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=density&page=529",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=527",
"results": [
{
"id": "jvasp-112170",
"created_at": "2022-09-04T14:38:45.004118Z",
"updated_at": "2022-09-04T14:38:45.004146Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.737377 -0.074381 -0.218617\n-0.785671 4.245236 -0.288727\n0.121196 -0.001381 8.778504\nCd H C O\n1 6 5 4\ndirect\n0.110468 0.466000 0.758519 Cd\n0.647119 0.719978 0.432276 H\n0.196448 0.715151 0.370139 H\n0.868064 0.209487 0.296904 H\n0.795293 0.662951 0.159041 H\n0.415293 0.218385 0.234957 H\n0.348451 0.668827 0.101753 H\n0.422157 0.069244 0.546385 C\n0.460476 0.875004 0.400944 C\n0.598314 0.060158 0.265547 C\n0.615260 0.825636 0.129173 C\n0.752803 0.950394 0.981201 C\n0.181180 0.959375 0.638275 O\n0.620149 0.345459 0.575060 O\n0.959189 0.220543 0.981513 O\n0.667860 0.760068 0.859304 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.8995926177352103,
"density_atomic": 0.11520695141856302,
"volume": 138.88050853693503,
"volume_molar": 5.227237320186278,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.121607109375,
"spacegroup": 1
},
{
"id": "jvasp-44224",
"created_at": "2022-09-04T14:38:08.066788Z",
"updated_at": "2022-09-04T14:38:08.066810Z",
"structure_string": "Cr4 O12\n1.0\n5.101324 0.000000 0.000000\n0.000000 5.654633 0.000000\n0.000000 0.000000 7.940245\nCr O\n4 12\ndirect\n0.561032 0.262295 0.311287 Cr\n0.061032 0.237705 0.811288 Cr\n0.938967 0.762295 0.311287 Cr\n0.438967 0.737705 0.811288 Cr\n0.879894 0.202454 0.649961 O\n0.311101 0.028451 0.811287 O\n0.379895 0.297546 0.472614 O\n0.879894 0.202453 0.972614 O\n0.811101 0.471548 0.311287 O\n0.379895 0.297546 0.149960 O\n0.620105 0.702453 0.649961 O\n0.188899 0.528451 0.811287 O\n0.120105 0.797546 0.472614 O\n0.620105 0.702453 0.972614 O\n0.688898 0.971548 0.311287 O\n0.120105 0.797546 0.149960 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.899766973568378,
"density_atomic": 0.0698552013147259,
"volume": 229.0452206688738,
"volume_molar": 8.620890995457621,
"formula_full": "Cr4 O12",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5788144750000006,
"spacegroup": 62
},
{
"id": "jvasp-101977",
"created_at": "2022-09-04T14:37:51.074103Z",
"updated_at": "2022-09-04T14:37:51.074120Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.977387 -0.073103 -0.193621\n-0.907975 4.232406 -0.080124\n-0.199501 0.042410 12.963957\nH Pb C O\n12 1 8 4\ndirect\n0.492461 0.221651 0.544822 H\n0.056109 0.129802 0.577075 H\n0.028759 0.148230 0.163149 H\n0.599813 0.080143 0.200528 H\n0.403367 0.705009 0.453029 H\n0.256245 0.180788 0.353365 H\n0.173917 0.672430 0.261871 H\n0.747195 0.604318 0.300194 H\n0.947298 0.655253 0.076474 H\n0.510986 0.563634 0.108758 H\n0.974394 0.636731 0.490386 H\n0.829489 0.112573 0.391663 H\n0.001636 0.892598 0.826785 Pb\n0.380417 0.528910 0.659790 C\n0.273819 0.326969 0.562037 C\n0.177921 0.515795 0.469693 C\n0.052775 0.303018 0.373485 C\n0.950604 0.482030 0.280062 C\n0.825331 0.269273 0.183857 C\n0.729510 0.458177 0.091523 C\n0.622712 0.256295 0.993769 C\n0.229462 0.439423 0.743080 O\n0.611096 0.784032 0.657892 O\n0.773438 0.345824 0.910446 O\n0.392057 0.001160 -0.004308 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.9000267155858284,
"density_atomic": 0.1150853963504576,
"volume": 217.22999435888545,
"volume_molar": 5.232758413292856,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5315569928,
"spacegroup": 2
},
{
"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-93208",
"created_at": "2022-09-04T14:36:21.646840Z",
"updated_at": "2022-09-04T14:36:21.646860Z",
"structure_string": "Mg6 Ti1 Nb1\n1.0\n6.337411 0.299572 0.000000\n-2.909268 5.039000 0.000000\n0.000000 0.000000 5.001942\nMg Ti Nb\n6 1 1\ndirect\n0.650596 0.324971 0.250000 Mg\n0.650596 0.825624 0.250000 Mg\n0.332709 0.163424 0.750000 Mg\n0.332709 0.669287 0.750000 Mg\n0.863687 0.181843 0.750000 Mg\n0.862026 0.681013 0.750000 Mg\n0.155940 0.327970 0.250000 Ti\n0.151735 0.825867 0.250000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Nb"
],
"chemical_system": "Mg-Nb-Ti",
"density": 2.9002924533464696,
"density_atomic": 0.048753003276525333,
"volume": 164.09245507654737,
"volume_molar": 12.352348276561811,
"formula_full": "Mg6 Ti1 Nb1",
"formula_reduced": "Mg6TiNb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6410677541666666,
"spacegroup": 38
},
{
"id": "jvasp-119317",
"created_at": "2022-09-04T14:38:30.380448Z",
"updated_at": "2022-09-04T14:38:30.380468Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n4.996268 0.001709 0.645610\n2.468875 4.325279 0.703748\n0.560952 0.526935 8.490599\nLi Co Si O\n2 2 2 8\ndirect\n0.930815 0.079849 0.118511 Li\n0.097886 0.041957 0.632118 Li\n0.616955 0.680387 0.144261 Co\n0.401530 0.339704 0.638787 Co\n0.728653 0.645779 0.776450 Si\n0.255486 0.331321 0.277648 Si\n0.409911 -0.017762 0.778710 O\n0.022520 0.697098 0.682621 O\n0.798003 0.479137 0.963515 O\n0.242538 0.668183 0.198490 O\n0.705043 0.409542 0.679738 O\n0.334752 0.223164 0.465929 O\n0.920953 0.352235 0.272844 O\n0.534965 0.069101 0.169201 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.9003694417527184,
"density_atomic": 0.07740385227660086,
"volume": 180.86955091035168,
"volume_molar": 7.780156391286599,
"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.444576214285714,
"spacegroup": 1
},
{
"id": "jvasp-104016",
"created_at": "2022-09-04T14:36:59.112224Z",
"updated_at": "2022-09-04T14:36:59.112240Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.973967 -0.064699 -0.191753\n-0.919159 4.233797 -0.089296\n-0.186036 0.059752 12.961570\nH Pb C O\n12 1 8 4\ndirect\n0.492284 0.231820 0.543036 H\n0.056319 0.139378 0.575433 H\n0.027195 0.157686 0.161534 H\n0.598678 0.089511 0.199154 H\n0.402528 0.713297 0.451408 H\n0.254662 0.190097 0.351757 H\n0.172713 0.680450 0.260357 H\n0.746294 0.612761 0.298806 H\n0.944668 0.663564 0.075152 H\n0.508643 0.570821 0.107498 H\n0.974049 0.645310 0.489054 H\n0.828275 0.122506 0.390229 H\n0.000634 0.901373 0.825279 Pb\n0.379820 0.538101 0.658254 C\n0.273583 0.335934 0.560404 C\n0.177276 0.525078 0.468179 C\n0.051553 0.311825 0.371979 C\n0.949460 0.491091 0.278597 C\n0.823868 0.277817 0.182393 C\n0.727498 0.466894 0.090156 C\n0.621571 0.264680 0.992306 C\n0.228780 0.448111 0.741760 O\n0.609942 0.794077 0.656258 O\n0.772936 0.354628 0.908852 O\n0.391425 0.008706 -0.005742 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.90060292206495,
"density_atomic": 0.11510826267464452,
"volume": 217.18684149254278,
"volume_molar": 5.231718922751605,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5312785928,
"spacegroup": 2
},
{
"id": "jvasp-104017",
"created_at": "2022-09-04T14:37:16.012368Z",
"updated_at": "2022-09-04T14:37:16.012386Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.973777 -0.075285 -0.191299\n-0.907342 4.236377 -0.083682\n-0.186372 0.042976 12.961316\nH Pb C O\n12 1 8 4\ndirect\n0.498668 0.236453 0.542486 H\n0.062634 0.143524 0.574849 H\n0.033088 0.161987 0.160957 H\n0.604612 0.093873 0.198632 H\n0.408442 0.717720 0.450868 H\n0.260902 0.194501 0.351189 H\n0.178744 0.684750 0.259778 H\n0.752395 0.617107 0.298290 H\n0.950532 0.667888 0.074594 H\n0.514580 0.575240 0.107022 H\n-0.020076 0.649448 0.488509 H\n0.834514 0.126741 0.389674 H\n0.006533 0.905760 0.824752 Pb\n0.385573 0.542420 0.657712 C\n0.279737 0.340263 0.559847 C\n0.183287 0.529374 0.467629 C\n0.057710 0.316138 0.371419 C\n0.955519 0.495403 0.278048 C\n0.829810 0.282148 0.181851 C\n0.733365 0.471265 0.089633 C\n0.627204 0.269076 0.991786 C\n0.234098 0.452420 0.741150 O\n0.615710 0.798404 0.655784 O\n0.778331 0.359028 0.908287 O\n0.397079 0.013107 -0.006219 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.9006894237234824,
"density_atomic": 0.11511169542842009,
"volume": 217.18036474882564,
"volume_molar": 5.231562907302281,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5312781928,
"spacegroup": 2
},
{
"id": "jvasp-90813",
"created_at": "2022-09-04T14:35:55.024708Z",
"updated_at": "2022-09-04T14:35:55.024723Z",
"structure_string": "Si8\n1.0\n4.778039 2.461695 0.000000\n-4.778039 2.461695 0.000000\n0.000000 -0.000000 5.467271\nSi\n8\ndirect\n0.500027 0.500027 0.774939 Si\n0.499975 0.499975 0.225061 Si\n-0.000026 -0.000026 0.274939 Si\n0.000026 0.000026 0.725060 Si\n0.284093 0.715909 0.500000 Si\n0.784093 0.215909 0.000000 Si\n0.715909 0.284093 0.500000 Si\n0.215909 0.784093 0.000000 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.9009264208165546,
"density_atomic": 0.06220215857505643,
"volume": 128.6128999903882,
"volume_molar": 9.681562341174006,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.4026299999999998,
"spacegroup": 69
},
{
"id": "jvasp-111990",
"created_at": "2022-09-04T14:38:52.604304Z",
"updated_at": "2022-09-04T14:38:52.604328Z",
"structure_string": "Li4 V2 F12\n1.0\n5.283648 0.154351 -0.000000\n-2.629020 4.585740 0.000000\n-0.000000 -0.000000 8.309261\nLi V F\n4 2 12\ndirect\n0.544839 0.455161 0.022308 Li\n0.773805 0.226195 0.570621 Li\n0.226196 0.773804 0.070621 Li\n0.455161 0.544839 0.522307 Li\n0.879341 0.120658 0.235067 V\n0.120659 0.879341 0.735067 V\n0.374934 0.146650 0.585458 F\n0.902752 0.634522 0.902529 F\n0.146650 0.374934 0.085458 F\n0.918685 0.081314 0.735275 F\n0.081315 0.918685 0.235275 F\n0.625066 0.853350 0.085458 F\n0.097248 0.365478 0.402529 F\n0.365478 0.097248 0.902529 F\n0.634522 0.902752 0.402529 F\n0.676707 0.323293 0.208615 F\n0.853350 0.625066 0.585458 F\n0.323294 0.676706 0.708615 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.9010915304681766,
"density_atomic": 0.08793333021551851,
"volume": 204.70053796305956,
"volume_molar": 6.8485302958959355,
"formula_full": "Li4 V2 F12",
"formula_reduced": "Li2VF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3006395438888888,
"spacegroup": 36
},
{
"id": "jvasp-25132",
"created_at": "2022-09-04T14:37:27.749356Z",
"updated_at": "2022-09-04T14:37:27.749379Z",
"structure_string": "Si4\n1.0\n-1.268374 -2.111024 -2.732924\n-1.268374 -2.111024 2.732924\n-2.826185 4.571172 0.000000\nSi\n4\ndirect\n0.725093 0.274904 -0.000000 Si\n0.274904 0.725093 -0.000000 Si\n0.784038 0.784038 0.568080 Si\n0.215959 0.215959 0.431918 Si\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.9011820923346994,
"density_atomic": 0.0622076407273098,
"volume": 64.30078288186806,
"volume_molar": 9.680709137320198,
"formula_full": "Si4",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.4027599999999998,
"spacegroup": 69
},
{
"id": "jvasp-90595",
"created_at": "2022-09-04T14:35:54.804807Z",
"updated_at": "2022-09-04T14:35:54.804835Z",
"structure_string": "Mg6 Ga2\n1.0\n6.137860 0.000000 -0.000000\n-3.068930 5.315543 0.000000\n0.000000 -0.000000 5.004655\nMg Ga\n6 2\ndirect\n0.661777 0.830888 0.749999 Mg\n0.169111 0.338222 0.749999 Mg\n0.169111 0.830888 0.749999 Mg\n0.830889 0.661777 0.250000 Mg\n0.830889 0.169111 0.250000 Mg\n0.338222 0.169111 0.250000 Mg\n0.666667 0.333333 0.749999 Ga\n0.333333 0.666667 0.250000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 2.9011860161751244,
"density_atomic": 0.04899493982357567,
"volume": 163.28216809341836,
"volume_molar": 12.291352498206829,
"formula_full": "Mg6 Ga2",
"formula_reduced": "Mg3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 0.092511,
"spacegroup": 194
}
]
}