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=357",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=355",
"results": [
{
"id": "jvasp-63295",
"created_at": "2022-09-04T14:36:10.802497Z",
"updated_at": "2022-09-04T14:36:10.802514Z",
"structure_string": "Th1 As12 Os4\n1.0\n-4.328338 4.328338 4.328338\n4.328338 -4.328338 4.328338\n4.328338 4.328338 -4.328338\nTh As Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Th\n0.505232 0.851003 0.654230 As\n0.803227 0.148997 0.654230 As\n0.196773 0.851003 0.345771 As\n0.654230 0.803227 0.148997 As\n0.654230 0.505232 0.851003 As\n0.148997 0.654230 0.803227 As\n0.345771 0.196773 0.851003 As\n0.851003 0.345771 0.196773 As\n0.148997 0.345771 0.494769 As\n0.851003 0.654230 0.505232 As\n0.345771 0.494769 0.148997 As\n0.494769 0.148997 0.345771 As\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.500000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Th",
"As",
"Os"
],
"chemical_system": "As-Os-Th",
"density": 9.68613901271913,
"density_atomic": 0.05241135980897771,
"volume": 324.3571634462347,
"volume_molar": 11.4901440869856,
"formula_full": "Th1 As12 Os4",
"formula_reduced": "Th(As3Os)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 4.038442152941176,
"spacegroup": 204
},
{
"id": "jvasp-108006",
"created_at": "2022-09-04T14:35:49.645325Z",
"updated_at": "2022-09-04T14:35:49.645355Z",
"structure_string": "Er2 Si2 Ru4 C2\n1.0\n5.893094 -0.009790 0.000000\n-4.685951 3.573585 0.000000\n-0.000000 -0.000000 7.118552\nEr Si Ru C\n2 2 4 2\ndirect\n0.546444 0.453557 0.250000 Er\n0.453556 0.546445 0.750000 Er\n0.268337 0.731664 0.250000 Si\n0.731663 0.268337 0.750000 Si\n0.836596 0.163404 0.055583 Ru\n0.163404 0.836598 0.944417 Ru\n0.163404 0.836598 0.555583 Ru\n0.836596 0.163404 0.444417 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Si",
"Ru",
"C"
],
"chemical_system": "C-Er-Ru-Si",
"density": 9.091506435859522,
"density_atomic": 0.06685100520850124,
"volume": 149.58638196704828,
"volume_molar": 9.008302479846904,
"formula_full": "Er2 Si2 Ru4 C2",
"formula_reduced": "ErSiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.0383159200000005,
"spacegroup": 63
},
{
"id": "jvasp-112692",
"created_at": "2022-09-04T14:38:42.979320Z",
"updated_at": "2022-09-04T14:38:42.979349Z",
"structure_string": "Ce1 Y1 Co17\n1.0\n6.194128 0.000477 0.762143\n0.674171 6.157331 0.762143\n0.000531 0.000477 6.240840\nCe Y Co\n1 1 17\ndirect\n0.653142 0.653143 0.653142 Ce\n0.342171 0.342172 0.342171 Y\n0.004598 0.498560 0.004598 Co\n0.498560 0.004598 0.004598 Co\n0.004598 0.004598 0.498560 Co\n0.654174 0.143633 0.654174 Co\n0.143632 0.654175 0.654174 Co\n0.654174 0.654175 0.143632 Co\n0.347154 0.846329 0.347153 Co\n0.846329 0.347154 0.347153 Co\n0.347154 0.347154 0.846328 Co\n0.289605 0.713130 -0.000338 Co\n0.713130 -0.000337 0.289604 Co\n-0.000338 0.289605 0.713130 Co\n0.289604 -0.000337 0.713130 Co\n-0.000337 0.713130 0.289604 Co\n0.713130 0.289605 -0.000338 Co\n0.902601 0.902602 0.902600 Co\n0.096915 0.096915 0.096915 Co\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Co"
],
"chemical_system": "Ce-Co-Y",
"density": 8.587428474555372,
"density_atomic": 0.07982698855855971,
"volume": 238.01474091762742,
"volume_molar": 7.5439909092678095,
"formula_full": "Ce1 Y1 Co17",
"formula_reduced": "CeYCo17",
"formula_anonymous": "ABC17",
"energy_above_hull": 4.03830822368421,
"spacegroup": 160
},
{
"id": "jvasp-101894",
"created_at": "2022-09-04T14:36:58.738495Z",
"updated_at": "2022-09-04T14:36:58.738519Z",
"structure_string": "Ca2 H8 C8 O8\n1.0\n5.103947 -0.064441 -0.752002\n-1.916407 5.985854 -2.207102\n0.030915 -0.153800 8.337135\nCa H C O\n2 8 8 8\ndirect\n0.528868 0.212559 0.716651 Ca\n0.028867 0.712558 0.716651 Ca\n0.741457 0.187990 0.225947 H\n0.241457 0.687989 0.225947 H\n0.545906 0.011683 0.308278 H\n0.045904 0.511683 0.308277 H\n0.816333 0.737160 0.207352 H\n0.316333 0.237160 0.207352 H\n0.011876 0.913469 0.125018 H\n0.511877 0.413469 0.125018 H\n0.307419 0.363238 0.150727 C\n0.807419 0.863238 0.150727 C\n0.250364 0.561910 0.282572 C\n0.750365 0.061910 0.282572 C\n0.591159 0.739416 0.975881 C\n0.466613 0.685730 0.457421 C\n0.966614 0.185732 0.457422 C\n0.091159 0.239416 0.975880 C\n0.895255 0.313219 0.588757 O\n0.205618 0.169125 0.469046 O\n0.705618 0.669125 0.469046 O\n0.352176 0.756065 0.964260 O\n0.852178 0.256065 0.964260 O\n0.662480 0.611886 0.844543 O\n0.162480 0.111886 0.844544 O\n0.395254 0.813220 0.588757 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.058933583968353,
"density_atomic": 0.10322720272053308,
"volume": 251.87159309537603,
"volume_molar": 5.833869950253072,
"formula_full": "Ca2 H8 C8 O8",
"formula_reduced": "CaH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 4.038042647692308,
"spacegroup": 2
},
{
"id": "jvasp-104011",
"created_at": "2022-09-04T14:36:51.634367Z",
"updated_at": "2022-09-04T14:36:51.634387Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.421855 -0.064144 0.274256\n1.428171 4.195667 0.329308\n-0.011557 -0.140125 19.251801\nSn H C F\n2 24 12 4\ndirect\n0.314439 0.714661 0.536515 Sn\n0.212519 0.443385 0.059705 Sn\n0.830859 -0.012115 0.902186 H\n0.490517 0.962416 0.955348 H\n0.384142 0.598007 0.876695 H\n0.750371 0.557058 0.829965 H\n0.077571 0.740294 0.367266 H\n0.695086 0.394127 0.442199 H\n0.573967 0.798295 0.411847 H\n0.286716 0.256684 0.292383 H\n0.650113 0.159636 0.334181 H\n0.355534 0.770504 0.245674 H\n0.717484 0.682558 0.287713 H\n0.150606 0.364179 0.410857 H\n0.543756 0.128699 0.784995 H\n0.177244 0.163069 0.830430 H\n0.721678 0.506765 0.725382 H\n0.669398 0.844334 0.669180 H\n0.649986 0.300395 0.621558 H\n0.590048 0.274589 0.177458 H\n0.254732 0.409964 0.657184 H\n0.947144 0.201011 0.219125 H\n0.961953 0.757604 0.171708 H\n0.641376 0.782212 0.120328 H\n0.132547 0.704744 0.761196 H\n0.104446 0.057887 0.711106 H\n0.444533 0.360831 0.317643 C\n0.548358 0.728165 0.856402 C\n0.487518 0.602141 0.431751 C\n0.267790 0.523665 0.382968 C\n0.674708 0.843291 0.917066 C\n0.560719 0.572901 0.263746 C\n0.740529 0.395561 0.200473 C\n0.545131 0.682480 0.693294 C\n0.269682 0.863671 0.741475 C\n0.846369 0.610903 0.145912 C\n0.448720 0.502063 0.638318 C\n0.381163 -0.005745 0.803825 C\n0.083602 0.990617 0.040777 F\n0.196029 0.200627 0.539089 F\n0.822958 0.824944 0.536970 F\n0.874119 0.558916 0.953705 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.2276258669314903,
"density_atomic": 0.11695975035143108,
"volume": 359.09789370960385,
"volume_molar": 5.1489001489017925,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.037994393571429,
"spacegroup": 1
},
{
"id": "jvasp-119929",
"created_at": "2022-09-04T14:38:49.011367Z",
"updated_at": "2022-09-04T14:38:49.011387Z",
"structure_string": "Pd1\n1.0\n11.325608 0.000000 0.000000\n-0.000000 11.325608 0.000000\n0.000000 0.000000 11.325608\nPd\n1\ndirect\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 0.12164318269413048,
"density_atomic": 0.0006883596776278935,
"volume": 1452.7289039445595,
"volume_molar": 874.8537945674656,
"formula_full": "Pd1",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"energy_above_hull": 4.0379,
"spacegroup": 221
},
{
"id": "jvasp-29057",
"created_at": "2022-09-04T14:37:15.942074Z",
"updated_at": "2022-09-04T14:37:15.942103Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.410911 -0.000003 -0.000002\n-1.705459 2.953919 0.000035\n-0.000015 0.000479 39.540427\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333321 0.666640 0.330207 Te\n0.666669 0.333337 0.045748 Te\n0.666658 0.333313 0.140217 Te\n0.333337 0.666675 0.234985 Te\n0.333327 0.666654 0.092869 Mo\n0.333327 0.666647 0.469979 W\n0.666661 0.333325 0.282550 W\n0.666676 0.333368 0.657456 W\n0.666662 0.333334 0.428189 Se\n0.666659 0.333314 0.511744 Se\n0.333346 0.666692 0.695388 S\n0.333353 0.666706 0.619415 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.751614304063917,
"density_atomic": 0.030121121767308454,
"volume": 398.39153709819783,
"volume_molar": 19.99308261665091,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.037835308333333,
"spacegroup": 156
},
{
"id": "jvasp-29031",
"created_at": "2022-09-04T14:36:48.091042Z",
"updated_at": "2022-09-04T14:36:48.091065Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.411136 -0.000002 0.000002\n-1.705569 2.954085 -0.000038\n0.000025 -0.000480 38.436742\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333368 0.666734 0.706294 Te\n0.666638 0.333273 0.045411 Te\n0.666648 0.333294 0.142664 Te\n0.333356 0.666709 0.608474 Te\n0.333312 0.666622 0.093875 Mo\n0.333327 0.666652 0.469648 W\n0.666688 0.333372 0.281815 W\n0.666694 0.333386 0.657537 W\n0.333364 0.666728 0.324848 Se\n0.333356 0.666712 0.238857 Se\n0.666631 0.333257 0.430460 S\n0.666639 0.333275 0.508863 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.916044276049801,
"density_atomic": 0.030982239176534313,
"volume": 387.3186806035859,
"volume_molar": 19.43739677976897,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.037823641666667,
"spacegroup": 156
},
{
"id": "jvasp-28953",
"created_at": "2022-09-04T14:38:34.921162Z",
"updated_at": "2022-09-04T14:38:34.921196Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.403159 -0.000000 -0.000000\n-1.701579 2.947222 -0.000285\n-0.000000 -0.003739 40.309077\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333402 0.666805 0.326910 Te\n0.666569 0.333137 0.423939 Te\n0.666691 0.333381 0.517373 Te\n0.333267 0.666535 0.233946 Te\n0.666669 0.333337 0.280441 Mo\n0.333282 0.666564 0.093825 W\n0.333299 0.666595 0.470664 W\n0.666751 0.333503 0.658007 W\n0.333469 0.666940 0.698891 Se\n0.333366 0.666734 0.617016 Se\n0.666563 0.333125 0.056573 S\n0.666670 0.333338 0.131165 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.6676355896373725,
"density_atomic": 0.029681326442139187,
"volume": 404.29459995303154,
"volume_molar": 20.28932491187538,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.037766975,
"spacegroup": 156
},
{
"id": "jvasp-30660",
"created_at": "2022-09-04T14:37:42.272183Z",
"updated_at": "2022-09-04T14:37:42.272211Z",
"structure_string": "Ta4 Mo2 O16\n1.0\n5.064156 0.003567 -0.016369\n-0.008447 5.674927 -1.742749\n-0.006029 -0.018475 10.045464\nTa Mo O\n4 2 16\ndirect\n0.755996 0.324642 0.277013 Ta\n0.743402 0.048041 0.722515 Ta\n0.243506 0.672465 0.722479 Ta\n0.256101 0.949065 0.276976 Ta\n0.749785 0.668240 0.999538 Mo\n0.249723 0.328864 0.999952 Mo\n0.880566 0.587523 0.385108 O\n0.618884 0.202754 0.614314 O\n0.118932 0.409587 0.614384 O\n0.380615 0.794356 0.385178 O\n0.079602 0.921026 0.661734 O\n0.419786 0.258417 0.337730 O\n0.069949 0.667037 0.107883 O\n0.569534 0.437947 0.108038 O\n0.929553 0.330070 0.891609 O\n0.919901 0.076079 0.337757 O\n0.580606 0.905054 0.118527 O\n0.919118 0.786941 0.881039 O\n0.418897 0.092043 0.880965 O\n0.080385 0.210169 0.118453 O\n0.429966 0.559155 0.891454 O\n0.579717 0.738690 0.661761 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"O"
],
"chemical_system": "Mo-O-Ta",
"density": 6.743102272464757,
"density_atomic": 0.0762484491493605,
"volume": 288.5304585920816,
"volume_molar": 7.898050159949395,
"formula_full": "Ta4 Mo2 O16",
"formula_reduced": "Ta2MoO8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 4.0376293,
"spacegroup": 15
},
{
"id": "jvasp-71041",
"created_at": "2022-09-04T14:36:12.711510Z",
"updated_at": "2022-09-04T14:36:12.711524Z",
"structure_string": "Be1 Cd1 W2\n1.0\n2.706306 0.000000 -0.000000\n-0.000000 2.706306 -0.000000\n0.000000 -0.000000 8.406467\nBe Cd W\n1 1 2\ndirect\n0.000000 0.000000 0.486050 Be\n0.500001 0.500001 0.723733 Cd\n0.000000 0.000000 0.009124 W\n0.500001 0.500001 0.281093 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"W"
],
"chemical_system": "Be-Cd-W",
"density": 13.191138264387174,
"density_atomic": 0.06496697986333201,
"volume": 61.569739095377564,
"volume_molar": 9.269540884720968,
"formula_full": "Be1 Cd1 W2",
"formula_reduced": "BeCdW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.0375889625,
"spacegroup": 99
},
{
"id": "jvasp-103897",
"created_at": "2022-09-04T14:37:00.387377Z",
"updated_at": "2022-09-04T14:37:00.387395Z",
"structure_string": "Ca2 H8 C8 O8\n1.0\n4.206046 -0.031450 -0.394669\n-1.008266 7.319048 -0.768481\n-0.131326 0.100467 7.844534\nCa H C O\n2 8 8 8\ndirect\n0.685931 0.283297 0.503141 Ca\n0.685932 0.283297 0.003141 Ca\n0.471038 0.683435 0.213173 H\n0.471037 0.683435 0.713173 H\n0.436435 0.796510 0.415060 H\n0.436435 0.796510 0.915060 H\n0.900803 0.883183 0.293129 H\n0.900801 0.883183 0.793129 H\n0.935371 0.770094 0.091241 H\n0.935371 0.770094 0.591241 H\n0.076218 0.843298 0.708952 C\n0.076218 0.843298 0.208953 C\n0.295603 0.723308 0.797343 C\n0.295603 0.723309 0.297343 C\n0.244669 0.022469 0.163916 C\n0.127169 0.544128 0.842367 C\n0.127170 0.544128 0.342367 C\n0.244669 0.022469 0.663916 C\n0.265073 0.463766 0.460148 O\n0.849613 0.475004 0.263497 O\n0.849615 0.475005 0.763497 O\n0.522221 0.091591 0.242787 O\n0.522221 0.091591 0.742788 O\n0.106790 0.102825 0.046124 O\n0.106788 0.102825 0.546123 O\n0.265072 0.463767 0.960146 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.149836377826961,
"density_atomic": 0.10778472764633446,
"volume": 241.22155863594844,
"volume_molar": 5.587193001739521,
"formula_full": "Ca2 H8 C8 O8",
"formula_reduced": "CaH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 4.037564186153847,
"spacegroup": 2
}
]
}