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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=4542",
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"results": [
{
"id": "jvasp-13379",
"created_at": "2022-09-04T14:38:09.007541Z",
"updated_at": "2022-09-04T14:38:09.007576Z",
"structure_string": "Al4 Cd2 Cl16\n1.0\n0.000000 7.075443 0.035339\n6.435455 0.000000 0.000000\n0.000000 -0.594808 -12.841765\nAl Cd Cl\n4 2 16\ndirect\n0.438614 0.940249 0.455681 Al\n0.849948 0.432844 0.759425 Al\n0.849948 0.567157 0.259425 Al\n0.438614 0.059752 0.955681 Al\n0.999644 0.752336 0.501152 Cd\n0.999644 0.247665 0.001152 Cd\n0.592120 0.557416 0.171388 Cl\n0.592120 0.442585 0.671388 Cl\n0.946946 0.881681 0.298510 Cl\n0.946946 0.118320 0.798510 Cl\n0.216731 0.918300 0.046574 Cl\n0.216731 0.081701 0.546574 Cl\n0.836443 0.576113 0.914618 Cl\n0.697480 0.951104 0.557566 Cl\n0.697480 0.048896 0.057566 Cl\n0.083612 0.587897 0.685187 Cl\n0.343024 0.381606 0.939630 Cl\n0.343024 0.618395 0.439630 Cl\n0.464033 0.087328 0.311264 Cl\n0.464033 0.912673 0.811263 Cl\n0.836444 0.423888 0.414618 Cl\n0.083612 0.412104 0.185188 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Cd",
"Cl"
],
"chemical_system": "Al-Cd-Cl",
"density": 2.556422435346436,
"density_atomic": 0.03763271486329434,
"volume": 584.5977384283281,
"volume_molar": 16.002408494513876,
"formula_full": "Al4 Cd2 Cl16",
"formula_reduced": "Al2CdCl8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.1171488990909093,
"spacegroup": 7
},
{
"id": "jvasp-58863",
"created_at": "2022-09-04T14:38:20.248031Z",
"updated_at": "2022-09-04T14:38:20.248056Z",
"structure_string": "Al4 Cd2 Cl16\n1.0\n0.000000 7.075466 0.035365\n6.435453 0.000000 0.000000\n0.000000 -0.594877 -12.841670\nAl Cd Cl\n4 2 16\ndirect\n0.438621 0.940254 0.455660 Al\n0.849936 0.432924 0.759444 Al\n0.849936 0.567076 0.259444 Al\n0.438621 0.059745 0.955660 Al\n0.999638 0.752444 0.501144 Cd\n0.999639 0.247556 0.001144 Cd\n0.592078 0.557340 0.171427 Cl\n0.592078 0.442660 0.671427 Cl\n0.946998 0.881604 0.298487 Cl\n0.946998 0.118396 0.798487 Cl\n0.216749 0.918159 0.046497 Cl\n0.216749 0.081841 0.546497 Cl\n0.836432 0.576087 0.914669 Cl\n0.697474 0.951183 0.557550 Cl\n0.697474 0.048816 0.057550 Cl\n0.083561 0.588100 0.685223 Cl\n0.343025 0.381599 0.939682 Cl\n0.343026 0.618400 0.439682 Cl\n0.464088 0.087197 0.311212 Cl\n0.464088 0.912802 0.811212 Cl\n0.836432 0.423913 0.414669 Cl\n0.083562 0.411900 0.185223 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Cd",
"Cl"
],
"chemical_system": "Al-Cd-Cl",
"density": 2.5564343379113788,
"density_atomic": 0.037632890079184494,
"volume": 584.5950165854692,
"volume_molar": 16.002333988510138,
"formula_full": "Al4 Cd2 Cl16",
"formula_reduced": "Al2CdCl8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.1171488990909093,
"spacegroup": 7
},
{
"id": "jvasp-2145",
"created_at": "2022-09-04T14:38:18.579588Z",
"updated_at": "2022-09-04T14:38:18.579613Z",
"structure_string": "Al4 C3\n1.0\n3.290083 -0.000430 7.955377\n1.579793 2.885984 7.955377\n-0.000725 -0.000430 8.608872\nAl C\n4 3\ndirect\n0.870070 0.870071 0.870076 Al\n0.129927 0.129927 0.129928 Al\n0.706473 0.706474 0.706478 Al\n0.293524 0.293525 0.293526 Al\n0.783181 0.783182 0.783186 C\n0.216816 0.216817 0.216818 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.923398821453252,
"density_atomic": 0.08560525755128552,
"volume": 81.77067858018356,
"volume_molar": 7.034779092151176,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.015538742857143,
"spacegroup": 166
},
{
"id": "jvasp-51351",
"created_at": "2022-09-04T14:36:52.894035Z",
"updated_at": "2022-09-04T14:36:52.894067Z",
"structure_string": "Al4 C3\n1.0\n-3.187027 -0.009497 0.000971\n1.182665 4.925845 -0.024266\n-0.331773 -2.251916 -5.112723\nAl C\n4 3\ndirect\n0.041355 0.166595 0.751066 Al\n0.638792 0.211628 0.206909 Al\n0.258509 0.661903 0.692217 Al\n0.941285 0.749544 0.228082 Al\n0.076334 0.984394 0.003698 C\n0.624052 0.346853 0.615262 C\n0.491247 0.947020 0.481974 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.9740042292378575,
"density_atomic": 0.08708712479946874,
"volume": 80.37927553721124,
"volume_molar": 6.915075878170153,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.077694457142857,
"spacegroup": 1
},
{
"id": "jvasp-52433",
"created_at": "2022-09-04T14:38:12.807303Z",
"updated_at": "2022-09-04T14:38:12.807334Z",
"structure_string": "Al4 C3\n1.0\n4.644823 0.297689 0.274447\n-2.016657 3.659361 0.145288\n-1.720253 -0.875544 4.648423\nAl C\n4 3\ndirect\n0.124629 0.468913 0.006100 Al\n0.210020 0.080903 0.633632 Al\n0.564784 0.174070 0.227693 Al\n0.579969 0.741560 0.672156 Al\n0.040889 0.915235 0.978208 C\n0.609314 0.681544 0.280818 C\n0.919068 -0.011953 0.218280 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.828005565977035,
"density_atomic": 0.08281187741314973,
"volume": 84.52893737787024,
"volume_molar": 7.272073702610856,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.107223028571429,
"spacegroup": 1
},
{
"id": "jvasp-53086",
"created_at": "2022-09-04T14:35:52.724026Z",
"updated_at": "2022-09-04T14:35:52.724061Z",
"structure_string": "Al4 C1 O1\n1.0\n2.931659 0.001011 0.034507\n0.000224 5.093117 -0.008261\n-0.070386 -0.121691 5.217669\nAl C O\n4 1 1\ndirect\n0.040351 0.787529 0.605456 Al\n0.542176 0.914593 0.088618 Al\n0.541260 0.228787 0.572824 Al\n0.041390 0.445576 0.024023 Al\n0.540758 0.570703 0.778514 C\n0.541649 0.287551 0.218894 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Al",
"C",
"O"
],
"chemical_system": "Al-C-O",
"density": 2.897065057274811,
"density_atomic": 0.07700609516786358,
"volume": 77.9159102525684,
"volume_molar": 7.8203429830749,
"formula_full": "Al4 C1 O1",
"formula_reduced": "Al4CO",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.708634116666667,
"spacegroup": 6
},
{
"id": "jvasp-4264",
"created_at": "2022-09-04T14:37:28.911678Z",
"updated_at": "2022-09-04T14:37:28.911734Z",
"structure_string": "Al4 Br12\n1.0\n0.000000 7.484806 -0.111218\n6.893358 0.000000 0.000000\n0.000000 -1.325558 -9.978995\nAl Br\n4 12\ndirect\n0.702299 0.096103 0.049604 Al\n0.297702 0.596103 0.450396 Al\n0.297702 0.903897 0.950396 Al\n0.702298 0.403897 0.549604 Al\n0.911650 0.911344 0.169782 Br\n0.088351 0.411344 0.330219 Br\n0.088351 0.088656 0.830219 Br\n0.911650 0.588656 0.669782 Br\n0.751132 0.410599 0.005725 Br\n0.248869 0.910599 0.494276 Br\n0.248868 0.589401 0.994276 Br\n0.751132 0.089401 0.505725 Br\n0.421905 0.071330 0.153474 Br\n0.578096 0.571330 0.346526 Br\n0.578096 0.928670 0.846526 Br\n0.421905 0.428670 0.653474 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Al",
"Br"
],
"chemical_system": "Al-Br",
"density": 3.4337369623570537,
"density_atomic": 0.031014545662899726,
"volume": 515.8869703882056,
"volume_molar": 19.41714969954829,
"formula_full": "Al4 Br12",
"formula_reduced": "AlBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.07416877875,
"spacegroup": 14
},
{
"id": "jvasp-49565",
"created_at": "2022-09-04T14:37:19.366214Z",
"updated_at": "2022-09-04T14:37:19.366241Z",
"structure_string": "Al4 Bi6 O18\n1.0\n-5.257377 -0.001701 0.000586\n2.627052 5.038382 -0.028510\n0.001132 -0.805840 -13.808980\nAl Bi O\n4 6 18\ndirect\n0.970422 0.919086 0.756128 Al\n0.629687 0.247122 0.107760 Al\n0.617242 0.246302 0.607735 Al\n0.948673 0.919288 0.256136 Al\n0.333351 0.679760 0.149645 Bi\n0.697324 0.355390 0.849249 Bi\n0.019834 0.038166 0.487445 Bi\n0.657743 0.355379 0.349057 Bi\n0.346177 0.679082 0.649802 Bi\n0.018046 0.038076 0.987487 Bi\n0.737412 0.760135 0.865722 O\n0.214964 0.018924 0.646804 O\n0.374977 0.925886 0.029712 O\n0.987367 0.193777 0.345223 O\n0.653428 0.545228 0.686770 O\n0.335985 0.061591 0.210075 O\n0.989483 0.408162 0.561200 O\n0.892322 0.546177 0.186940 O\n0.123250 0.672906 0.777744 O\n0.206279 0.193635 0.845084 O\n0.804127 0.019946 0.147146 O\n0.477481 0.354784 0.503439 O\n0.549597 0.673115 0.277754 O\n0.419179 0.408805 0.061219 O\n0.022786 0.760435 0.366012 O\n0.725156 0.061148 0.710001 O\n0.551189 0.924833 0.529731 O\n0.878158 0.356114 0.003568 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 7.488405098792225,
"density_atomic": 0.07653631635198678,
"volume": 365.8393993150829,
"volume_molar": 7.868344136533131,
"formula_full": "Al4 Bi6 O18",
"formula_reduced": "Al2(BiO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.3248278571428576,
"spacegroup": 9
},
{
"id": "jvasp-33040",
"created_at": "2022-09-04T14:37:34.034216Z",
"updated_at": "2022-09-04T14:37:34.034255Z",
"structure_string": "Al4 Bi4 Se4 Cl16\n1.0\n9.686879 -0.029973 -3.064041\n-5.205542 8.169463 -3.064098\n0.016537 0.029965 10.159943\nAl Bi Se Cl\n4 4 4 16\ndirect\n0.145576 0.020612 0.730790 Al\n0.979388 0.710178 0.124964 Al\n0.289821 0.414785 0.269209 Al\n0.585216 0.854424 0.875035 Al\n0.787887 0.190069 0.721272 Bi\n0.468797 0.066615 0.278729 Bi\n0.809933 0.531204 0.597818 Bi\n0.933386 0.212114 0.402182 Bi\n0.735468 0.327544 0.294657 Se\n0.672457 0.967114 0.407924 Se\n0.032887 0.440810 0.705342 Se\n0.559190 0.264533 0.592077 Se\n0.194117 0.503388 0.417149 Cl\n0.554280 0.571285 0.382275 Cl\n0.032997 0.778484 0.955349 Cl\n0.360358 0.141015 0.950920 Cl\n0.827996 0.445721 0.017006 Cl\n0.858985 0.809905 0.219342 Cl\n0.086239 0.776968 0.582851 Cl\n0.223033 0.805883 0.309271 Cl\n0.922354 0.967004 0.745487 Cl\n0.190095 0.409437 0.049080 Cl\n0.189010 0.172004 0.617725 Cl\n0.221517 0.176868 0.254513 Cl\n0.590564 0.639644 0.780658 Cl\n0.496613 0.913761 0.690728 Cl\n0.823133 0.077646 0.044650 Cl\n0.428715 0.810990 0.982995 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Al",
"Bi",
"Se",
"Cl"
],
"chemical_system": "Al-Bi-Cl-Se",
"density": 3.772219831838578,
"density_atomic": 0.03481630293937638,
"volume": 804.2209435262206,
"volume_molar": 17.296899014481827,
"formula_full": "Al4 Bi4 Se4 Cl16",
"formula_reduced": "AlBiSeCl4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.5402681052380953,
"spacegroup": 82
},
{
"id": "jvasp-32680",
"created_at": "2022-09-04T14:37:05.145751Z",
"updated_at": "2022-09-04T14:37:05.145771Z",
"structure_string": "Al4 Bi4 S4 Cl16\n1.0\n9.560944 -0.033282 -3.033233\n-5.129625 8.068440 -3.033231\n0.018356 0.033281 10.030544\nAl Bi S Cl\n4 4 4 16\ndirect\n0.976332 0.709229 0.124804 Al\n0.290771 0.415576 0.267104 Al\n0.584424 0.851528 0.875196 Al\n0.148472 0.023668 0.732896 Al\n0.932576 0.213301 0.406662 Bi\n0.474086 0.067424 0.280723 Bi\n0.806636 0.525914 0.593338 Bi\n0.786699 0.193363 0.719277 Bi\n0.566484 0.263615 0.585759 S\n0.677855 0.980726 0.414241 S\n0.019274 0.433515 0.697129 S\n0.736384 0.322145 0.302871 S\n0.589622 0.634055 0.777425 Cl\n0.085625 0.775398 0.582447 Cl\n0.187803 0.410378 0.044432 Cl\n0.365945 0.143371 0.955567 Cl\n0.192952 0.503179 0.417553 Cl\n0.496821 0.914375 0.689773 Cl\n0.920841 0.969098 0.744378 Cl\n0.224601 0.807048 0.310227 Cl\n0.224721 0.176464 0.255622 Cl\n0.196188 0.179780 0.621757 Cl\n0.558022 0.574432 0.378242 Cl\n0.030902 0.775279 0.951743 Cl\n0.820219 0.441977 0.016408 Cl\n0.425568 0.803812 0.983592 Cl\n0.823536 0.079159 0.048257 Cl\n0.856629 0.812197 0.222574 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Al",
"Bi",
"S",
"Cl"
],
"chemical_system": "Al-Bi-Cl-S",
"density": 3.5170868746719117,
"density_atomic": 0.03617585633240647,
"volume": 773.9968818628212,
"volume_molar": 16.64685060849643,
"formula_full": "Al4 Bi4 S4 Cl16",
"formula_reduced": "AlBiSCl4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.6207261957142861,
"spacegroup": 82
},
{
"id": "jvasp-19289",
"created_at": "2022-09-04T14:37:08.059524Z",
"updated_at": "2022-09-04T14:37:08.059549Z",
"structure_string": "Al4 Bi4 O14\n1.0\n6.234457 0.000007 3.599479\n2.078164 5.877870 3.599472\n0.000022 0.000008 7.198918\nAl Bi O\n4 4 14\ndirect\n0.500006 0.999980 0.500007 Al\n0.999980 0.500007 0.500006 Al\n0.500006 0.500007 0.999981 Al\n0.500007 0.500007 0.500007 Al\n-0.000001 0.500003 -0.000002 Bi\n0.500005 -0.000000 -0.000002 Bi\n-0.000001 0.000000 0.500003 Bi\n-0.000000 -0.000001 -0.000002 Bi\n0.587252 0.162748 0.162749 O\n0.162748 0.162748 0.587254 O\n0.587250 0.587251 0.162750 O\n0.837272 0.412726 0.412729 O\n0.412725 0.837275 0.412724 O\n0.412728 0.412726 0.837273 O\n0.412724 0.837277 0.837275 O\n0.837274 0.412724 0.837276 O\n0.162749 0.587250 0.587252 O\n0.587250 0.162750 0.587250 O\n0.374998 0.374999 0.374999 O\n0.624998 0.625004 0.625002 O\n0.837275 0.837274 0.412724 O\n0.162748 0.587253 0.162747 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 7.35101827056305,
"density_atomic": 0.08339460947858755,
"volume": 263.8060198081356,
"volume_molar": 7.221259020999732,
"formula_full": "Al4 Bi4 O14",
"formula_reduced": "Al2Bi2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.2883689727272727,
"spacegroup": 227
},
{
"id": "jvasp-43370",
"created_at": "2022-09-04T14:37:58.347385Z",
"updated_at": "2022-09-04T14:37:58.347405Z",
"structure_string": "Al4 Bi4 O12\n1.0\n0.000000 7.210851 -0.192953\n5.069294 0.000000 0.000000\n0.000000 -3.740146 -7.423544\nAl Bi O\n4 4 12\ndirect\n0.091819 0.739518 0.508068 Al\n0.091819 0.760481 0.008068 Al\n0.908180 0.239518 0.991931 Al\n0.908180 0.260481 0.491931 Al\n0.297966 0.234436 0.880845 Bi\n0.297966 0.265564 0.380845 Bi\n0.702033 0.734435 0.619154 Bi\n0.702033 0.765564 0.119154 Bi\n0.976863 0.047067 0.838569 O\n0.655544 0.360959 0.470920 O\n0.829659 0.577917 0.900119 O\n0.344455 0.860959 0.029079 O\n0.655543 0.139040 0.970920 O\n0.170339 0.077918 0.599880 O\n0.344455 0.639040 0.529079 O\n0.023136 0.952932 0.161430 O\n0.829660 0.922081 0.400119 O\n0.023135 0.547067 0.661430 O\n0.170340 0.422082 0.099880 O\n0.976863 0.452932 0.338569 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 6.85812348461815,
"density_atomic": 0.07272250462992413,
"volume": 275.0180305502064,
"volume_molar": 8.280986457556617,
"formula_full": "Al4 Bi4 O12",
"formula_reduced": "AlBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.63981752,
"spacegroup": 14
}
]
}