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=-energy_above_hull&page=493",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=491",
"results": [
{
"id": "jvasp-28533",
"created_at": "2022-09-04T14:37:30.112657Z",
"updated_at": "2022-09-04T14:37:30.112689Z",
"structure_string": "Te2 Mo2 W1 Se2 S2\n1.0\n3.360012 0.000537 -0.000087\n-1.680452 2.906258 0.139526\n0.000745 0.990814 20.107038\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.589320 0.179151 0.579822 Te\n0.525341 0.051235 0.770197 Te\n0.439740 0.879400 0.025213 Mo\n0.669587 0.338715 0.340689 Mo\n0.223963 0.448485 0.675087 W\n0.800943 0.601783 0.942237 Se\n0.745207 0.490330 0.108180 Se\n0.310870 0.621304 0.416262 S\n0.361627 0.722796 0.265156 S\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 7.230159081856784,
"density_atomic": 0.04594174724886303,
"volume": 195.9002549739275,
"volume_molar": 13.10821011525424,
"formula_full": "Te2 Mo2 W1 Se2 S2",
"formula_reduced": "Te2Mo2W(SeS)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 3.666584896296296,
"spacegroup": 160
},
{
"id": "jvasp-42437",
"created_at": "2022-09-04T14:37:29.529228Z",
"updated_at": "2022-09-04T14:37:29.529265Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.706343 -0.028169 -0.047890\n-0.742167 6.665209 0.047890\n-1.443402 1.297068 5.266675\nTi Mn V O\n1 1 4 12\ndirect\n0.913830 0.913831 0.250000 Ti\n0.084817 0.084817 0.750001 Mn\n0.197511 0.604811 0.762741 V\n0.389040 0.801124 0.261216 V\n0.604811 0.197510 0.737260 V\n0.801123 0.389041 0.238785 V\n0.817173 0.027701 0.859604 O\n0.616018 0.331365 0.421947 O\n0.634168 0.920402 0.248037 O\n0.668861 0.386302 0.925137 O\n0.331365 0.616018 0.078054 O\n0.182037 0.969899 0.122821 O\n0.386302 0.668861 0.574864 O\n0.920402 0.634168 0.251964 O\n0.097485 0.357455 0.774121 O\n0.027702 0.817173 0.640397 O\n0.357455 0.097485 0.725880 O\n0.969899 0.182037 0.377180 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Ti-V",
"density": 3.5307764629566396,
"density_atomic": 0.07676669604243369,
"volume": 234.47667970561466,
"volume_molar": 7.844730945136926,
"formula_full": "Ti1 Mn1 V4 O12",
"formula_reduced": "TiMnV4O12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.665903020817368,
"spacegroup": 5
},
{
"id": "jvasp-102139",
"created_at": "2022-09-04T14:37:11.470601Z",
"updated_at": "2022-09-04T14:37:11.470611Z",
"structure_string": "Zr2 Tc1 Ni1\n1.0\n3.984106 -0.000000 2.300225\n1.328035 3.756251 2.300225\n-0.000000 -0.000000 4.600449\nZr Tc Ni\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Zr\n0.750002 0.750000 0.750001 Zr\n0.000000 0.000000 0.000000 Tc\n0.500001 0.500000 0.500001 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Ni"
],
"chemical_system": "Ni-Tc-Zr",
"density": 8.1798284571099,
"density_atomic": 0.05809975234918848,
"volume": 68.84710929505142,
"volume_molar": 10.365174577347602,
"formula_full": "Zr2 Tc1 Ni1",
"formula_reduced": "Zr2TcNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.665743225,
"spacegroup": 225
},
{
"id": "jvasp-85362",
"created_at": "2022-09-04T14:35:52.677953Z",
"updated_at": "2022-09-04T14:35:52.677980Z",
"structure_string": "Fe13 Ge3\n1.0\n5.712608 0.000155 -0.000007\n-0.000057 5.713287 -0.000051\n-0.000037 0.000121 5.712959\nFe Ge\n13 3\ndirect\n0.252811 0.252865 0.747200 Fe\n0.252855 0.252807 0.252792 Fe\n0.252781 0.747146 0.747177 Fe\n0.747165 0.747214 0.252846 Fe\n0.747144 0.252782 0.252818 Fe\n0.499981 -0.000001 0.500047 Fe\n0.500001 0.499995 0.500001 Fe\n0.747197 0.252832 0.747186 Fe\n0.252831 0.747193 0.252825 Fe\n-0.000001 0.499978 0.499951 Fe\n0.747213 0.747161 0.747153 Fe\n0.500013 0.500026 0.000003 Fe\n0.000013 -0.000007 -0.000002 Fe\n0.500002 0.999974 0.999943 Ge\n0.000011 0.000033 0.500003 Ge\n-0.000025 0.499999 0.000056 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge",
"density": 8.406124386066116,
"density_atomic": 0.085810100493508,
"volume": 186.45823636123683,
"volume_molar": 7.01798590767949,
"formula_full": "Fe13 Ge3",
"formula_reduced": "Fe13Ge3",
"formula_anonymous": "A3B13",
"energy_above_hull": 3.665659959375,
"spacegroup": 221
},
{
"id": "jvasp-59647",
"created_at": "2022-09-04T14:37:53.323350Z",
"updated_at": "2022-09-04T14:37:53.323364Z",
"structure_string": "U6 Se8\n1.0\n7.070125 0.000000 -2.499667\n-3.535063 6.122909 -2.499667\n0.000000 0.000000 7.499000\nU Se\n6 8\ndirect\n0.750001 0.875000 0.125000 U\n0.625001 0.375000 0.250000 U\n0.875001 0.125000 0.750000 U\n0.125000 0.750000 0.875000 U\n0.375000 0.250000 0.625000 U\n0.250001 0.625000 0.375000 U\n0.652734 0.652733 0.652733 Se\n0.347267 0.500000 -0.000000 Se\n0.500000 -0.000000 0.347267 Se\n0.000000 0.347267 0.500000 Se\n0.500000 -0.000000 0.847267 Se\n0.000000 0.847267 0.500000 Se\n0.152734 0.152733 0.152733 Se\n0.847267 0.500000 -0.000000 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"U",
"Se"
],
"chemical_system": "Se-U",
"density": 10.536519423457259,
"density_atomic": 0.043126060217238,
"volume": 324.62970022019385,
"volume_molar": 13.964041068590074,
"formula_full": "U6 Se8",
"formula_reduced": "U3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.665623066666667,
"spacegroup": 220
},
{
"id": "jvasp-8472",
"created_at": "2022-09-04T14:37:03.198113Z",
"updated_at": "2022-09-04T14:37:03.198136Z",
"structure_string": "Np1 Mn2 Ge2\n1.0\n3.823833 -0.000000 -1.330647\n-0.463049 3.795692 -1.330647\n-0.203153 -0.229442 5.575732\nNp Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.499999 Mn\n0.250000 0.750000 0.499999 Mn\n0.627708 0.627708 0.255415 Ge\n0.372292 0.372292 0.744584 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Np",
"density": 10.398595580665582,
"density_atomic": 0.06361986327825674,
"volume": 78.5918067464449,
"volume_molar": 9.465818456196176,
"formula_full": "Np1 Mn2 Ge2",
"formula_reduced": "Np(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.6654672765517247,
"spacegroup": 139
},
{
"id": "jvasp-33944",
"created_at": "2022-09-04T14:38:37.474715Z",
"updated_at": "2022-09-04T14:38:37.474736Z",
"structure_string": "Te9 Mo8 S7\n1.0\n1.868929 2.841536 0.000305\n-7.828683 9.219922 0.043413\n-1.534598 3.043426 14.407517\nTe Mo S\n9 8 7\ndirect\n0.271281 0.674618 0.108072 Te\n0.704891 0.350184 0.889981 Te\n0.033318 0.412245 0.108765 Te\n0.476769 0.075011 0.896573 Te\n0.702905 0.104275 0.385491 Te\n0.790618 0.144959 0.128723 Te\n0.478919 0.825847 0.390305 Te\n0.269657 0.922821 0.615205 Te\n0.046678 0.648655 0.609473 Te\n0.335891 0.033221 0.261636 Mo\n0.166783 0.456909 0.752763 Mo\n0.085914 0.787256 0.253508 Mo\n0.913686 0.203430 0.765925 Mo\n0.832931 0.547306 0.239384 Mo\n0.665950 0.957698 0.752848 Mo\n0.576678 0.300802 0.244919 Mo\n0.419738 0.710692 0.739266 Mo\n0.513627 0.155821 0.661275 S\n0.522322 0.899320 0.156571 S\n0.968131 0.359382 0.344832 S\n0.236236 0.590881 0.345602 S\n0.969708 0.608330 0.844044 S\n0.235254 0.840532 0.848559 S\n0.782138 0.389805 0.656285 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.253780925266089,
"density_atomic": 0.04222940263514981,
"volume": 568.3244020132908,
"volume_molar": 14.260539776111933,
"formula_full": "Te9 Mo8 S7",
"formula_reduced": "Te9Mo8S7",
"formula_anonymous": "A7B8C9",
"energy_above_hull": 3.665396545833333,
"spacegroup": 8
},
{
"id": "jvasp-47704",
"created_at": "2022-09-04T14:37:28.609416Z",
"updated_at": "2022-09-04T14:37:28.609441Z",
"structure_string": "Rb2 Al2 H16 N8\n1.0\n7.302539 0.000000 -0.000000\n-0.000000 7.302539 -0.000000\n-0.000000 -0.000000 5.016771\nRb Al H N\n2 2 16 8\ndirect\n0.500000 -0.000000 0.688911 Rb\n0.000000 0.500000 0.311089 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.791235 0.336163 0.810999 H\n0.631755 0.634970 0.424002 H\n0.836163 0.708765 0.810999 H\n0.365030 0.631755 0.575998 H\n0.634970 0.368245 0.575998 H\n0.163837 0.291235 0.810999 H\n0.208765 0.663837 0.810999 H\n0.368245 0.365030 0.424002 H\n0.131755 0.134970 0.575998 H\n0.336163 0.208765 0.189001 H\n0.865030 0.131755 0.424002 H\n0.134970 0.868245 0.424002 H\n0.663837 0.791235 0.189001 H\n0.868245 0.865030 0.575998 H\n0.708765 0.163837 0.189001 H\n0.291235 0.836163 0.189001 H\n0.675726 0.408858 0.762457 N\n0.091142 0.175726 0.762457 N\n0.824274 0.091142 0.237543 N\n0.175726 -0.091142 0.237543 N\n-0.091142 0.824274 0.762457 N\n0.591143 0.675726 0.237543 N\n0.324274 0.591143 0.762457 N\n0.408858 0.324274 0.237543 N\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Al",
"H",
"N"
],
"chemical_system": "Al-H-N-Rb",
"density": 2.1915396282549677,
"density_atomic": 0.1046612660541448,
"volume": 267.52972762162705,
"volume_molar": 5.753934561506779,
"formula_full": "Rb2 Al2 H16 N8",
"formula_reduced": "RbAl(H2N)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 3.6653654142857146,
"spacegroup": 85
},
{
"id": "jvasp-57855",
"created_at": "2022-09-04T14:38:20.678686Z",
"updated_at": "2022-09-04T14:38:20.678713Z",
"structure_string": "Ni2 Mo2 P16\n1.0\n3.146685 -5.450219 0.000000\n3.146685 5.450219 0.000000\n-0.000000 -0.000000 8.838607\nNi Mo P\n2 2 16\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333334 0.666668 0.250000 Mo\n0.666668 0.333334 0.750000 Mo\n0.045239 0.320727 0.653088 P\n0.275490 0.954763 0.653088 P\n0.679274 0.724512 0.653088 P\n0.275489 0.320727 0.846913 P\n0.679274 0.954763 0.846913 P\n0.045239 0.724512 0.846913 P\n0.666668 0.333334 0.463430 P\n0.333334 0.666668 0.536571 P\n0.954763 0.275490 0.153087 P\n0.333334 0.666668 0.963430 P\n0.724512 0.679274 0.153087 P\n0.320727 0.275489 0.346913 P\n0.724512 0.045239 0.346913 P\n0.954763 0.679274 0.346913 P\n0.666668 0.333334 0.036570 P\n0.320727 0.045239 0.153087 P\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ni",
"Mo",
"P"
],
"chemical_system": "Mo-Ni-P",
"density": 4.408403920527841,
"density_atomic": 0.06597037501391058,
"volume": 303.1663833316512,
"volume_molar": 9.128553170616607,
"formula_full": "Ni2 Mo2 P16",
"formula_reduced": "NiMoP8",
"formula_anonymous": "ABC8",
"energy_above_hull": 3.66536523,
"spacegroup": 163
},
{
"id": "jvasp-97336",
"created_at": "2022-09-04T14:35:43.240860Z",
"updated_at": "2022-09-04T14:35:43.240878Z",
"structure_string": "Sr8 Ta4 N12\n1.0\n6.011381 0.000000 0.244868\n3.005690 5.643799 0.122434\n0.017957 0.000000 12.599829\nSr Ta N\n8 4 12\ndirect\n0.846562 0.767824 0.076776 Sr\n0.056321 0.403863 0.358643 Sr\n0.943679 0.596137 0.641357 Sr\n0.460184 0.596137 0.858643 Sr\n0.614387 0.232176 0.576776 Sr\n0.153438 0.232176 0.923224 Sr\n0.385613 0.767824 0.423224 Sr\n0.539816 0.403863 0.141357 Sr\n0.768150 0.997306 0.836441 Ta\n0.231850 0.002694 0.163558 Ta\n0.765455 0.002694 0.336442 Ta\n0.234545 0.997306 0.663558 Ta\n0.500456 0.999088 0.750000 N\n0.804181 0.812889 0.460303 N\n0.617070 0.187111 0.960304 N\n0.004986 0.326825 0.125538 N\n0.668189 0.326825 0.374462 N\n0.995014 0.673175 0.874462 N\n0.331811 0.673175 0.625538 N\n0.087008 0.825984 0.250000 N\n0.912992 0.174016 0.750000 N\n0.499544 0.000912 0.250000 N\n0.382930 0.812889 0.039696 N\n0.195819 0.187111 0.539697 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Ta",
"N"
],
"chemical_system": "N-Sr-Ta",
"density": 6.18776507688221,
"density_atomic": 0.05614692949499563,
"volume": 427.44991072288497,
"volume_molar": 10.725681375927694,
"formula_full": "Sr8 Ta4 N12",
"formula_reduced": "Sr2TaN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.6652885950000007,
"spacegroup": 15
},
{
"id": "jvasp-116838",
"created_at": "2022-09-04T14:38:46.070123Z",
"updated_at": "2022-09-04T14:38:46.070153Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.464102 0.043994 1.753722\n0.265945 6.458778 1.753722\n0.007665 0.007406 5.591682\nTi Mn V O\n1 1 4 12\ndirect\n0.086290 0.913710 0.499999 Ti\n0.915645 0.084354 -0.000000 Mn\n0.803102 0.604437 0.009932 V\n0.610818 0.801119 0.509490 V\n0.395563 0.196898 -0.009933 V\n0.198881 0.389183 0.490509 V\n0.182403 0.028003 0.108469 O\n0.383575 0.332777 0.675712 O\n0.365101 0.922332 0.497290 O\n0.333970 0.387101 0.176479 O\n0.667223 0.616425 0.324287 O\n0.817599 0.971089 0.373461 O\n0.612899 0.666030 0.823520 O\n0.077669 0.634900 0.502709 O\n0.905761 0.357405 0.025148 O\n0.971997 0.817597 0.891530 O\n0.642594 0.094240 0.974852 O\n0.028910 0.182402 0.626538 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Ti-V",
"density": 3.5497759819491352,
"density_atomic": 0.07717978656650158,
"volume": 233.221686671683,
"volume_molar": 7.8027434745638375,
"formula_full": "Ti1 Mn1 V4 O12",
"formula_reduced": "TiMnV4O12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.665244687484035,
"spacegroup": 5
},
{
"id": "jvasp-14002",
"created_at": "2022-09-04T14:38:01.245071Z",
"updated_at": "2022-09-04T14:38:01.245089Z",
"structure_string": "Li1 Y1 Mo3 O8\n1.0\n2.908808 -5.038204 0.000000\n2.908808 5.038204 -0.000000\n0.000000 0.000000 5.181177\nLi Y Mo O\n1 1 3 8\ndirect\n0.666667 0.333333 0.304077 Li\n0.333333 0.666667 0.270957 Y\n0.853253 0.146747 0.746045 Mo\n0.293495 0.146747 0.746045 Mo\n0.853254 0.706506 0.746045 Mo\n0.666667 0.333333 0.944565 O\n0.672448 0.836224 0.977112 O\n0.163777 0.836224 0.977112 O\n0.163776 0.327552 0.977112 O\n0.000000 0.000000 0.469338 O\n0.977688 0.488845 0.529865 O\n0.511156 0.488845 0.529865 O\n0.511156 0.022313 0.529865 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Y",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O-Y",
"density": 5.594780789818879,
"density_atomic": 0.08560401281287072,
"volume": 151.8620397903289,
"volume_molar": 7.034881382446781,
"formula_full": "Li1 Y1 Mo3 O8",
"formula_reduced": "LiYMo3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.664939319230769,
"spacegroup": 156
}
]
}