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=density&page=176",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=174",
"results": [
{
"id": "jvasp-10675",
"created_at": "2022-09-04T14:37:27.796191Z",
"updated_at": "2022-09-04T14:37:27.796222Z",
"structure_string": "Ag1 B1 C4 N4\n1.0\n5.726406 -0.000000 -0.000000\n-0.000000 5.726406 0.000000\n0.000000 0.000000 5.726406\nAg B C N\n1 1 4 4\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 B\n0.840265 0.840265 0.840265 C\n0.159736 0.840265 0.159736 C\n0.159736 0.159736 0.840265 C\n0.840265 0.159736 0.159736 C\n0.723426 0.723426 0.723426 N\n0.276574 0.723426 0.276574 N\n0.276574 0.276574 0.723426 N\n0.723426 0.276574 0.276574 N\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ag",
"B",
"C",
"N"
],
"chemical_system": "Ag-B-C-N",
"density": 1.9697815362096631,
"density_atomic": 0.053254166494288574,
"volume": 187.77873466618775,
"volume_molar": 11.308299718944744,
"formula_full": "Ag1 B1 C4 N4",
"formula_reduced": "AgB(CN)4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 5.893231284333332,
"spacegroup": 215
},
{
"id": "jvasp-52831",
"created_at": "2022-09-04T14:36:31.558602Z",
"updated_at": "2022-09-04T14:36:31.558630Z",
"structure_string": "Na2 H6 C4 O10\n1.0\n-5.719917 0.013985 0.016171\n2.216218 5.925045 0.004801\n-0.550811 -1.592369 -6.464231\nNa H C O\n2 6 4 10\ndirect\n0.759066 0.753786 0.972901 Na\n0.240935 0.246216 0.027099 Na\n0.232017 0.799742 0.766040 H\n0.767984 0.200260 0.233960 H\n0.254786 0.776300 -0.003117 H\n0.745214 0.223702 0.003118 H\n0.992726 0.743824 0.393426 H\n0.007274 0.256177 0.606574 H\n0.597780 0.277219 0.642329 C\n0.402221 0.722783 0.357671 C\n0.646995 0.742167 0.458782 C\n0.353006 0.257835 0.541218 C\n0.180639 0.843762 0.911139 O\n0.659596 0.756321 0.644616 O\n0.340404 0.243680 0.355384 O\n0.828655 0.735633 0.325486 O\n0.171346 0.264368 0.674514 O\n0.387083 0.667215 0.163246 O\n0.612917 0.332787 0.836755 O\n0.235233 0.761871 0.483177 O\n0.764767 0.238131 0.516823 O\n0.819362 0.156240 0.088861 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"H",
"C",
"O"
],
"chemical_system": "C-H-Na-O",
"density": 1.969832303336295,
"density_atomic": 0.10035121527769506,
"volume": 219.23003063909994,
"volume_molar": 6.001064106035329,
"formula_full": "Na2 H6 C4 O10",
"formula_reduced": "NaH3C2O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 3.3098178636363635,
"spacegroup": 2
},
{
"id": "jvasp-37751",
"created_at": "2022-09-04T14:38:07.151557Z",
"updated_at": "2022-09-04T14:38:07.151588Z",
"structure_string": "K3 Cd1\n1.0\n5.785204 0.000000 0.000000\n0.000000 5.785204 0.000000\n0.000000 0.000000 5.785204\nK Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Cd"
],
"chemical_system": "Cd-K",
"density": 1.9699954098069343,
"density_atomic": 0.02065874608969303,
"volume": 193.6225936769542,
"volume_molar": 29.150562835972604,
"formula_full": "K3 Cd1",
"formula_reduced": "K3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-25087",
"created_at": "2022-09-04T14:37:38.865644Z",
"updated_at": "2022-09-04T14:37:38.865666Z",
"structure_string": "P24\n1.0\n5.432660 0.010771 -0.884853\n-2.172194 10.559686 -0.870171\n0.060478 -0.058874 10.909360\nP\n24\ndirect\n0.084468 -0.008951 0.173026 P\n0.801623 0.490817 0.634275 P\n0.198379 0.509184 0.365726 P\n0.079349 0.365728 0.632999 P\n0.920652 0.634273 0.367002 P\n0.693382 0.300150 0.524266 P\n0.306620 0.699851 0.475735 P\n0.634768 0.679443 0.018078 P\n0.365234 0.320557 0.981923 P\n0.493131 0.679563 0.816273 P\n0.506870 0.320438 0.183727 P\n0.415931 0.822957 0.956556 P\n0.584070 0.177043 0.043445 P\n0.225842 0.621366 0.943396 P\n0.774159 0.378635 0.056604 P\n0.762662 0.987191 0.623851 P\n0.237339 0.012809 0.376149 P\n-0.009136 0.853197 0.699839 P\n0.009138 0.146804 0.300161 P\n0.173038 0.052756 0.691759 P\n0.826964 0.947244 0.308242 P\n0.915533 0.008951 0.826975 P\n0.243566 0.681854 0.268239 P\n0.756435 0.318147 0.731762 P\n",
"nsites": 24,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 1.971035227404593,
"density_atomic": 0.03832227930998835,
"volume": 626.2675506815332,
"volume_molar": 15.714463931769277,
"formula_full": "P24",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy_above_hull": 0.1741999999999999,
"spacegroup": 2
},
{
"id": "jvasp-11987",
"created_at": "2022-09-04T14:36:55.752890Z",
"updated_at": "2022-09-04T14:36:55.752910Z",
"structure_string": "Mg3 Al1\n1.0\n4.382168 0.000000 0.000000\n0.000000 4.382168 0.000000\n-0.000000 -0.000000 4.382168\nMg Al\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 1.9712080687823412,
"density_atomic": 0.047532747892657615,
"volume": 84.15250910873344,
"volume_molar": 12.669456378999374,
"formula_full": "Mg3 Al1",
"formula_reduced": "Mg3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3132268285714286,
"spacegroup": 221
},
{
"id": "jvasp-120355",
"created_at": "2022-09-04T14:38:48.313242Z",
"updated_at": "2022-09-04T14:38:48.313271Z",
"structure_string": "Na2 Se1\n1.0\n4.989955 0.000000 0.000000\n-2.494977 4.321427 0.000000\n-0.000000 0.000000 4.880693\nNa Se\n2 1\ndirect\n0.333333 0.666667 0.000000 Na\n0.666666 0.333333 0.000000 Na\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 1.9712590216181414,
"density_atomic": 0.02850466580122472,
"volume": 105.24592783933299,
"volume_molar": 21.126859728842195,
"formula_full": "Na2 Se1",
"formula_reduced": "Na2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1206266666666667,
"spacegroup": 191
},
{
"id": "jvasp-97720",
"created_at": "2022-09-04T14:36:12.400497Z",
"updated_at": "2022-09-04T14:36:12.400512Z",
"structure_string": "Si12 O24\n1.0\n8.711579 0.000000 -3.080009\n-4.355790 7.544449 -3.080009\n-0.000000 -0.000000 9.240025\nSi O\n12 24\ndirect\n0.249243 0.624622 0.124622 Si\n0.624622 0.500000 0.375378 Si\n0.875378 0.500000 0.124622 Si\n0.875378 0.375378 0.750757 Si\n0.624622 0.124622 0.249243 Si\n0.124622 0.875379 0.500000 Si\n0.500000 0.124622 0.875379 Si\n0.500000 0.375378 0.624622 Si\n0.750757 0.875379 0.375378 Si\n0.375378 0.750757 0.875379 Si\n0.124622 0.249243 0.624622 Si\n0.375378 0.624622 0.500000 Si\n0.262337 0.631169 0.631169 O\n0.368831 0.631169 -0.000000 O\n0.500000 0.912451 0.087549 O\n0.631169 0.000000 0.368831 O\n0.000000 0.631169 0.368831 O\n0.912451 0.087549 0.500000 O\n0.368831 0.737663 0.368831 O\n0.500000 0.587549 0.412451 O\n0.824902 0.412451 0.912451 O\n0.737663 0.368831 0.368831 O\n0.631169 0.368831 -0.000000 O\n0.087549 0.500000 0.912451 O\n0.000000 0.368831 0.631169 O\n0.412451 0.500000 0.587549 O\n0.587549 0.175098 0.087549 O\n0.587549 0.412451 0.500000 O\n0.631169 0.631169 0.262337 O\n0.087549 0.587549 0.175098 O\n0.368831 0.368831 0.737663 O\n0.631169 0.262337 0.631169 O\n0.912451 0.824902 0.412451 O\n0.412451 0.912451 0.824902 O\n0.175098 0.087549 0.587549 O\n0.368831 0.000000 0.631169 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9714864509245769,
"density_atomic": 0.05927955681269586,
"volume": 607.2919896103189,
"volume_molar": 10.158882899593882,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9949085333333332,
"spacegroup": 211
},
{
"id": "jvasp-120358",
"created_at": "2022-09-04T14:38:48.327349Z",
"updated_at": "2022-09-04T14:38:48.327370Z",
"structure_string": "Na2 Se1\n1.0\n4.839598 0.000000 -1.209126\n0.000000 4.879754 0.000000\n-1.368477 0.000000 4.796338\nNa Se\n2 1\ndirect\n-0.200015 0.000000 -0.199965 Na\n0.133350 0.000000 0.466614 Na\n0.466665 0.000000 0.133351 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 1.9721907201061106,
"density_atomic": 0.02851813828441228,
"volume": 105.1962077636663,
"volume_molar": 21.11687901903344,
"formula_full": "Na2 Se1",
"formula_reduced": "Na2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.12069,
"spacegroup": 191
},
{
"id": "jvasp-32962",
"created_at": "2022-09-04T14:37:13.503726Z",
"updated_at": "2022-09-04T14:37:13.503747Z",
"structure_string": "Mn2 C8 N2 O10\n1.0\n6.536732 -0.000000 0.000000\n-3.268366 5.481238 -1.718427\n0.000000 -0.002788 9.257434\nMn C N O\n2 8 2 10\ndirect\n0.124387 -0.000000 0.750000 Mn\n0.875613 -0.000000 0.250000 Mn\n0.290687 0.272318 0.683051 C\n0.639368 0.835477 0.085603 C\n0.803891 0.164523 0.414396 C\n0.360631 0.164523 0.914396 C\n0.018369 0.727682 0.816948 C\n0.981630 0.272318 0.183051 C\n0.709312 0.727682 0.316948 C\n0.196108 0.835477 0.585603 C\n0.865363 -0.000000 0.750000 N\n0.134637 -0.000000 0.250000 N\n0.314397 -0.000000 0.250000 O\n0.235785 0.729672 0.479354 O\n0.043578 0.440687 0.141272 O\n0.956421 0.559313 0.858727 O\n0.506114 0.270328 0.020646 O\n0.397108 0.440687 0.641272 O\n0.602891 0.559313 0.358728 O\n0.493885 0.729672 0.979354 O\n0.685603 -0.000000 0.750000 O\n0.764214 0.270328 0.520645 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mn",
"C",
"N",
"O"
],
"chemical_system": "C-Mn-N-O",
"density": 1.972523971961779,
"density_atomic": 0.06633362387544928,
"volume": 331.6568387897531,
"volume_molar": 9.07856439640237,
"formula_full": "Mn2 C8 N2 O10",
"formula_reduced": "MnC4NO5",
"formula_anonymous": "ABC4D5",
"energy_above_hull": 4.9543879992163005,
"spacegroup": 15
},
{
"id": "jvasp-100231",
"created_at": "2022-09-04T14:36:33.876840Z",
"updated_at": "2022-09-04T14:36:33.876861Z",
"structure_string": "Sr2 Ca6\n1.0\n7.893851 0.000000 0.000000\n-3.946926 6.836276 0.000000\n0.000000 0.000000 6.481824\nSr Ca\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164572 0.329142 0.250000 Ca\n0.670858 0.835429 0.250000 Ca\n0.164571 0.835429 0.250000 Ca\n0.835428 0.670858 0.750000 Ca\n0.329142 0.164572 0.750000 Ca\n0.835428 0.164572 0.750000 Ca\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 1.9734754696205994,
"density_atomic": 0.02287095185768741,
"volume": 349.7886773484257,
"volume_molar": 26.330958140580538,
"formula_full": "Sr2 Ca6",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0008875,
"spacegroup": 194
},
{
"id": "jvasp-112200",
"created_at": "2022-09-04T14:38:45.567078Z",
"updated_at": "2022-09-04T14:38:45.567095Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.906190 0.102083 0.746012\n1.164504 4.371069 0.513901\n-0.033334 0.177806 16.905738\nCd H C O\n1 20 12 4\ndirect\n-0.023065 0.154599 0.861819 Cd\n0.732003 0.058567 0.507194 H\n0.898037 0.548606 0.589001 H\n0.728812 0.295392 0.025728 H\n0.538043 0.295330 0.208011 H\n0.713049 0.966716 0.151837 H\n0.706591 0.628093 0.288248 H\n0.287335 0.588314 0.335203 H\n0.808087 0.578971 0.439111 H\n0.358385 0.593777 0.474688 H\n0.513514 0.656996 0.068021 H\n0.441905 0.580210 0.622039 H\n0.005618 0.457581 0.135153 H\n0.180738 0.120471 0.081953 H\n0.998830 0.109927 0.265746 H\n0.175112 0.789720 0.207445 H\n0.605190 0.097029 0.361880 H\n0.158717 0.100260 0.396848 H\n0.824900 0.044138 0.651729 H\n0.371722 0.084054 0.682973 H\n0.277462 0.087490 0.539831 H\n0.283468 0.569553 0.971576 C\n0.470208 0.459138 0.044620 C\n0.255492 0.291704 0.110321 C\n0.462932 0.127269 0.178498 C\n0.250706 0.948319 0.240310 C\n0.430841 0.760796 0.310550 C\n0.633923 0.716014 0.602183 C\n0.540559 0.739419 0.455258 C\n0.541972 0.919782 0.525746 C\n0.629992 0.909642 0.670225 C\n0.719882 0.734959 0.749407 C\n0.429809 0.945884 0.380481 C\n0.359345 0.388324 0.914045 O\n0.610155 0.880699 0.813973 O\n0.910942 0.455278 0.747860 O\n0.053335 0.832236 0.971818 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9743298860459937,
"density_atomic": 0.12912358236539595,
"volume": 286.5471924043806,
"volume_molar": 4.663858181194548,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595764966216217,
"spacegroup": 1
},
{
"id": "jvasp-95258",
"created_at": "2022-09-04T14:36:06.744564Z",
"updated_at": "2022-09-04T14:36:06.744589Z",
"structure_string": "Cr2 P4 H30 N4 O22\n1.0\n6.274911 6.016025 -1.699370\n-6.274911 6.016025 1.699370\n0.015969 0.000000 7.416279\nCr P H N O\n2 4 30 4 22\ndirect\n0.780449 0.219551 0.218429 Cr\n0.219552 0.780449 0.781572 Cr\n0.755511 0.494068 0.853422 P\n0.505933 0.244490 0.853422 P\n0.244490 0.505932 0.146578 P\n0.494068 0.755511 0.146578 P\n0.026557 0.973443 0.816485 H\n0.967932 0.168414 0.999248 H\n0.831586 0.032069 0.999248 H\n0.032069 0.831586 0.000753 H\n0.168414 0.967932 0.000753 H\n0.144226 0.271693 0.766949 H\n0.979318 0.350334 0.737618 H\n0.271693 0.144226 0.233051 H\n0.973444 0.026557 0.183515 H\n0.649667 0.020683 0.737618 H\n0.020683 0.649667 0.262382 H\n0.350334 0.979318 0.262382 H\n0.728308 0.855775 0.766949 H\n0.399465 0.737599 0.541702 H\n0.855775 0.728308 0.233051 H\n0.600536 0.262402 0.458298 H\n0.262402 0.600536 0.541702 H\n0.316043 0.316043 0.000000 H\n0.041720 0.352124 0.340871 H\n0.647876 0.958281 0.340871 H\n0.958281 0.647876 0.659129 H\n0.352125 0.041720 0.659129 H\n0.683958 0.683958 -0.000000 H\n0.759148 0.004787 0.524368 H\n0.737599 0.399465 0.458298 H\n0.004787 0.759147 0.475632 H\n0.240853 0.995214 0.475632 H\n0.588197 0.411804 0.285802 H\n0.411804 0.588197 0.714198 H\n0.995214 0.240853 0.524368 H\n0.901639 0.098362 0.084378 N\n0.098362 0.901639 0.915622 N\n0.664045 0.335956 0.372462 N\n0.335956 0.664045 0.627538 N\n0.490492 0.850673 0.295050 O\n0.030917 0.253245 0.739275 O\n0.746756 0.969084 0.739275 O\n0.254498 0.980971 0.617493 O\n0.019029 0.745503 0.617493 O\n0.745503 0.019029 0.382507 O\n0.980971 0.254498 0.382507 O\n0.411997 0.588003 0.211246 O\n0.588003 0.411997 0.788754 O\n0.149328 0.509508 0.295050 O\n0.588595 0.178547 0.049606 O\n0.850673 0.490492 0.704950 O\n0.660234 0.716294 0.142581 O\n0.283707 0.339767 0.142581 O\n0.339767 0.283707 0.857419 O\n0.716294 0.660234 0.857419 O\n0.411406 0.821454 0.950394 O\n0.178547 0.588595 0.950394 O\n0.821454 0.411406 0.049606 O\n0.969084 0.746756 0.260725 O\n0.509509 0.149328 0.704950 O\n0.253245 0.030917 0.260725 O\n",
"nsites": 62,
"nelements": 5,
"elements": [
"Cr",
"P",
"H",
"N",
"O"
],
"chemical_system": "Cr-H-N-O-P",
"density": 1.9743654898532432,
"density_atomic": 0.11066371649374797,
"volume": 560.2558992630862,
"volume_molar": 5.441838527391429,
"formula_full": "Cr2 P4 H30 N4 O22",
"formula_reduced": "CrP2H15N2O11",
"formula_anonymous": "AB2C2D11E15",
"energy_above_hull": 3.5398165612903227,
"spacegroup": 12
}
]
}