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{
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"results": [
{
"id": "jvasp-113251",
"created_at": "2022-09-04T14:38:49.043153Z",
"updated_at": "2022-09-04T14:38:49.043173Z",
"structure_string": "Li4 Cr3 Sn3 Te2 O16\n1.0\n6.191195 -0.044733 0.085822\n3.081330 5.370131 0.085822\n-0.105971 -0.060861 10.051463\nLi Cr Sn Te O\n4 3 3 2 16\ndirect\n0.673824 0.673823 0.102886 Li\n0.988624 0.988624 0.011382 Li\n0.992923 0.992923 0.502032 Li\n0.335262 0.335262 0.595639 Li\n0.831080 0.831080 0.786051 Cr\n0.170014 0.665880 0.287341 Cr\n0.665880 0.170014 0.287341 Cr\n0.831299 0.333357 0.785233 Sn\n0.169376 0.169376 0.285538 Sn\n0.333357 0.831299 0.785233 Sn\n0.676128 0.676128 0.502920 Te\n0.345193 0.345193 0.017900 Te\n0.150460 0.150461 0.901242 O\n0.139138 0.696211 0.899488 O\n0.339549 0.339549 0.389182 O\n0.493453 0.038338 0.164168 O\n0.038338 0.493453 0.164168 O\n0.842253 0.842253 0.397792 O\n0.964848 0.524741 0.662304 O\n0.508742 0.508742 0.668055 O\n0.842714 0.306186 0.398934 O\n0.994690 0.994690 0.192036 O\n0.992626 0.992626 0.682503 O\n0.669630 0.669630 0.894199 O\n0.483772 0.483771 0.167829 O\n0.306186 0.842714 0.398934 O\n0.524741 0.964848 0.662304 O\n0.696211 0.139139 0.899488 O\n",
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],
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"density_atomic": 0.08342339730438363,
"volume": 335.6372541127463,
"volume_molar": 7.218767102024454,
"formula_full": "Li4 Cr3 Sn3 Te2 O16",
"formula_reduced": "Li4Cr3Sn3(TeO8)2",
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{
"id": "jvasp-25590",
"created_at": "2022-09-04T14:38:28.974386Z",
"updated_at": "2022-09-04T14:38:28.974406Z",
"structure_string": "Rb2 Be4 P6 O20\n1.0\n6.980231 0.002572 2.814560\n1.497964 6.817604 2.814560\n0.016434 0.013220 8.933679\nRb Be P O\n2 4 6 20\ndirect\n0.302153 0.697845 0.750000 Rb\n0.697846 0.302154 0.250000 Rb\n0.299205 0.216636 0.059930 Be\n0.700794 0.783363 0.940071 Be\n0.783363 0.700795 0.440071 Be\n0.216636 0.299205 0.559930 Be\n0.492776 0.869963 0.256915 P\n0.887399 0.112600 0.750000 P\n0.112599 0.887399 0.250000 P\n0.507223 0.130036 0.743085 P\n0.130036 0.507223 0.243085 P\n0.869963 0.492776 0.756916 P\n0.461507 0.088990 0.165106 O\n0.573627 0.810610 0.404370 O\n0.823903 0.270415 0.850420 O\n0.085744 0.128436 0.623205 O\n0.426372 0.189389 0.595631 O\n0.911009 0.538492 0.334894 O\n0.538492 0.911009 0.834895 O\n0.128436 0.085744 0.123205 O\n0.729584 0.176096 0.649581 O\n0.088990 0.461507 0.665106 O\n0.810610 0.573627 0.904370 O\n0.176096 0.729584 0.149581 O\n0.914255 0.871563 0.376796 O\n0.270414 0.823903 0.350420 O\n0.189389 0.426372 0.095631 O\n0.739571 0.598206 0.640733 O\n0.598206 0.739572 0.140733 O\n0.401793 0.260428 0.859268 O\n0.260427 0.401794 0.359268 O\n0.871563 0.914255 0.876796 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Be-O-P-Rb",
"density": 2.7877888586559187,
"density_atomic": 0.07536747920072902,
"volume": 424.58631148818455,
"volume_molar": 7.990370414222038,
"formula_full": "Rb2 Be4 P6 O20",
"formula_reduced": "RbBe2P3O10",
"formula_anonymous": "AB2C3D10",
"energy_above_hull": 2.63052710625,
"spacegroup": 15
},
{
"id": "jvasp-105319",
"created_at": "2022-09-04T14:38:42.714392Z",
"updated_at": "2022-09-04T14:38:42.714416Z",
"structure_string": "Sm2 Fe2 Si4\n1.0\n4.017427 0.000000 0.000000\n-0.000000 4.192244 1.000520\n0.000000 0.029135 8.051490\nSm Fe Si\n2 2 4\ndirect\n0.250000 0.604781 0.794329 Sm\n0.750000 0.395217 0.205671 Sm\n0.250000 0.882491 0.390567 Fe\n0.750000 0.117507 0.609434 Fe\n0.250000 0.953164 0.098394 Si\n0.750000 0.046834 0.901606 Si\n0.250000 0.323818 0.495977 Si\n0.750000 0.676180 0.504024 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Fe",
"Si"
],
"chemical_system": "Fe-Si-Sm",
"density": 6.431431073809222,
"density_atomic": 0.05904653356724956,
"volume": 135.48636163185773,
"volume_molar": 10.198974260091383,
"formula_full": "Sm2 Fe2 Si4",
"formula_reduced": "SmFeSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.63047789375,
"spacegroup": 11
},
{
"id": "jvasp-75685",
"created_at": "2022-09-04T14:35:45.420783Z",
"updated_at": "2022-09-04T14:35:45.420809Z",
"structure_string": "Tc1 Te1 As1\n1.0\n0.000000 3.153490 3.153490\n3.153490 0.000000 3.153490\n3.153490 3.153490 0.000000\nTc Te As\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Tc\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
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"elements": [
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"As"
],
"chemical_system": "As-Tc-Te",
"density": 7.956469819629359,
"density_atomic": 0.047831817636128204,
"volume": 62.71975743890711,
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"formula_full": "Tc1 Te1 As1",
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"spacegroup": 216
},
{
"id": "jvasp-66699",
"created_at": "2022-09-04T14:35:43.004886Z",
"updated_at": "2022-09-04T14:35:43.004912Z",
"structure_string": "Li1 Be2 Mo1\n1.0\n2.613269 0.000000 0.000000\n0.000000 2.613269 0.000000\n-0.000000 0.000000 6.695580\nLi Be Mo\n1 2 1\ndirect\n0.000000 0.000000 0.459214 Li\n0.000000 0.000000 0.046167 Be\n0.500000 0.500000 0.210047 Be\n0.500000 0.500000 0.784572 Mo\n",
"nsites": 4,
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"elements": [
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"Be",
"Mo"
],
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"density": 4.390745143114106,
"density_atomic": 0.08747894858414115,
"volume": 45.725286651709375,
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"formula_full": "Li1 Be2 Mo1",
"formula_reduced": "LiBe2Mo",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-52578",
"created_at": "2022-09-04T14:36:06.713266Z",
"updated_at": "2022-09-04T14:36:06.713298Z",
"structure_string": "Ce1 Th2 O6\n1.0\n3.939858 0.000676 -0.000448\n-0.001029 5.565656 -0.000159\n-1.968911 -2.782624 5.900567\nCe Th O\n1 2 6\ndirect\n0.670658 0.667104 0.333522 Ce\n0.336285 0.332737 0.664773 Th\n0.005035 0.001480 0.002275 Th\n0.835179 0.584131 0.662551 O\n0.170680 0.912088 0.333544 O\n0.835190 0.079222 0.662588 O\n0.506131 0.750071 0.004474 O\n0.170647 0.422140 0.333501 O\n0.506138 0.255001 0.004474 O\n",
"nsites": 9,
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"elements": [
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"Th",
"O"
],
"chemical_system": "Ce-O-Th",
"density": 8.986606544659843,
"density_atomic": 0.06956233533626477,
"volume": 129.38036016896132,
"volume_molar": 8.657186005744249,
"formula_full": "Ce1 Th2 O6",
"formula_reduced": "CeTh2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.630364188888889,
"spacegroup": 71
},
{
"id": "jvasp-54857",
"created_at": "2022-09-04T14:37:55.055105Z",
"updated_at": "2022-09-04T14:37:55.055130Z",
"structure_string": "Al10 Mo2\n1.0\n4.788703 -0.004126 7.886826\n2.203749 4.251493 7.886826\n-0.006793 -0.004126 9.226791\nAl Mo\n10 2\ndirect\n0.330519 0.330517 0.330519 Al\n0.750000 0.402674 0.097326 Al\n0.250001 0.597323 0.902676 Al\n0.169482 0.169481 0.169482 Al\n0.597325 0.902674 0.250001 Al\n0.669482 0.669480 0.669483 Al\n0.402676 0.097323 0.750001 Al\n0.830519 0.830516 0.830520 Al\n0.902676 0.249998 0.597326 Al\n0.097325 0.749999 0.402676 Al\n0.500001 0.499999 0.500001 Mo\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 12,
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"elements": [
"Al",
"Mo"
],
"chemical_system": "Al-Mo",
"density": 4.072677275102077,
"density_atomic": 0.06374653914135592,
"volume": 188.24551358608477,
"volume_molar": 9.447008168782459,
"formula_full": "Al10 Mo2",
"formula_reduced": "Al5Mo",
"formula_anonymous": "AB5",
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"spacegroup": 167
},
{
"id": "jvasp-55806",
"created_at": "2022-09-04T14:38:33.979343Z",
"updated_at": "2022-09-04T14:38:33.979366Z",
"structure_string": "K2 Mn2 P2 H4 O10\n1.0\n4.861874 0.000000 0.000000\n0.000000 5.703418 0.000000\n0.000000 0.000000 8.317321\nK Mn P H O\n2 2 2 4 10\ndirect\n0.628104 0.500000 0.458423 K\n0.128105 0.000000 0.541577 K\n0.522970 0.500000 0.019992 Mn\n0.022970 0.000000 0.980008 Mn\n0.083397 0.500000 0.778574 P\n0.583397 0.000000 0.221426 P\n0.073178 0.361382 0.202152 H\n0.573177 0.138618 0.797848 H\n0.073178 0.638618 0.202152 H\n0.573177 0.861382 0.797848 H\n0.725027 0.781519 0.138394 O\n0.194448 0.500000 0.214205 O\n0.694448 0.000000 0.785795 O\n0.272435 0.000000 0.184868 O\n0.772435 0.500000 0.815132 O\n0.635233 0.000000 0.402433 O\n0.135233 0.500000 0.597567 O\n0.725027 0.218482 0.138394 O\n0.225027 0.281519 0.861606 O\n0.225027 0.718482 0.861606 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-K-Mn-O-P",
"density": 2.9810914510577717,
"density_atomic": 0.08671767615306686,
"volume": 230.63348658810526,
"volume_molar": 6.9445366010157095,
"formula_full": "K2 Mn2 P2 H4 O10",
"formula_reduced": "KMnPH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.630113824137931,
"spacegroup": 31
},
{
"id": "jvasp-48189",
"created_at": "2022-09-04T14:35:57.120589Z",
"updated_at": "2022-09-04T14:35:57.120610Z",
"structure_string": "Li2 Ti2 V2 O8\n1.0\n2.944516 -2.916476 4.162650\n-2.929076 2.931981 4.162650\n-2.929130 -2.941720 4.202485\nLi Ti V O\n2 2 2 8\ndirect\n0.500000 0.499999 0.500000 Li\n0.500000 0.499999 0.000000 Li\n-0.000000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n-0.000001 0.500000 0.500000 V\n0.500000 -0.000000 0.000000 V\n0.240634 0.759354 0.473055 O\n0.757491 0.775471 0.983528 O\n0.240645 0.759365 0.026946 O\n0.224527 0.242508 0.516473 O\n0.775472 0.757491 0.483528 O\n0.759354 0.240633 0.973055 O\n0.242508 0.224527 0.016473 O\n0.759366 0.240645 0.526946 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.925374072462174,
"density_atomic": 0.09748271779449305,
"volume": 143.61519987074962,
"volume_molar": 6.177649634979915,
"formula_full": "Li2 Ti2 V2 O8",
"formula_reduced": "LiTiVO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-90899",
"created_at": "2022-09-04T14:35:56.482693Z",
"updated_at": "2022-09-04T14:35:56.482709Z",
"structure_string": "K4 Si8 B4 O24\n1.0\n4.726590 0.000000 0.000000\n0.000000 10.010161 0.000000\n0.000000 0.000000 10.503931\nK Si B O\n4 8 4 24\ndirect\n0.801303 0.966851 0.811881 K\n0.698697 0.033148 0.311881 K\n0.301303 0.533148 0.188119 K\n0.198697 0.466852 0.688119 K\n0.789058 0.608503 0.934498 Si\n0.710942 0.391497 0.434498 Si\n0.289058 0.891497 0.065502 Si\n0.210942 0.108503 0.565502 Si\n0.266856 0.801381 0.576021 Si\n0.233144 0.198619 0.076022 Si\n0.766856 0.698619 0.423978 Si\n0.733144 0.301381 0.923978 Si\n0.707394 0.231831 0.657520 B\n0.792606 0.768169 0.157520 B\n0.207394 0.268169 0.342480 B\n0.292606 0.731831 0.842480 B\n0.380617 0.050685 0.081877 O\n0.119383 0.949315 0.581877 O\n0.975004 0.193638 0.971069 O\n0.524996 0.806362 0.471069 O\n0.475004 0.306362 0.028931 O\n0.024996 0.693638 0.528931 O\n0.606268 0.254482 0.788940 O\n0.893732 0.745518 0.288940 O\n0.106268 0.245518 0.211060 O\n0.393732 0.754482 0.711060 O\n0.545440 0.119885 0.602847 O\n0.011702 0.197059 0.660033 O\n0.045440 0.380115 0.397153 O\n0.454560 0.619885 0.897153 O\n0.662869 0.357553 0.585525 O\n0.837131 0.642447 0.085525 O\n0.162869 0.142447 0.414475 O\n0.337131 0.857553 0.914475 O\n0.619383 0.550685 0.418123 O\n0.488298 0.802941 0.160033 O\n0.511702 0.302941 0.339967 O\n0.988298 0.697059 0.839967 O\n0.954560 0.880115 0.102847 O\n0.880617 0.449315 0.918123 O\n",
"nsites": 40,
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"O"
],
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"density": 2.7007505626542434,
"density_atomic": 0.0804857762006884,
"volume": 496.9822232969641,
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"formula_full": "K4 Si8 B4 O24",
"formula_reduced": "KSi2BO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 19
},
{
"id": "jvasp-73609",
"created_at": "2022-09-04T14:36:07.485180Z",
"updated_at": "2022-09-04T14:36:07.485201Z",
"structure_string": "Be2 Cr1 Sb1\n1.0\n-1.828869 1.828869 3.943339\n1.828869 -1.828869 3.943339\n1.828869 1.828869 -3.943339\nBe Cr Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.750000 0.500000 Cr\n0.750000 0.250000 0.500000 Sb\n",
"nsites": 4,
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],
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"volume": 52.75811890883408,
"volume_molar": 7.94292045754541,
"formula_full": "Be2 Cr1 Sb1",
"formula_reduced": "Be2CrSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6298314250000003,
"spacegroup": 139
},
{
"id": "jvasp-36257",
"created_at": "2022-09-04T14:37:29.215761Z",
"updated_at": "2022-09-04T14:37:29.215790Z",
"structure_string": "Mn1 Co1 Se1\n1.0\n2.812824 2.812824 -0.000000\n2.812824 -0.000000 -2.812824\n0.000000 2.812824 -2.812824\nMn Co Se\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.749999 Co\n0.499999 0.499999 0.499999 Se\n",
"nsites": 3,
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"volume": 44.51000802153802,
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"formula_full": "Mn1 Co1 Se1",
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}
]
}