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=4432",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4430",
"results": [
{
"id": "jvasp-75541",
"created_at": "2022-09-04T14:36:18.740953Z",
"updated_at": "2022-09-04T14:36:18.740972Z",
"structure_string": "Ta1 As1 Ru2\n1.0\n0.000000 3.139038 3.139038\n3.139038 0.000000 3.139038\n3.139038 3.139038 0.000000\nTa As Ru\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ta\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"As",
"Ru"
],
"chemical_system": "As-Ru-Ta",
"density": 12.294301224576481,
"density_atomic": 0.06466068129928307,
"volume": 61.86139582238442,
"volume_molar": 9.313450831311872,
"formula_full": "Ta1 As1 Ru2",
"formula_reduced": "TaAsRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5512029875,
"spacegroup": 216
},
{
"id": "jvasp-87990",
"created_at": "2022-09-04T14:36:12.047315Z",
"updated_at": "2022-09-04T14:36:12.047335Z",
"structure_string": "Ca4 Si10 N16\n1.0\n5.636627 0.000000 0.000000\n-2.818313 6.693892 -2.710677\n0.000000 0.001639 9.748914\nCa Si N\n4 10 16\ndirect\n0.236822 0.002496 0.002714 Ca\n0.862892 0.218618 0.197717 Ca\n0.355727 0.218618 0.697717 Ca\n0.765674 0.002496 0.502713 Ca\n0.253939 0.115401 0.353478 Si\n0.861463 0.115401 0.853477 Si\n0.546958 0.511056 0.317522 Si\n0.964098 0.511056 0.817522 Si\n0.257539 0.508265 0.062904 Si\n0.250727 0.508265 0.562904 Si\n0.155336 0.724745 0.368203 Si\n0.569410 0.724745 0.868203 Si\n0.853559 0.711524 0.126058 Si\n0.857967 0.711524 0.626058 Si\n0.623993 0.973464 0.930199 N\n0.277681 0.589111 0.914972 N\n0.139927 0.257083 0.497343 N\n0.553780 0.590607 0.169284 N\n0.036827 0.590607 0.669284 N\n0.056133 0.607104 0.175718 N\n0.550972 0.607104 0.675718 N\n0.984995 0.962741 0.217879 N\n0.977749 0.962741 0.717879 N\n0.820603 0.668765 0.934973 N\n0.848164 0.668765 0.434974 N\n0.477060 0.261819 0.272931 N\n0.784760 0.261819 0.772931 N\n0.311432 0.589111 0.414972 N\n0.117156 0.257083 0.997343 N\n0.349473 0.973464 0.430199 N\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ca",
"Si",
"N"
],
"chemical_system": "Ca-N-Si",
"density": 3.003073598640017,
"density_atomic": 0.08155253245909594,
"volume": 367.8610472954597,
"volume_molar": 7.384370023114252,
"formula_full": "Ca4 Si10 N16",
"formula_reduced": "Ca2Si5N8",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.551346656,
"spacegroup": 9
},
{
"id": "jvasp-36567",
"created_at": "2022-09-04T14:37:28.287608Z",
"updated_at": "2022-09-04T14:37:28.287621Z",
"structure_string": "Cr4 N8\n1.0\n0.000000 4.652210 -0.014796\n4.570515 0.000000 0.000000\n0.000000 -3.622577 -7.339661\nCr N\n4 8\ndirect\n0.010568 0.488966 0.489594 Cr\n0.010568 0.511033 0.989594 Cr\n0.307311 0.122638 0.869196 Cr\n0.307311 0.877361 0.369196 Cr\n0.302814 0.255478 0.077063 N\n0.302814 0.744521 0.577063 N\n0.656855 0.266940 0.893986 N\n0.656855 0.733059 0.393986 N\n0.146905 0.226180 0.388982 N\n0.146904 0.773819 0.888982 N\n0.022914 0.294903 0.676369 N\n0.022915 0.705096 0.176369 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 3.3999223740046087,
"density_atomic": 0.07677142507978968,
"volume": 156.30815746260046,
"volume_molar": 7.844247718133536,
"formula_full": "Cr4 N8",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.552011299999998,
"spacegroup": 7
},
{
"id": "jvasp-20390",
"created_at": "2022-09-04T14:37:42.202265Z",
"updated_at": "2022-09-04T14:37:42.202286Z",
"structure_string": "V6 B4\n1.0\n5.730548 -0.000000 -0.000000\n0.000000 5.730548 0.000000\n-0.000000 0.000000 3.020410\nV B\n6 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.320492 0.820493 0.500000 V\n0.820493 0.679508 0.500000 V\n0.179508 0.320492 0.500000 V\n0.679508 0.179508 0.500000 V\n0.109497 0.609497 0.000000 B\n0.609497 0.890503 0.000000 B\n0.390503 0.109497 0.000000 B\n0.890503 0.390503 0.000000 B\n",
"nsites": 10,
"nelements": 2,
"elements": [
"V",
"B"
],
"chemical_system": "B-V",
"density": 5.8409453774456335,
"density_atomic": 0.10081886207692518,
"volume": 99.18778881247401,
"volume_molar": 5.973228259018718,
"formula_full": "V6 B4",
"formula_reduced": "V3B2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.552065553333334,
"spacegroup": 127
},
{
"id": "jvasp-41395",
"created_at": "2022-09-04T14:38:19.518543Z",
"updated_at": "2022-09-04T14:38:19.518566Z",
"structure_string": "Tm1 Hf1 Os2\n1.0\n0.000000 3.300690 3.300690\n3.300690 -0.000000 3.300690\n3.300690 3.300690 0.000000\nTm Hf Os\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tm\n0.249999 0.249999 0.249999 Hf\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Hf",
"Os"
],
"chemical_system": "Hf-Os-Tm",
"density": 16.80610946246304,
"density_atomic": 0.05561805323178858,
"volume": 71.91909402743701,
"volume_molar": 10.827672689122526,
"formula_full": "Tm1 Hf1 Os2",
"formula_reduced": "TmHfOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5524468125,
"spacegroup": 225
},
{
"id": "jvasp-65315",
"created_at": "2022-09-04T14:36:16.244744Z",
"updated_at": "2022-09-04T14:36:16.244771Z",
"structure_string": "Be1 V1 Ru4\n1.0\n-0.000000 3.526178 3.526178\n3.526178 0.000000 3.526178\n3.526178 3.526178 0.000000\nBe V Ru\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 V\n0.123874 0.625376 0.625376 Ru\n0.625376 0.625376 0.625376 Ru\n0.625376 0.123874 0.625376 Ru\n0.625376 0.625376 0.123874 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"V",
"Ru"
],
"chemical_system": "Be-Ru-V",
"density": 8.791096640749569,
"density_atomic": 0.0684240159338362,
"volume": 87.68850992028597,
"volume_molar": 8.801209162910308,
"formula_full": "Be1 V1 Ru4",
"formula_reduced": "BeVRu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.552473716666666,
"spacegroup": 216
},
{
"id": "jvasp-103870",
"created_at": "2022-09-04T14:37:14.999565Z",
"updated_at": "2022-09-04T14:37:14.999591Z",
"structure_string": "Sn1 H18 C10 O4\n1.0\n4.858637 0.078362 -0.647931\n-2.426168 7.108811 -1.326587\n-0.029732 0.122809 8.454368\nSn H C O\n1 18 10 4\ndirect\n0.838615 0.700547 0.319283 Sn\n0.595853 0.372067 0.906932 H\n0.248509 0.024425 0.462648 H\n0.768881 0.335525 0.240099 H\n0.428756 0.376690 0.175831 H\n0.544146 0.370789 0.385294 H\n0.574585 0.233181 0.714885 H\n0.132866 0.030313 0.253209 H\n0.138663 0.442612 0.789386 H\n0.908311 0.065561 0.398513 H\n0.684346 0.540008 0.637996 H\n0.592660 0.678148 0.794868 H\n0.992810 0.861058 0.000564 H\n0.084483 0.722894 0.843707 H\n0.538461 0.958439 0.849142 H\n0.531708 0.084040 0.040957 H\n0.102493 0.167849 0.923598 H\n0.081260 0.028947 0.731566 H\n0.145416 0.317047 0.597555 H\n0.235018 0.117271 0.841950 C\n0.392377 -0.000604 0.925464 C\n0.177866 0.827005 0.958438 C\n0.499286 0.574062 0.680120 C\n0.284740 0.401660 0.713059 C\n0.301542 0.729875 0.079374 C\n0.375658 0.671225 0.559200 C\n0.062117 -0.007020 0.363982 C\n0.615053 0.408122 0.274557 C\n0.442077 0.283757 0.796546 C\n0.104734 0.650270 0.539717 O\n0.134591 0.627405 0.155302 O\n0.572463 0.750831 0.098841 O\n0.542652 0.773711 0.483304 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8099372707542996,
"density_atomic": 0.1120677906209014,
"volume": 294.4646255375117,
"volume_molar": 5.373658860083595,
"formula_full": "Sn1 H18 C10 O4",
"formula_reduced": "SnH18(C5O2)2",
"formula_anonymous": "AB4C10D18",
"energy_above_hull": 4.552645627272727,
"spacegroup": 2
},
{
"id": "jvasp-75546",
"created_at": "2022-09-04T14:35:46.046235Z",
"updated_at": "2022-09-04T14:35:46.046257Z",
"structure_string": "Tc2 As1 Ir1\n1.0\n0.000000 3.112756 3.112756\n3.112756 0.000000 3.112756\n3.112756 3.112756 0.000000\nTc As Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Tc\n0.500001 0.500001 0.500001 As\n0.750001 0.750001 0.750001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tc",
"As",
"Ir"
],
"chemical_system": "As-Ir-Tc",
"density": 12.749549620975108,
"density_atomic": 0.06631240192085058,
"volume": 60.32054162016836,
"volume_molar": 9.081469808902307,
"formula_full": "Tc2 As1 Ir1",
"formula_reduced": "Tc2AsIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5526539625,
"spacegroup": 216
},
{
"id": "jvasp-101879",
"created_at": "2022-09-04T14:36:53.308870Z",
"updated_at": "2022-09-04T14:36:53.308900Z",
"structure_string": "Sn1 H18 C10 O4\n1.0\n4.547978 0.042242 0.090996\n1.422530 6.638557 2.311628\n-0.212367 -0.254103 9.434039\nSn H C O\n1 18 10 4\ndirect\n0.275397 0.305223 0.334398 Sn\n0.504514 0.640392 0.884861 H\n0.235874 0.958072 0.296732 H\n-0.012047 0.685090 0.318260 H\n0.865340 0.611584 0.164036 H\n0.220123 0.682690 0.163707 H\n0.383337 0.831869 0.716658 H\n0.507464 0.915569 0.448897 H\n0.973583 0.508550 0.780593 H\n0.107522 0.963939 0.476040 H\n0.419083 0.598232 0.560932 H\n0.502765 0.395961 0.720334 H\n0.920685 0.019816 0.063566 H\n0.823921 0.225190 0.905345 H\n0.360916 0.104113 0.849065 H\n0.454501 0.902011 0.012919 H\n0.955700 0.784137 0.908606 H\n0.831595 0.976337 0.740852 H\n0.890218 0.709578 0.615652 H\n0.751811 0.876223 0.838430 C\n0.553263 0.001780 0.922848 C\n0.726585 0.119502 0.990791 C\n0.609759 0.496916 0.635986 C\n0.785674 0.612287 0.704613 C\n0.531836 0.234240 0.081020 C\n0.797485 0.375842 0.548424 C\n0.281194 0.994226 0.398252 C\n0.058409 0.611721 0.233381 C\n0.586333 0.739681 0.787622 C\n0.082845 0.345257 0.560143 O\n0.660674 0.250866 0.199271 O\n0.253138 0.301046 0.050523 O\n0.674428 0.307846 0.456596 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8569357421261194,
"density_atomic": 0.11497784443011684,
"volume": 287.0118166118281,
"volume_molar": 5.237653210362834,
"formula_full": "Sn1 H18 C10 O4",
"formula_reduced": "SnH18(C5O2)2",
"formula_anonymous": "AB4C10D18",
"energy_above_hull": 4.552888657575758,
"spacegroup": 1
},
{
"id": "jvasp-101869",
"created_at": "2022-09-04T14:36:48.127595Z",
"updated_at": "2022-09-04T14:36:48.127619Z",
"structure_string": "Sn1 H18 C10 O4\n1.0\n5.153430 -0.027427 -0.137901\n-0.065008 6.363885 -1.189401\n-0.155731 0.197830 9.384912\nSn H C O\n1 18 10 4\ndirect\n0.723986 0.328315 0.679467 Sn\n0.144310 0.934302 0.251713 H\n0.032457 0.204392 0.463505 H\n0.804870 0.483338 0.959771 H\n0.923850 0.671707 0.853646 H\n0.108033 0.440079 0.873117 H\n0.099340 0.709010 0.118647 H\n0.816430 0.989632 0.481197 H\n0.274178 0.491784 0.306424 H\n0.702933 0.202380 0.392563 H\n0.113229 0.792659 0.557142 H\n0.376771 0.903021 0.476976 H\n0.453525 0.741473 0.887973 H\n0.227958 0.943908 0.934503 H\n0.513086 0.107074 0.140866 H\n0.779303 0.956230 0.075286 H\n0.622895 0.819420 0.281474 H\n0.560154 0.630340 0.126604 H\n0.968129 0.603177 0.340926 H\n0.502450 0.786588 0.180590 C\n0.568202 0.950249 0.086386 C\n0.435232 0.908097 0.933977 C\n0.276292 0.756355 0.486881 C\n0.174545 0.642137 0.335044 C\n0.565883 0.034806 0.835215 C\n0.461619 0.622464 0.556794 C\n0.831950 0.157052 0.477646 C\n0.914644 0.506892 0.866230 C\n0.216328 0.774917 0.216441 C\n0.364954 0.476717 0.620996 O\n0.423709 0.161469 0.771376 O\n0.806398 0.026712 0.816463 O\n0.704869 0.639801 0.551414 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.7256805454880808,
"density_atomic": 0.10685077829781564,
"volume": 308.8419244642472,
"volume_molar": 5.636028914281772,
"formula_full": "Sn1 H18 C10 O4",
"formula_reduced": "SnH18(C5O2)2",
"formula_anonymous": "AB4C10D18",
"energy_above_hull": 4.552987445454545,
"spacegroup": 1
},
{
"id": "jvasp-79952",
"created_at": "2022-09-04T14:36:43.959629Z",
"updated_at": "2022-09-04T14:36:43.959649Z",
"structure_string": "Y1 Ta1 Ru2\n1.0\n0.000000 3.268480 3.268480\n3.268480 0.000000 3.268480\n3.268480 3.268480 0.000000\nY Ta Ru\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Y\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta-Y",
"density": 11.223229293412114,
"density_atomic": 0.05727861394263862,
"volume": 69.83409207502437,
"volume_molar": 10.513768308064932,
"formula_full": "Y1 Ta1 Ru2",
"formula_reduced": "YTaRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5531814125,
"spacegroup": 225
},
{
"id": "jvasp-36688",
"created_at": "2022-09-04T14:37:45.273995Z",
"updated_at": "2022-09-04T14:37:45.274014Z",
"structure_string": "Ti4 P4 N12\n1.0\n-2.662768 4.153779 -0.732406\n0.004911 -0.004341 -6.401242\n-4.852982 -4.144623 0.496599\nTi P N\n4 4 12\ndirect\n0.250000 0.717809 0.717809 Ti\n0.750001 0.896924 0.896924 Ti\n0.750000 0.282191 0.282191 Ti\n0.250000 0.103076 0.103076 Ti\n0.205263 0.613124 0.213556 P\n0.705263 0.786444 0.386876 P\n0.794738 0.386876 0.786443 P\n0.294738 0.213556 0.613123 P\n0.368720 0.385857 0.145981 N\n0.361824 0.026218 0.784912 N\n0.093250 0.420092 0.710157 N\n0.631281 0.614143 0.854019 N\n0.131281 0.145981 0.385856 N\n0.138176 0.784912 0.026219 N\n0.406751 0.710157 0.420092 N\n0.861825 0.215088 0.973781 N\n0.638177 0.973782 0.215087 N\n0.906751 0.579908 0.289843 N\n0.868720 0.854019 0.614143 N\n0.593250 0.289843 0.579908 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"P",
"N"
],
"chemical_system": "N-P-Ti",
"density": 4.019737413745298,
"density_atomic": 0.1001458376665314,
"volume": 199.70874941998684,
"volume_molar": 6.013371000053645,
"formula_full": "Ti4 P4 N12",
"formula_reduced": "TiPN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.554342716666666,
"spacegroup": 15
}
]
}