume_molar": 6.174423872069261,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.608107406249999,
"spacegroup": 1
},
{
"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-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-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-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
},
{
"id": "jvasp-48301",
"created_at": "2022-09-04T14:36:55.158638Z",
"updated_at": "2022-09-04T14:36:55.158660Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n-2.833116 4.628459 0.000000\n2.833116 0.000000 5.567487\n2.833116 4.628459 0.000000\nLi Fe P O\n2 2 2 8\ndirect\n0.436844 0.250000 0.436844 Li\n0.186844 0.750000 0.186844 Li\n0.808166 0.250000 0.808166 Fe\n0.558166 0.750000 0.558166 Fe\n0.129527 0.250000 0.129527 P\n0.879527 0.750000 0.879528 P\n0.798754 0.090685 0.245573 O\n0.322270 0.103926 0.133866 O\n0.737793 0.603926 0.218344 O\n0.836259 0.590686 0.708070 O\n0.133866 0.396074 0.322270 O\n0.245573 0.409315 0.798755 O\n0.708069 0.909315 0.836259 O\n0.218343 0.896074 0.737794 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.588217363993611,
"density_atomic": 0.09588221331717783,
"volume": 146.0124825622045,
"volume_molar": 6.280769447904579,
"formula_full": "Li2 Fe2 P2 O8",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.442147857142857,
"spacegroup": 43
},
{
"id": "jvasp-100880",
"created_at": "2022-09-04T14:36:55.193467Z",
"updated_at": "2022-09-04T14:36:55.193486Z",
"structure_string": "K2 Y1 In1 F6\n1.0\n5.767347 -0.000000 3.329780\n1.922449 5.437507 3.329780\n-0.000000 -0.000000 6.659559\nK Y In F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 In\n0.770377 0.229624 0.229624 F\n0.229624 0.229624 0.770376 F\n0.229624 0.770377 0.770376 F\n0.229624 0.770377 0.229624 F\n0.770377 0.229624 0.770376 F\n0.770377 0.770377 0.229623 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Y",
"In",
"F"
],
"chemical_system": "F-In-K-Y",
"density": 3.1479305353806293,
"density_atomic": 0.04788269852661964,
"volume": 208.84370153951653,
"volume_molar": 12.576861675103972,
"formula_full": "K2 Y1 In1 F6",
"formula_reduced": "K2YInF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104161",
"created_at": "2022-09-04T14:36:55.181669Z",
"updated_at": "2022-09-04T14:36:55.181688Z",
"structure_string": "H3 C3 S2 N1\n1.0\n4.814992 0.006752 0.590020\n0.298962 4.490295 2.479586\n-0.017988 0.010648 5.138572\nH C S N\n3 3 2 1\ndirect\n0.877742 0.600828 0.697556 H\n0.401816 0.731598 0.763585 H\n0.926063 0.797373 0.891467 H\n0.901953 0.573139 0.921012 C\n0.638694 0.457023 0.118089 C\n0.165145 0.376593 0.037738 C\n0.624549 0.284095 0.483426 S\n0.179209 0.011208 0.210787 S\n0.401817 0.534009 0.961027 N\n",
"nsites": 9,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.752998925030906,
"density_atomic": 0.08107273012653621,
"volume": 111.01143363438032,
"volume_molar": 7.428071992395963,
"formula_full": "H3 C3 S2 N1",
"formula_reduced": "H3C3S2N",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 4.584220361111111,
"spacegroup": 5
},
{
"id": "jvasp-107410",
"created_at": "2022-09-04T14:36:55.226046Z",
"updated_at": "2022-09-04T14:36:55.226069Z",
"structure_string": "Rb2 Ga1 Hg1 Cl6\n1.0\n6.366792 -0.000000 3.675869\n2.122264 6.002669 3.675869\n-0.000000 -0.000000 7.351738\nRb Ga Hg Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.767124 0.232876 0.232876 Cl\n0.232875 0.232876 0.767125 Cl\n0.232875 0.767124 0.767125 Cl\n0.232875 0.767124 0.232876 Cl\n0.767124 0.232876 0.767125 Cl\n0.767124 0.767124 0.232876 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Hg",
"Cl"
],
"chemical_system": "Cl-Ga-Hg-Rb",
"density": 3.8650007837496787,
"density_atomic": 0.03559138764165391,
"volume": 280.9668479544369,
"volume_molar": 16.920219072751372,
"formula_full": "Rb2 Ga1 Hg1 Cl6",
"formula_reduced": "Rb2GaHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}