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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=634",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=632",
"results": [
{
"id": "jvasp-101216",
"created_at": "2022-09-04T14:36:45.338702Z",
"updated_at": "2022-09-04T14:36:45.338719Z",
"structure_string": "Cd1 In1 As1 Se1\n1.0\n4.188443 0.005838 6.338534\n1.909387 3.727913 6.338534\n0.009534 0.005838 7.597367\nCd In As Se\n1 1 1 1\ndirect\n0.002572 0.002572 0.002572 Cd\n0.498294 0.498295 0.498294 In\n0.125792 0.125792 0.125792 As\n0.623341 0.623342 0.623342 Se\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Cd",
"In",
"As",
"Se"
],
"chemical_system": "As-Cd-In-Se",
"density": 5.352581845507833,
"density_atomic": 0.03383165024977854,
"volume": 118.23248261518616,
"volume_molar": 17.8003163178226,
"formula_full": "Cd1 In1 As1 Se1",
"formula_reduced": "CdInAsSe",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.2289287091666666,
"spacegroup": 160
},
{
"id": "jvasp-106373",
"created_at": "2022-09-04T14:38:39.029642Z",
"updated_at": "2022-09-04T14:38:39.029651Z",
"structure_string": "Cd1 In1 Ag1 Te3\n1.0\n7.297240 -0.011318 3.274498\n5.836117 4.380591 3.274498\n0.004193 0.001395 6.549384\nCd In Ag Te\n1 1 1 3\ndirect\n0.664553 0.664551 0.336109 Cd\n0.335384 0.335382 0.652533 In\n-0.000473 -0.000473 0.011552 Ag\n0.500921 0.500919 0.241421 Te\n0.162952 0.162950 0.592697 Te\n0.836672 0.836669 0.915687 Te\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ag",
"Te"
],
"chemical_system": "Ag-Cd-In-Te",
"density": 5.6841006466069794,
"density_atomic": 0.028608932476435544,
"volume": 209.72470765702457,
"volume_molar": 21.049861839340863,
"formula_full": "Cd1 In1 Ag1 Te3",
"formula_reduced": "CdInAgTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-111096",
"created_at": "2022-09-04T14:38:38.191080Z",
"updated_at": "2022-09-04T14:38:38.191103Z",
"structure_string": "Cd2 In1 Ag1 S4\n1.0\n7.091648 0.002711 3.491015\n5.873652 3.973875 3.491015\n-0.037354 -0.011457 7.218946\nCd In Ag S\n2 1 1 4\ndirect\n0.494739 0.494738 0.175433 Cd\n0.004407 0.004406 0.648309 Cd\n0.753155 0.753152 0.599658 In\n0.246886 0.246885 0.072776 Ag\n0.061099 0.061098 0.263274 S\n0.566816 0.566813 0.770498 S\n0.817878 0.817874 0.855153 S\n0.302822 0.302820 0.366897 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ag",
"S"
],
"chemical_system": "Ag-Cd-In-S",
"density": 4.689198076546875,
"density_atomic": 0.0392366384642227,
"volume": 203.8910649110441,
"volume_molar": 15.348258657507557,
"formula_full": "Cd2 In1 Ag1 S4",
"formula_reduced": "Cd2InAgS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.37071209125,
"spacegroup": 8
},
{
"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-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-99221",
"created_at": "2022-09-04T14:36:41.110565Z",
"updated_at": "2022-09-04T14:36:41.110586Z",
"structure_string": "Cd4 H8 Se4 O16\n1.0\n12.986013 0.000000 0.000000\n0.000000 5.969852 0.000000\n0.000000 -0.000000 5.042563\nCd H Se O\n4 8 4 16\ndirect\n0.774368 0.250000 0.085226 Cd\n0.274368 0.250000 0.414774 Cd\n0.225632 0.750000 0.914774 Cd\n0.725632 0.750000 0.585225 Cd\n0.891882 0.118179 0.537017 H\n0.391882 0.381821 0.962982 H\n0.108118 0.618179 0.462982 H\n0.608117 0.881821 0.037017 H\n0.108118 0.881821 0.462982 H\n0.608117 0.618179 0.037017 H\n0.891882 0.381821 0.537017 H\n0.391882 0.118179 0.962982 H\n0.086228 0.250000 0.005261 Se\n0.586228 0.250000 0.494738 Se\n0.913772 0.750000 -0.005261 Se\n0.413772 0.750000 0.505261 Se\n0.398453 0.250000 0.082412 O\n0.898453 0.250000 0.417588 O\n0.345189 0.531119 0.661076 O\n0.845189 0.968880 0.838923 O\n0.654811 0.031120 0.338924 O\n0.154811 0.468880 0.161076 O\n0.654811 0.468880 0.338924 O\n0.154811 0.031120 0.161076 O\n0.845189 0.531119 0.838923 O\n0.867695 0.750000 0.306381 O\n0.367695 0.750000 0.193618 O\n0.132305 0.250000 0.693618 O\n0.632305 0.250000 0.806381 O\n0.101547 0.750000 0.582412 O\n0.345189 0.968880 0.661076 O\n0.601547 0.750000 0.917588 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Cd",
"H",
"Se",
"O"
],
"chemical_system": "Cd-H-O-Se",
"density": 4.373213841117909,
"density_atomic": 0.08185764529048069,
"volume": 390.9225569150511,
"volume_molar": 7.35684582500484,
"formula_full": "Cd4 H8 Se4 O16",
"formula_reduced": "CdH2SeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.9487446395833328,
"spacegroup": 62
},
{
"id": "jvasp-98439",
"created_at": "2022-09-04T14:35:47.797256Z",
"updated_at": "2022-09-04T14:35:47.797288Z",
"structure_string": "Cd4 H16 S8 O20\n1.0\n5.517400 0.000000 -1.127211\n0.000000 7.148273 0.000000\n-0.074108 0.000000 14.134374\nCd H S O\n4 16 8 20\ndirect\n0.445463 0.169406 0.818086 Cd\n0.945463 0.330593 0.318086 Cd\n0.554536 0.830593 0.181914 Cd\n0.054536 0.669406 0.681913 Cd\n0.465338 0.635311 0.582634 H\n0.965338 0.864689 0.082634 H\n0.534661 0.364689 0.417366 H\n0.034661 0.135311 0.917366 H\n0.700920 0.858879 0.536468 H\n0.200920 0.641121 0.036469 H\n0.299079 0.141121 0.463531 H\n0.799079 0.358879 0.963531 H\n0.221968 0.624853 0.505090 H\n0.721968 0.875147 0.005090 H\n0.778031 0.375147 0.494910 H\n0.278031 0.124853 0.994909 H\n0.728974 0.661671 0.483398 H\n0.228973 0.838328 0.983398 H\n0.271026 0.338328 0.516602 H\n0.771026 0.161671 0.016602 H\n0.855498 0.177508 0.658987 S\n0.355499 0.322492 0.158987 S\n0.144501 0.822491 0.341013 S\n0.644501 0.677508 0.841013 S\n0.177722 0.026605 0.664562 S\n0.677723 0.473394 0.164562 S\n0.822277 0.973394 0.335438 S\n0.322277 0.526605 0.835438 S\n0.702390 0.415482 0.428193 O\n0.202390 0.084518 0.928193 O\n0.738806 0.724372 0.546258 O\n0.238806 0.775628 0.046258 O\n0.261193 0.275628 0.453742 O\n0.761193 0.224372 0.953742 O\n0.903690 0.363824 0.619588 O\n0.403690 0.136176 0.119588 O\n0.096310 0.636176 0.380412 O\n0.596310 0.863823 0.880411 O\n0.810108 0.195777 0.757854 O\n0.310108 0.304223 0.257854 O\n0.189892 0.804223 0.242146 O\n0.689892 0.695777 0.742146 O\n0.664384 0.079331 0.591559 O\n0.164385 0.420669 0.091559 O\n0.335615 0.920669 0.408440 O\n0.835615 0.579330 0.908440 O\n0.797610 0.915482 0.071807 O\n0.297610 0.584518 0.571806 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Cd",
"H",
"S",
"O"
],
"chemical_system": "Cd-H-O-S",
"density": 3.108038398434086,
"density_atomic": 0.08619746848286572,
"volume": 556.8609014259092,
"volume_molar": 6.986447358598563,
"formula_full": "Cd4 H16 S8 O20",
"formula_reduced": "CdH4S2O5",
"formula_anonymous": "AB2C4D5",
"energy_above_hull": 2.377052270833333,
"spacegroup": 14
},
{
"id": "jvasp-51394",
"created_at": "2022-09-04T14:37:00.743700Z",
"updated_at": "2022-09-04T14:37:00.743728Z",
"structure_string": "Cd4 H4 S2 O12\n1.0\n5.248047 3.871034 -2.627127\n-5.248047 3.871034 2.627127\n-0.043797 0.000000 6.529960\nCd H S O\n4 4 2 12\ndirect\n0.852173 0.342791 0.815193 Cd\n0.342790 0.852174 0.684807 Cd\n0.147826 0.657209 0.184807 Cd\n0.657209 0.147826 0.315193 Cd\n0.767456 0.941654 0.815754 H\n0.941653 0.767456 0.684245 H\n0.232543 0.058346 0.184245 H\n0.058345 0.232543 0.315755 H\n0.317417 0.317417 0.750000 S\n0.682582 0.682582 0.250000 S\n0.043211 0.686798 0.795945 O\n0.686798 0.043211 0.704055 O\n0.751586 0.830482 0.394024 O\n0.830482 0.751586 0.105976 O\n0.248413 0.169517 0.605976 O\n0.319321 0.538164 0.595871 O\n0.461835 0.680678 0.095871 O\n0.680678 0.461835 0.404128 O\n0.538164 0.319321 0.904128 O\n0.313201 0.956788 0.295945 O\n0.169517 0.248413 0.894024 O\n0.956788 0.313201 0.204055 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cd",
"H",
"S",
"O"
],
"chemical_system": "Cd-H-O-S",
"density": 4.45737932358562,
"density_atomic": 0.0831989918048997,
"volume": 264.42628116924357,
"volume_molar": 7.238237662929646,
"formula_full": "Cd4 H4 S2 O12",
"formula_reduced": "Cd2H2SO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.8284154999999995,
"spacegroup": 15
},
{
"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-103966",
"created_at": "2022-09-04T14:37:17.491533Z",
"updated_at": "2022-09-04T14:37:17.491555Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.686276 0.016206 -0.219024\n-1.301730 5.228877 -1.039271\n-0.046054 0.191491 6.127223\nCd H C O\n1 6 5 4\ndirect\n0.310235 0.736038 0.794859 Cd\n0.566733 -0.002472 0.316638 H\n0.684641 0.244077 0.542972 H\n0.167767 0.162018 0.259339 H\n0.004949 0.236690 0.928495 H\n0.085299 0.451855 0.365273 H\n0.652743 0.102020 0.005468 H\n0.882747 0.930938 0.543139 C\n0.764418 0.111646 0.420107 C\n0.986495 0.255967 0.280971 C\n0.845885 0.262578 0.049466 C\n0.751695 0.502518 0.019270 C\n0.713103 0.730543 0.583289 O\n0.159918 0.992296 0.605079 O\n0.941003 0.711673 0.036493 O\n0.475699 0.475419 0.968584 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.6632381619856975,
"density_atomic": 0.10581608866958714,
"volume": 151.20574008325258,
"volume_molar": 5.691139065633258,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.124740234375,
"spacegroup": 1
},
{
"id": "jvasp-103957",
"created_at": "2022-09-04T14:36:57.620850Z",
"updated_at": "2022-09-04T14:36:57.620881Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729745 0.077944 0.213684\n0.675204 4.112522 0.465287\n0.131566 0.031596 6.480605\nCd H C O\n1 2 3 4\ndirect\n0.267528 0.674722 0.501601 Cd\n0.085709 0.870299 0.026024 H\n0.648329 0.889046 0.952280 H\n0.666477 0.176425 0.192871 C\n0.895225 0.265397 0.797987 C\n0.834432 0.044709 0.993332 C\n0.697855 0.543876 0.756591 O\n0.163540 0.160853 0.672409 O\n0.445990 0.445106 0.193259 O\n0.740119 -0.016354 0.361073 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.600685038982674,
"density_atomic": 0.10111059378394087,
"volume": 98.90160492350184,
"volume_molar": 5.955993862392372,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.6237533750000006,
"spacegroup": 1
}
]
}