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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=932",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=930",
"results": [
{
"id": "jvasp-93256",
"created_at": "2022-09-04T14:36:31.889935Z",
"updated_at": "2022-09-04T14:36:31.889954Z",
"structure_string": "Cd1 H1 Cl3\n1.0\n5.159493 -0.000000 0.000000\n-0.000000 5.159493 -0.000000\n0.000000 0.000000 5.159493\nCd H Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cd",
"H",
"Cl"
],
"chemical_system": "Cd-Cl-H",
"density": 2.65712578057276,
"density_atomic": 0.036403984569979675,
"volume": 137.34760244138823,
"volume_molar": 16.54253189901119,
"formula_full": "Cd1 H1 Cl3",
"formula_reduced": "CdHCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2261583905000002,
"spacegroup": 221
},
{
"id": "jvasp-29915",
"created_at": "2022-09-04T14:37:08.226429Z",
"updated_at": "2022-09-04T14:37:08.226460Z",
"structure_string": "Cd2 H2 Cl2 O2\n1.0\n3.707446 0.000000 0.000000\n-1.853723 3.210733 0.000000\n0.000000 0.000000 10.267161\nCd H Cl O\n2 2 2 2\ndirect\n0.666669 0.333335 0.508352 Cd\n0.333332 0.666664 0.008352 Cd\n0.000004 0.000007 0.683188 H\n0.999998 0.999992 0.183188 H\n0.666669 0.333336 0.841406 Cl\n0.333333 0.666664 0.341406 Cl\n0.000001 0.000003 0.587465 O\n1.000000 0.999996 0.087465 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"H",
"Cl",
"O"
],
"chemical_system": "Cd-Cl-H-O",
"density": 4.480173807286323,
"density_atomic": 0.06545767701303852,
"volume": 122.21637499305818,
"volume_molar": 9.200052667314255,
"formula_full": "Cd2 H2 Cl2 O2",
"formula_reduced": "CdHClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.5089593293749999,
"spacegroup": 186
},
{
"id": "jvasp-18647",
"created_at": "2022-09-04T14:37:01.156800Z",
"updated_at": "2022-09-04T14:37:01.156814Z",
"structure_string": "Cd1 Hg2\n1.0\n3.652836 0.000000 -1.528379\n-0.639488 3.596424 -1.528379\n0.193026 0.230376 5.590674\nCd Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.336071 0.336070 0.672141 Hg\n0.663931 0.663930 0.327859 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.218916978470654,
"density_atomic": 0.03946441657415265,
"volume": 76.01784747946482,
"volume_molar": 15.259672593118278,
"formula_full": "Cd1 Hg2",
"formula_reduced": "CdHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2164583333333332,
"spacegroup": 139
},
{
"id": "jvasp-25859",
"created_at": "2022-09-04T14:37:55.866269Z",
"updated_at": "2022-09-04T14:37:55.866292Z",
"structure_string": "Cd2 Hg4 Se2 O12\n1.0\n6.994555 0.010564 0.054941\n3.187031 6.551788 -0.019383\n2.858649 0.883143 6.969537\nCd Hg Se O\n2 4 2 12\ndirect\n0.332567 0.135549 0.212915 Cd\n0.667434 0.864450 0.787086 Cd\n0.841591 0.642138 0.209869 Hg\n0.158410 0.357861 0.790132 Hg\n0.660938 0.360623 0.791027 Hg\n0.339063 0.639376 0.208973 Hg\n0.796835 0.132142 0.311243 Se\n0.203165 0.867857 0.688757 Se\n0.853573 0.524668 0.748835 O\n0.365091 0.791619 0.831119 O\n0.549342 0.800618 0.136938 O\n0.223634 0.083650 0.546666 O\n0.146428 0.475332 0.251166 O\n0.450658 0.199381 0.863062 O\n0.776367 0.916349 0.453334 O\n0.938379 0.924024 0.836353 O\n0.720208 0.323251 0.434520 O\n0.634910 0.208380 0.168882 O\n0.279793 0.676748 0.565480 O\n0.061621 0.075975 0.163647 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Hg",
"Se",
"O"
],
"chemical_system": "Cd-Hg-O-Se",
"density": 7.181863569947531,
"density_atomic": 0.06281367608429932,
"volume": 318.40199852590905,
"volume_molar": 9.587308266941685,
"formula_full": "Cd2 Hg4 Se2 O12",
"formula_reduced": "CdHg2SeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.2018773316666669,
"spacegroup": 2
},
{
"id": "jvasp-57075",
"created_at": "2022-09-04T14:37:41.860507Z",
"updated_at": "2022-09-04T14:37:41.860528Z",
"structure_string": "Cd2 Hg4 S2 O12\n1.0\n6.863074 0.022566 0.051200\n3.292233 6.529179 -0.033359\n3.017050 0.928499 6.737465\nCd Hg S O\n2 4 2 12\ndirect\n0.671192 0.871237 0.775086 Cd\n0.328807 0.128764 0.224913 Cd\n0.162903 0.361718 0.779781 Hg\n0.334576 0.635228 0.220405 Hg\n0.665422 0.364774 0.779594 Hg\n0.837096 0.638283 0.220218 Hg\n0.207964 0.864834 0.699038 S\n0.792035 0.135167 0.300961 S\n0.682946 0.308442 0.418544 O\n0.142642 0.467192 0.273320 O\n0.199848 0.064395 0.566719 O\n0.857357 0.532809 0.726679 O\n0.800151 0.935606 0.433280 O\n0.967841 0.886023 0.830869 O\n0.341391 0.825891 0.830820 O\n0.545562 0.798483 0.136531 O\n0.317053 0.691559 0.581456 O\n0.032158 0.113978 0.169130 O\n0.454437 0.201518 0.863468 O\n0.658608 0.174110 0.169179 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Hg",
"S",
"O"
],
"chemical_system": "Cd-Hg-O-S",
"density": 7.085189498346855,
"density_atomic": 0.06649707611950599,
"volume": 300.7651037777476,
"volume_molar": 9.056248953228021,
"formula_full": "Cd2 Hg4 S2 O12",
"formula_reduced": "CdHg2SO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.2300729949999996,
"spacegroup": 2
},
{
"id": "jvasp-107905",
"created_at": "2022-09-04T14:37:50.091350Z",
"updated_at": "2022-09-04T14:37:50.091373Z",
"structure_string": "Cd1 Hg3\n1.0\n4.252899 0.204860 -4.523990\n-0.521454 4.225778 -4.523990\n-0.172531 -0.204860 6.206760\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.250000 0.500001 Hg\n0.250001 0.750000 0.500001 Hg\n0.500001 0.500000 0.000001 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.332682269460385,
"density_atomic": 0.038223928017480945,
"volume": 104.64649258890087,
"volume_molar": 15.754897710266446,
"formula_full": "Cd1 Hg3",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.00092,
"spacegroup": 139
},
{
"id": "jvasp-103593",
"created_at": "2022-09-04T14:36:35.701325Z",
"updated_at": "2022-09-04T14:36:35.701351Z",
"structure_string": "Cd2 Hg6\n1.0\n6.752628 0.000000 0.000000\n-3.376313 5.847948 0.000000\n-0.000000 0.000000 5.327964\nCd Hg\n2 6\ndirect\n0.333334 0.666667 0.749999 Cd\n0.666667 0.333333 0.250000 Cd\n0.168260 0.336520 0.250000 Hg\n0.663481 0.831741 0.250000 Hg\n0.168260 0.831741 0.250000 Hg\n0.831741 0.663480 0.749999 Hg\n0.336520 0.168259 0.749999 Hg\n0.831741 0.168259 0.749999 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.273266556558443,
"density_atomic": 0.038023525157939796,
"volume": 210.39606314170211,
"volume_molar": 15.837933844864725,
"formula_full": "Cd2 Hg6",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0015775,
"spacegroup": 194
},
{
"id": "jvasp-104841",
"created_at": "2022-09-04T14:36:40.891764Z",
"updated_at": "2022-09-04T14:36:40.891786Z",
"structure_string": "Cd1 Hg3\n1.0\n4.595493 -0.000000 2.653209\n1.531831 4.332672 2.653209\n-0.000000 -0.000000 5.306418\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750001 Hg\n0.500000 0.500000 0.500001 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.224526010275735,
"density_atomic": 0.03785912849628949,
"volume": 105.65483567304074,
"volume_molar": 15.906707309943018,
"formula_full": "Cd1 Hg3",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99732",
"created_at": "2022-09-04T14:36:33.552485Z",
"updated_at": "2022-09-04T14:36:33.552511Z",
"structure_string": "Cd1 Hg3 Te4\n1.0\n6.610067 0.000000 0.000000\n0.000000 6.610067 -0.000000\n-0.000000 0.000000 6.610067\nCd Hg Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.249093 0.249093 0.249093 Te\n0.750908 0.750908 0.249093 Te\n0.249093 0.750908 0.750908 Te\n0.750908 0.249093 0.750908 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"Te"
],
"chemical_system": "Cd-Hg-Te",
"density": 7.040751716012999,
"density_atomic": 0.027699530144396814,
"volume": 288.8135632011172,
"volume_molar": 21.740949137428547,
"formula_full": "Cd1 Hg3 Te4",
"formula_reduced": "CdHg3Te4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 215
},
{
"id": "jvasp-29441",
"created_at": "2022-09-04T14:37:58.790441Z",
"updated_at": "2022-09-04T14:37:58.790458Z",
"structure_string": "Cd1 Hg4 C6 S6 Br4 N6\n1.0\n6.041147 0.000000 1.723344\n3.020574 8.907436 0.861672\n-0.190088 0.000000 12.116587\nCd Hg C S Br N\n1 4 6 6 4 6\ndirect\n0.035630 -0.000000 -0.000000 Cd\n0.474105 0.685701 0.378656 Hg\n0.852760 0.685701 0.621344 Hg\n0.159805 0.314300 0.378656 Hg\n0.538461 0.314300 0.621344 Hg\n0.933429 0.736423 0.854755 C\n0.788183 0.736423 0.145244 C\n0.524608 0.263577 0.145245 C\n0.259626 -0.000000 0.228591 C\n0.488217 -0.000000 0.771409 C\n0.669852 0.263577 0.854755 C\n0.257747 0.385668 0.175348 S\n0.658757 -0.000000 0.642852 S\n0.301609 -0.000000 0.357148 S\n0.433096 0.385668 0.824652 S\n0.643414 0.614333 0.175348 S\n0.818763 0.614333 0.824652 S\n0.061211 0.307597 0.599449 Br\n0.368809 0.692403 0.599448 Br\n0.660660 0.307597 0.400551 Br\n0.968257 0.692403 0.400551 Br\n0.232623 -0.000000 0.136316 N\n0.015838 0.820210 0.879082 N\n0.836047 0.179791 0.879082 N\n0.715130 0.179791 0.120917 N\n0.368939 -0.000000 0.863684 N\n0.894920 0.820210 0.120917 N\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Cd",
"Hg",
"C",
"S",
"Br",
"N"
],
"chemical_system": "Br-C-Cd-Hg-N-S",
"density": 4.013338309655217,
"density_atomic": 0.041226081885737224,
"volume": 654.9252018378455,
"volume_molar": 14.60759908421821,
"formula_full": "Cd1 Hg4 C6 S6 Br4 N6",
"formula_reduced": "CdHg4C6S6(Br2N3)2",
"formula_anonymous": "AB4C4D6E6F6",
"energy_above_hull": 3.304246817407408,
"spacegroup": 42
},
{
"id": "jvasp-29582",
"created_at": "2022-09-04T14:38:01.779874Z",
"updated_at": "2022-09-04T14:38:01.779913Z",
"structure_string": "Cd4 Hg4 As4 Br4\n1.0\n4.775161 0.000000 0.000000\n0.000000 11.071190 -0.000000\n0.000000 -0.000000 9.617108\nCd Hg As Br\n4 4 4 4\ndirect\n0.000000 0.924757 0.713109 Cd\n0.000000 0.575243 0.713109 Cd\n0.000000 0.075243 0.286891 Cd\n0.000000 0.424757 0.286891 Cd\n0.500000 0.250000 0.731715 Hg\n0.500000 0.750000 0.268285 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.500000 0.020869 0.735428 As\n0.500000 0.979131 0.264572 As\n0.500000 0.479131 0.735428 As\n0.500000 0.520869 0.264572 As\n0.000000 0.250000 0.489586 Br\n0.000000 0.750000 0.510414 Br\n0.000000 0.750000 0.928719 Br\n0.000000 0.250000 0.071281 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"Hg",
"As",
"Br"
],
"chemical_system": "As-Br-Cd-Hg",
"density": 6.111772559333636,
"density_atomic": 0.031469740846828256,
"volume": 508.4249049865498,
"volume_molar": 19.13628964824143,
"formula_full": "Cd4 Hg4 As4 Br4",
"formula_reduced": "CdHgAsBr",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 51
},
{
"id": "jvasp-89320",
"created_at": "2022-09-04T14:36:00.612274Z",
"updated_at": "2022-09-04T14:36:00.612300Z",
"structure_string": "Cd1 Hg1 Se4 C4 N4\n1.0\n4.201857 0.001945 1.150782\n2.104255 8.342248 0.576433\n-0.098552 0.001100 8.621562\nCd Hg Se C N\n1 1 4 4 4\ndirect\n0.750145 0.499890 0.499744 Cd\n-0.000040 -0.000000 0.000049 Hg\n0.466089 0.007490 0.719127 Se\n0.816252 0.718865 0.992819 Se\n0.526563 0.281075 0.007494 Se\n0.190702 0.992791 0.281324 Se\n0.227061 0.184647 0.643139 C\n0.130642 0.643182 0.815338 C\n0.588313 0.356891 0.184632 C\n0.053986 0.815346 0.356867 C\n0.074761 0.300424 0.593333 N\n0.332260 0.593507 0.699353 N\n0.624824 0.406525 0.300415 N\n0.968458 0.699365 0.406357 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Cd",
"Hg",
"Se",
"C",
"N"
],
"chemical_system": "C-Cd-Hg-N-Se",
"density": 4.014976447310407,
"density_atomic": 0.046186062326020565,
"volume": 303.1217491800032,
"volume_molar": 13.038870292709955,
"formula_full": "Cd1 Hg1 Se4 C4 N4",
"formula_reduced": "CdHgC4(SeN)4",
"formula_anonymous": "ABC4D4E4",
"energy_above_hull": 4.147023629761905,
"spacegroup": 82
}
]
}