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=126",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=124",
"results": [
{
"id": "jvasp-101822",
"created_at": "2022-09-04T14:36:52.015442Z",
"updated_at": "2022-09-04T14:36:52.015462Z",
"structure_string": "H14 C16 N2 O2\n1.0\n3.943758 -0.022926 -0.059886\n0.264318 8.443982 3.751592\n-0.258349 0.124833 9.166822\nH C N O\n14 16 2 2\ndirect\n0.118438 0.643461 0.764139 H\n0.232682 0.975788 0.117375 H\n0.232681 0.475788 0.617374 H\n0.697319 0.806582 0.678649 H\n0.806257 0.639018 0.532653 H\n0.806257 0.139018 0.032652 H\n0.918676 0.164686 0.764497 H\n0.697318 0.306582 0.178649 H\n0.412979 0.219200 0.458118 H\n0.412981 0.719200 0.958118 H\n0.698365 0.310368 0.591515 H\n0.698368 0.810368 0.091515 H\n0.118438 0.143461 0.264139 H\n0.918678 0.664684 0.264498 H\n0.528490 0.795786 0.314599 C\n0.324606 0.935665 0.242889 C\n0.324604 0.435666 0.742890 C\n0.261147 0.030019 0.324376 C\n0.261148 0.530019 0.824377 C\n0.485575 0.078717 0.698159 C\n0.485575 0.578717 0.198157 C\n0.528489 0.295786 0.814598 C\n0.586505 0.341139 0.057346 C\n0.405020 0.487000 0.979675 C\n0.646626 0.747677 0.474534 C\n0.646624 0.247678 0.974534 C\n0.586506 0.841138 0.557346 C\n0.664115 0.217414 0.712782 C\n0.664116 0.717416 0.212784 C\n0.405020 0.987000 0.479674 C\n0.406877 0.603245 0.042746 N\n0.406877 0.103246 0.542748 N\n0.445038 0.450896 0.316423 O\n0.445040 0.950897 0.816422 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.4576362347048368,
"density_atomic": 0.11207704727437283,
"volume": 303.36273864144107,
"volume_molar": 5.373215039523087,
"formula_full": "H14 C16 N2 O2",
"formula_reduced": "H7C8NO",
"formula_anonymous": "ABC7D8",
"energy_above_hull": 5.434016279411764,
"spacegroup": 1
},
{
"id": "jvasp-28650",
"created_at": "2022-09-04T14:37:05.044775Z",
"updated_at": "2022-09-04T14:37:05.044800Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257425 -0.000005 -0.000014\n-1.628716 2.821025 0.000056\n-0.000145 0.000527 34.561174\nMo W Se S\n2 2 4 4\ndirect\n0.333307 0.666592 0.093362 Mo\n0.333309 0.666658 0.472113 Mo\n0.666675 0.333356 0.279185 W\n0.666705 0.333398 0.658251 W\n0.333333 0.666664 0.328637 Se\n0.666650 0.333348 0.422975 Se\n0.666638 0.333309 0.521243 Se\n0.333346 0.666705 0.229749 Se\n0.333360 0.666697 0.703165 S\n0.666644 0.333275 0.048669 S\n0.666639 0.333251 0.138111 S\n0.333375 0.666752 0.613290 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.24766680236247,
"density_atomic": 0.037784335121049284,
"volume": 317.5919322532929,
"volume_molar": 15.93819433558095,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.673568772222223,
"spacegroup": 156
},
{
"id": "jvasp-102377",
"created_at": "2022-09-04T14:37:03.909670Z",
"updated_at": "2022-09-04T14:37:03.909695Z",
"structure_string": "K2 Nd1 Cu1 I6\n1.0\n7.247691 -0.000000 4.184456\n2.415897 6.833188 4.184456\n-0.000000 -0.000000 8.368913\nK Nd Cu I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.760212 0.239788 0.239788 I\n0.239788 0.239788 0.760212 I\n0.239788 0.760212 0.760212 I\n0.239788 0.760212 0.239788 I\n0.760212 0.239788 0.760212 I\n0.760212 0.760212 0.239788 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Nd",
"Cu",
"I"
],
"chemical_system": "Cu-I-K-Nd",
"density": 4.196375186084625,
"density_atomic": 0.02412725465711074,
"volume": 414.4690368679313,
"volume_molar": 24.959908806803124,
"formula_full": "K2 Nd1 Cu1 I6",
"formula_reduced": "K2NdCuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107625",
"created_at": "2022-09-04T14:36:45.656719Z",
"updated_at": "2022-09-04T14:36:45.656735Z",
"structure_string": "Rb2 Ag1 Bi1 Cl6\n1.0\n6.567906 -0.000000 3.791982\n2.189302 6.192281 3.791982\n-0.000000 -0.000000 7.583965\nRb Ag Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Bi\n0.747838 0.252162 0.252162 Cl\n0.252162 0.252162 0.747837 Cl\n0.252162 0.747838 0.747837 Cl\n0.252162 0.747838 0.252162 Cl\n0.747838 0.252162 0.747837 Cl\n0.747838 0.747838 0.252161 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Bi",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-Rb",
"density": 3.7712445576073956,
"density_atomic": 0.03242097679942202,
"volume": 308.44227988153256,
"volume_molar": 18.574828257819053,
"formula_full": "Rb2 Ag1 Bi1 Cl6",
"formula_reduced": "Rb2AgBiCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106902",
"created_at": "2022-09-04T14:36:52.192571Z",
"updated_at": "2022-09-04T14:36:52.192597Z",
"structure_string": "K2 Li1 Pr1 I6\n1.0\n7.340064 -0.000000 4.237788\n2.446688 6.920279 4.237788\n-0.000000 0.000000 8.475576\nK Li Pr I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Pr\n0.741798 0.258202 0.258202 I\n0.258202 0.258202 0.741799 I\n0.258202 0.741798 0.741799 I\n0.258202 0.741798 0.258202 I\n0.741798 0.258202 0.741799 I\n0.741798 0.741798 0.258202 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Pr",
"I"
],
"chemical_system": "I-K-Li-Pr",
"density": 3.808739281628455,
"density_atomic": 0.02322775982923172,
"volume": 430.5193472603062,
"volume_molar": 25.926481091048842,
"formula_full": "K2 Li1 Pr1 I6",
"formula_reduced": "K2LiPrI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101876",
"created_at": "2022-09-04T14:36:52.187469Z",
"updated_at": "2022-09-04T14:36:52.187496Z",
"structure_string": "Sn1 H6 C4 O4\n1.0\n5.490855 -0.114035 2.909346\n2.310745 5.221184 1.871733\n0.006501 -0.085758 6.008245\nSn H C O\n1 6 4 4\ndirect\n0.469729 0.222698 0.886596 Sn\n0.965582 0.539565 0.949715 H\n0.965692 0.285363 0.202638 H\n0.035347 0.542129 0.207244 H\n-0.013155 0.966942 0.628467 H\n0.935114 0.270830 0.682124 H\n0.935575 0.014635 0.934511 H\n0.056813 0.421727 0.085816 C\n0.885246 0.103876 0.768068 C\n0.478623 0.027218 0.472576 C\n0.478727 0.808573 0.691137 C\n0.478591 -0.005847 0.277214 O\n0.475900 0.848734 0.890007 O\n0.475560 0.226192 0.512813 O\n0.478609 0.613228 0.658105 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.259362631710727,
"density_atomic": 0.08618863442080044,
"volume": 174.0368680952202,
"volume_molar": 6.987163447326461,
"formula_full": "Sn1 H6 C4 O4",
"formula_reduced": "SnH6(CO)4",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.071171046666666,
"spacegroup": 8
},
{
"id": "jvasp-102792",
"created_at": "2022-09-04T14:36:52.154161Z",
"updated_at": "2022-09-04T14:36:52.154188Z",
"structure_string": "Cd2 In1 Cu1 Se4\n1.0\n7.320770 0.009851 3.669840\n6.080558 4.076834 3.669840\n0.006053 0.001846 7.348499\nCd In Cu Se\n2 1 1 4\ndirect\n0.497290 0.497289 0.184729 Cd\n0.996620 0.996618 0.654108 Cd\n0.750905 0.750905 0.596223 In\n0.252119 0.252119 0.066009 Cu\n0.076506 0.076507 0.252138 Se\n0.562077 0.562077 0.773996 Se\n0.806805 0.806805 0.882338 Se\n0.305041 0.305041 0.340460 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"In",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-In-Se",
"density": 5.457374140660304,
"density_atomic": 0.036566216260772604,
"volume": 218.78118159526983,
"volume_molar": 16.469138390072953,
"formula_full": "Cd2 In1 Cu1 Se4",
"formula_reduced": "Cd2InCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0618629233333333,
"spacegroup": 8
},
{
"id": "jvasp-10088",
"created_at": "2022-09-04T14:36:52.181030Z",
"updated_at": "2022-09-04T14:36:52.181050Z",
"structure_string": "K1 Cr1 P2 S7\n1.0\n6.227738 0.017499 -0.561267\n-0.643143 6.377786 -0.742095\n0.023156 0.021007 6.452869\nK Cr P S\n1 1 2 7\ndirect\n0.500001 0.898561 0.101440 K\n0.000001 0.499930 0.500071 Cr\n0.919776 0.951530 0.643037 P\n0.080226 0.356964 0.048472 P\n0.000001 0.021941 0.978059 S\n0.233168 0.474201 0.816306 S\n0.714140 0.687245 0.633179 S\n0.285861 0.366822 0.312757 S\n0.819107 0.491538 0.148020 S\n0.180894 0.851981 0.508463 S\n0.766833 0.183695 0.525800 S\n",
"nsites": 11,
"nelements": 4,
"elements": [
"K",
"Cr",
"P",
"S"
],
"chemical_system": "Cr-K-P-S",
"density": 2.4432575829746446,
"density_atomic": 0.04287453529280931,
"volume": 256.56254755593494,
"volume_molar": 14.045961592054855,
"formula_full": "K1 Cr1 P2 S7",
"formula_reduced": "KCrP2S7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.4840614909090912,
"spacegroup": 5
},
{
"id": "jvasp-107524",
"created_at": "2022-09-04T14:36:59.153725Z",
"updated_at": "2022-09-04T14:36:59.153760Z",
"structure_string": "Sr2 Cu1 C1 O5\n1.0\n3.682056 -0.000000 0.000000\n0.000000 4.316407 0.000000\n-0.000000 -0.000000 7.476226\nSr Cu C O\n2 1 1 5\ndirect\n0.500000 0.508329 0.771755 Sr\n0.500000 0.508329 0.228245 Sr\n-0.000000 0.004467 -0.000000 Cu\n-0.000000 0.971489 0.500000 C\n0.500000 0.029329 -0.000000 O\n-0.000000 0.525628 -0.000000 O\n-0.000000 0.669149 0.500000 O\n-0.000000 0.112641 0.346940 O\n-0.000000 0.112641 0.653061 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O-Sr",
"density": 4.622864120632741,
"density_atomic": 0.07574383856942336,
"volume": 118.82154601593116,
"volume_molar": 7.95066750476394,
"formula_full": "Sr2 Cu1 C1 O5",
"formula_reduced": "Sr2CuCO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.937035618888889,
"spacegroup": 25
},
{
"id": "jvasp-104001",
"created_at": "2022-09-04T14:36:52.150381Z",
"updated_at": "2022-09-04T14:36:52.150399Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.736221 0.019561 0.942737\n1.888046 5.348108 2.217512\n0.256653 -0.040552 6.765463\nSn H C F\n2 8 4 4\ndirect\n0.601989 0.546911 0.517667 Sn\n0.835081 0.018134 0.018330 Sn\n0.043858 0.267236 0.158606 H\n0.393164 0.297876 0.377354 H\n0.729920 0.095575 0.496895 H\n0.707094 0.469500 0.039068 H\n0.486335 0.880887 0.721830 H\n0.222660 0.582527 0.991710 H\n0.950739 0.684184 0.814143 H\n0.214415 0.982545 0.544258 H\n0.630740 0.271804 0.375973 C\n0.806291 0.293283 0.159991 C\n0.326809 0.825622 0.674899 C\n0.110262 0.739451 0.861071 C\n0.482418 0.860694 0.180153 F\n0.954604 0.704387 0.355769 F\n0.959937 0.332110 0.704281 F\n0.477196 0.233000 0.831657 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.6054177945995223,
"density_atomic": 0.10576479580195124,
"volume": 170.18895430674033,
"volume_molar": 5.693899103513325,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.870925807222222,
"spacegroup": 2
},
{
"id": "jvasp-103691",
"created_at": "2022-09-04T14:36:52.192361Z",
"updated_at": "2022-09-04T14:36:52.192383Z",
"structure_string": "Nb3 Al1 Sn1 Mo3\n1.0\n5.156017 -0.001309 -0.002861\n-0.002863 5.156016 -0.002861\n-0.001308 -0.001309 5.156017\nNb Al Sn Mo\n3 1 1 3\ndirect\n0.256003 0.998898 0.501073 Nb\n0.998898 0.501073 0.256002 Nb\n0.501073 0.256002 0.998898 Nb\n0.502161 0.502161 0.502161 Al\n0.997880 0.997879 0.997880 Sn\n0.744681 0.999784 0.499526 Mo\n0.999784 0.499525 0.744681 Mo\n0.499526 0.744681 0.999784 Mo\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Nb",
"Al",
"Sn",
"Mo"
],
"chemical_system": "Al-Mo-Nb-Sn",
"density": 8.62833542733873,
"density_atomic": 0.05836429353256473,
"volume": 137.07010769412207,
"volume_molar": 10.318193531529529,
"formula_full": "Nb3 Al1 Sn1 Mo3",
"formula_reduced": "Nb3AlSnMo3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 5.30293505,
"spacegroup": 146
},
{
"id": "jvasp-102677",
"created_at": "2022-09-04T14:36:52.124418Z",
"updated_at": "2022-09-04T14:36:52.124437Z",
"structure_string": "Sr2 Zr1 Mo1 O6\n1.0\n4.062535 -0.000000 0.000000\n0.000000 4.062535 0.000000\n-0.000000 -0.000000 8.213250\nSr Zr Mo O\n2 1 1 6\ndirect\n0.499999 0.499999 0.254542 Sr\n0.499999 0.499999 0.745458 Sr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.254942 O\n0.000000 0.000000 0.745058 O\n-0.000000 0.499999 -0.000000 O\n-0.000000 0.499999 0.500000 O\n0.499999 0.000000 -0.000000 O\n0.499999 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Zr",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sr-Zr",
"density": 5.615453196680628,
"density_atomic": 0.07377185882317981,
"volume": 135.55304366084246,
"volume_molar": 8.16319509372019,
"formula_full": "Sr2 Zr1 Mo1 O6",
"formula_reduced": "Sr2ZrMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5233014019999995,
"spacegroup": 123
}
]
}