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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=950",
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"results": [
{
"id": "jvasp-59496",
"created_at": "2022-09-04T14:37:08.157257Z",
"updated_at": "2022-09-04T14:37:08.157285Z",
"structure_string": "Cd4 Re4 O14\n1.0\n6.342636 -0.000000 3.661923\n2.114212 5.979894 3.661923\n0.000000 -0.000000 7.323846\nCd Re O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Cd\n-0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n-0.000000 0.500000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.500000 0.000000 -0.000000 Re\n0.065124 0.684876 0.065124 O\n0.684877 0.065124 0.684876 O\n0.684877 0.065124 0.065123 O\n0.625000 0.625000 0.625000 O\n0.934877 0.315124 0.315123 O\n0.315124 0.934876 0.315124 O\n0.315124 0.315124 0.934877 O\n0.934877 0.934876 0.315123 O\n0.934877 0.315124 0.934876 O\n0.065124 0.684876 0.684877 O\n0.315124 0.934876 0.934877 O\n0.375000 0.375000 0.375000 O\n0.684877 0.684876 0.065123 O\n0.065124 0.065124 0.684877 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"Re",
"O"
],
"chemical_system": "Cd-O-Re",
"density": 8.479393998295462,
"density_atomic": 0.07919909211398764,
"volume": 277.7809620385093,
"volume_molar": 7.603800244745997,
"formula_full": "Cd4 Re4 O14",
"formula_reduced": "Cd2Re2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.830293636363636,
"spacegroup": 227
},
{
"id": "jvasp-26872",
"created_at": "2022-09-04T14:38:30.233236Z",
"updated_at": "2022-09-04T14:38:30.233264Z",
"structure_string": "Cd4 Ru4 O14\n1.0\n6.240347 0.000000 3.602866\n2.080116 5.883456 3.602866\n0.000000 0.000000 7.205733\nCd Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 -0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ru\n-0.000000 -0.000000 0.500000 Ru\n0.500000 -0.000000 0.000000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.318814 0.931187 0.931186 O\n0.068814 0.681187 0.681186 O\n0.931187 0.318814 0.931186 O\n0.931187 0.931187 0.318814 O\n0.318814 0.318814 0.931186 O\n0.318814 0.931187 0.318813 O\n0.068814 0.068814 0.681186 O\n0.681187 0.068814 0.681186 O\n0.681187 0.068814 0.068814 O\n0.375000 0.375000 0.375000 O\n0.681187 0.681187 0.068814 O\n0.931187 0.318814 0.318814 O\n0.068814 0.681187 0.068813 O\n0.625001 0.625000 0.625000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"Ru",
"O"
],
"chemical_system": "Cd-O-Ru",
"density": 6.765726524705752,
"density_atomic": 0.08315785250436372,
"volume": 264.557096382997,
"volume_molar": 7.241818515796794,
"formula_full": "Cd4 Ru4 O14",
"formula_reduced": "Cd2Ru2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.3215131818181813,
"spacegroup": 227
},
{
"id": "jvasp-35219",
"created_at": "2022-09-04T14:37:34.265851Z",
"updated_at": "2022-09-04T14:37:34.265885Z",
"structure_string": "Cd4 S1 F6\n1.0\n-1.937439 -3.355743 0.000000\n1.937464 -3.355757 0.000103\n0.000340 -2.237358 12.532881\nCd S F\n4 1 6\ndirect\n0.208171 0.208177 0.375482 Cd\n0.791831 0.791822 0.624518 Cd\n0.625630 0.625619 0.123122 Cd\n0.374372 0.374380 0.876877 Cd\n0.000000 0.000000 0.000000 S\n0.145765 0.145768 0.562703 F\n0.854237 0.854231 0.437297 F\n0.437218 0.437210 0.688355 F\n0.562784 0.562789 0.311644 F\n0.729929 0.729944 0.810201 F\n0.270073 0.270056 0.189799 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Cd",
"S",
"F"
],
"chemical_system": "Cd-F-S",
"density": 6.0698242170949,
"density_atomic": 0.06749825184331451,
"volume": 162.967183587726,
"volume_molar": 8.921921080236798,
"formula_full": "Cd4 S1 F6",
"formula_reduced": "Cd4SF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 9.909090909090978e-05,
"spacegroup": 166
},
{
"id": "jvasp-27535",
"created_at": "2022-09-04T14:38:05.260915Z",
"updated_at": "2022-09-04T14:38:05.260934Z",
"structure_string": "Cd4 S4 O12\n1.0\n0.000000 4.478879 0.096286\n8.761206 0.000000 0.000000\n0.000000 -0.287057 -7.234933\nCd S O\n4 4 12\ndirect\n0.766704 0.707038 0.516109 Cd\n0.233295 0.207038 0.983890 Cd\n0.233295 0.292963 0.483890 Cd\n0.766704 0.792963 0.016109 Cd\n0.261123 0.575227 0.790220 S\n0.738877 0.075227 0.709779 S\n0.738877 0.424774 0.209779 S\n0.261123 0.924774 0.290221 S\n0.711389 0.367484 0.412032 O\n0.288610 0.867484 0.087967 O\n0.926510 0.896063 0.315391 O\n0.073490 0.396063 0.184608 O\n0.073489 0.103937 0.684608 O\n0.292534 0.400422 0.769831 O\n0.707465 0.599579 0.230168 O\n0.292534 0.099579 0.269831 O\n0.711389 0.132516 0.912032 O\n0.707465 0.900422 0.730168 O\n0.926510 0.603938 0.815391 O\n0.288610 0.632517 0.587967 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-S",
"density": 4.506967947313849,
"density_atomic": 0.07050710014358241,
"volume": 283.65937557028303,
"volume_molar": 8.541183437889748,
"formula_full": "Cd4 S4 O12",
"formula_reduced": "CdSO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.27994405,
"spacegroup": 14
},
{
"id": "jvasp-45323",
"created_at": "2022-09-04T14:37:00.548953Z",
"updated_at": "2022-09-04T14:37:00.548975Z",
"structure_string": "Cd4 S4 O12\n1.0\n0.000000 4.478704 0.096236\n8.760013 0.000000 0.000000\n0.000000 -0.287028 -7.235833\nCd S O\n4 4 12\ndirect\n0.766554 0.707010 0.516081 Cd\n0.233445 0.207010 0.983918 Cd\n0.233445 0.292989 0.483918 Cd\n0.766554 0.792989 0.016081 Cd\n0.261006 0.575247 0.790248 S\n0.738992 0.075247 0.709751 S\n0.738993 0.424753 0.209751 S\n0.261006 0.924753 0.290248 S\n0.711491 0.367470 0.411993 O\n0.288508 0.867470 0.088006 O\n0.926382 0.896073 0.315404 O\n0.073617 0.396073 0.184595 O\n0.073617 0.103927 0.684595 O\n0.292517 0.400425 0.769859 O\n0.707481 0.599574 0.230140 O\n0.292518 0.099574 0.269860 O\n0.711491 0.132529 0.911993 O\n0.707481 0.900425 0.730139 O\n0.926381 0.603926 0.815404 O\n0.288508 0.632529 0.588006 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-S",
"density": 4.507194472194018,
"density_atomic": 0.070510643903511,
"volume": 283.6451192726113,
"volume_molar": 8.540754170733269,
"formula_full": "Cd4 S4 O12",
"formula_reduced": "CdSO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.27994405,
"spacegroup": 14
},
{
"id": "jvasp-49246",
"created_at": "2022-09-04T14:38:31.929084Z",
"updated_at": "2022-09-04T14:38:31.929100Z",
"structure_string": "Cd4 Sb4 O14\n1.0\n6.348822 -0.000000 3.657132\n2.171740 6.052972 3.569215\n-0.008922 0.005687 7.354869\nCd Sb O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 -0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.597412 0.664950 0.140226 O\n0.402588 0.335051 0.859775 O\n0.902588 0.359775 0.835050 O\n0.325396 0.320181 0.444463 O\n0.250000 0.901590 0.598410 O\n0.590041 0.055537 0.179819 O\n0.825396 0.944463 0.820182 O\n0.909958 0.320181 0.444463 O\n0.674604 0.679819 0.555537 O\n0.409958 0.944463 0.820182 O\n0.174604 0.055537 0.179819 O\n0.090042 0.679819 0.555537 O\n0.750000 0.098410 0.401590 O\n0.097412 0.640225 0.164950 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"Sb",
"O"
],
"chemical_system": "Cd-O-Sb",
"density": 6.816294852463335,
"density_atomic": 0.07780564317044573,
"volume": 282.7558401105364,
"volume_molar": 7.7399794084441105,
"formula_full": "Cd4 Sb4 O14",
"formula_reduced": "Cd2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.6595723818181811,
"spacegroup": 74
},
{
"id": "jvasp-29431",
"created_at": "2022-09-04T14:37:58.167097Z",
"updated_at": "2022-09-04T14:37:58.167129Z",
"structure_string": "Cd4 Sb4 S8 Cl4\n1.0\n3.955727 0.000000 0.000000\n-0.000000 9.587592 0.000000\n0.000000 0.000000 12.573216\nCd Sb S Cl\n4 4 8 4\ndirect\n0.750001 0.000188 0.269140 Cd\n0.250000 0.499812 0.769140 Cd\n0.250000 -0.000188 0.730860 Cd\n0.750001 0.500188 0.230860 Cd\n0.750001 0.812576 0.969930 Sb\n0.750001 0.312576 0.530070 Sb\n0.250000 0.187424 0.030070 Sb\n0.250000 0.687423 0.469930 Sb\n0.750001 0.741238 0.332996 S\n0.250000 0.258762 0.667004 S\n0.250000 0.946881 0.110406 S\n0.250000 0.758762 0.832996 S\n0.750001 0.053119 0.889594 S\n0.250000 0.446881 0.389594 S\n0.750001 0.241238 0.167004 S\n0.750001 0.553119 0.610406 S\n0.750001 0.426241 0.896070 Cl\n0.250000 0.073759 0.396070 Cl\n0.250000 0.573759 0.103930 Cl\n0.750001 0.926241 0.603931 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Sb",
"S",
"Cl"
],
"chemical_system": "Cd-Cl-S-Sb",
"density": 4.648933518622831,
"density_atomic": 0.04194186742736233,
"volume": 476.8504891833276,
"volume_molar": 14.358303836684282,
"formula_full": "Cd4 Sb4 S8 Cl4",
"formula_reduced": "CdSbS2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6360759835000003,
"spacegroup": 62
},
{
"id": "jvasp-45365",
"created_at": "2022-09-04T14:37:06.594076Z",
"updated_at": "2022-09-04T14:37:06.594089Z",
"structure_string": "Cd4 Se4 O12\n1.0\n5.379094 -0.000000 0.000000\n0.000000 6.321494 0.000000\n0.000000 0.000000 8.180321\nCd Se O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.484163 0.975060 0.750000 Se\n0.984162 0.524939 0.250000 Se\n0.015837 0.475061 0.750000 Se\n0.515837 0.024939 0.250000 Se\n0.703431 0.406777 0.750000 O\n0.203432 0.093223 0.250000 O\n0.633520 0.173332 0.086769 O\n0.133520 0.326668 0.913230 O\n0.866479 0.673332 0.413230 O\n0.133520 0.326668 0.586769 O\n0.366480 0.826668 0.913230 O\n0.866479 0.673332 0.086769 O\n0.296568 0.593222 0.250000 O\n0.633520 0.173332 0.413230 O\n0.366480 0.826668 0.586769 O\n0.796568 0.906777 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"Se",
"O"
],
"chemical_system": "Cd-O-Se",
"density": 5.715814784393871,
"density_atomic": 0.07190031382818729,
"volume": 278.16290270709976,
"volume_molar": 8.3756807715617,
"formula_full": "Cd4 Se4 O12",
"formula_reduced": "CdSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2143467233333334,
"spacegroup": 62
},
{
"id": "jvasp-9607",
"created_at": "2022-09-04T14:38:13.959670Z",
"updated_at": "2022-09-04T14:38:13.959694Z",
"structure_string": "Cd4 Si2 O8\n1.0\n5.652743 -0.026828 -1.363987\n-3.022367 4.776978 -1.363987\n-0.013205 -0.023847 6.713524\nCd Si O\n4 2 8\ndirect\n0.807896 0.192101 0.749999 Cd\n0.442101 0.557897 0.749999 Cd\n0.192101 0.807898 0.249999 Cd\n0.557897 0.442102 0.249999 Cd\n0.124999 0.875000 0.749999 Si\n0.874999 0.125000 0.249999 Si\n0.249869 0.208475 0.898109 O\n0.310364 0.851761 0.601889 O\n0.791522 0.750129 0.601888 O\n0.148238 0.689634 0.898109 O\n0.750129 0.791524 0.101889 O\n0.689633 0.148239 0.398109 O\n0.851760 0.310365 0.101889 O\n0.208475 0.249870 0.398110 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-O-Si",
"density": 5.834963973632426,
"density_atomic": 0.07761718594500586,
"volume": 180.3724243483837,
"volume_molar": 7.7587723474887,
"formula_full": "Cd4 Si2 O8",
"formula_reduced": "Cd2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1811760142857135,
"spacegroup": 70
},
{
"id": "jvasp-57061",
"created_at": "2022-09-04T14:37:39.915006Z",
"updated_at": "2022-09-04T14:37:39.915024Z",
"structure_string": "Cd4 Si2 O8\n1.0\n5.378823 0.000000 3.105463\n1.792941 5.071202 3.105463\n0.000000 0.000000 6.210929\nCd Si O\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.875000 0.875000 0.875000 Si\n0.125000 0.125000 0.125000 Si\n0.764764 0.205708 0.764764 O\n0.235236 0.235236 0.794292 O\n0.235236 0.794292 0.235235 O\n0.764764 0.764764 0.764764 O\n0.794292 0.235236 0.235235 O\n0.764764 0.764764 0.205708 O\n0.235236 0.235236 0.235236 O\n0.205708 0.764764 0.764764 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-O-Si",
"density": 6.212316784397882,
"density_atomic": 0.08263676505678909,
"volume": 169.41611872607808,
"volume_molar": 7.287483671295101,
"formula_full": "Cd4 Si2 O8",
"formula_reduced": "Cd2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1977817285714278,
"spacegroup": 227
},
{
"id": "jvasp-53632",
"created_at": "2022-09-04T14:37:08.220422Z",
"updated_at": "2022-09-04T14:37:08.220455Z",
"structure_string": "Cd4 Sn2 O8\n1.0\n5.784811 0.083612 3.241784\n2.007100 5.426101 3.241784\n-0.000000 -0.000000 6.483570\nCd Sn O\n4 2 8\ndirect\n0.111036 0.111036 0.138964 Cd\n0.500000 0.500000 -0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.888964 0.888964 0.861035 Cd\n0.500000 -0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.250317 0.250317 0.282228 O\n0.250317 0.250317 0.717138 O\n0.226183 0.705205 0.284306 O\n0.705205 0.226183 0.284306 O\n0.294795 0.773817 0.715693 O\n0.773817 0.294795 0.715693 O\n0.749683 0.749682 0.282861 O\n0.749683 0.749682 0.717771 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Sn",
"O"
],
"chemical_system": "Cd-O-Sn",
"density": 6.686134920864168,
"density_atomic": 0.06916158225904845,
"volume": 202.42451868093826,
"volume_molar": 8.707349605513283,
"formula_full": "Cd4 Sn2 O8",
"formula_reduced": "Cd2SnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8134993142857136,
"spacegroup": 74
},
{
"id": "jvasp-9748",
"created_at": "2022-09-04T14:38:15.932156Z",
"updated_at": "2022-09-04T14:38:15.932167Z",
"structure_string": "Cd4 Sn2 O8\n1.0\n3.235683 0.000000 0.000000\n0.000000 5.643353 0.000000\n0.000000 -0.000000 10.063505\nCd Sn O\n4 2 8\ndirect\n0.500000 0.058968 0.323950 Cd\n0.500000 0.941031 0.676050 Cd\n0.500000 0.441031 0.823951 Cd\n0.500000 0.558968 0.176050 Cd\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.135220 0.807787 O\n0.000000 0.864780 0.192214 O\n0.000000 0.635219 0.692214 O\n0.000000 0.364780 0.307786 O\n0.500000 0.264308 0.539514 O\n0.500000 0.735692 0.460486 O\n0.500000 0.235692 0.039514 O\n0.500000 0.764307 0.960487 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Sn",
"O"
],
"chemical_system": "Cd-O-Sn",
"density": 7.365221302406822,
"density_atomic": 0.07618607237089194,
"volume": 183.7606213881806,
"volume_molar": 7.904516629604929,
"formula_full": "Cd4 Sn2 O8",
"formula_reduced": "Cd2SnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8102435999999994,
"spacegroup": 55
}
]
}