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=-nelements&page=556",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=554",
"results": [
{
"id": "jvasp-41730",
"created_at": "2022-09-04T14:37:27.771579Z",
"updated_at": "2022-09-04T14:37:27.771598Z",
"structure_string": "K2 Nd2 Ge2 S8\n1.0\n0.000000 6.629967 0.019602\n6.723758 0.000000 0.000000\n0.000000 -2.613391 -8.190989\nK Nd Ge S\n2 2 2 8\ndirect\n0.733211 0.990944 0.935352 K\n0.266790 0.490944 0.064648 K\n0.229615 0.503009 0.553394 Nd\n0.770386 0.003009 0.446606 Nd\n0.781214 0.473377 0.685025 Ge\n0.218786 0.973377 0.314976 Ge\n0.581998 0.469811 0.848172 S\n0.026584 0.232392 0.730751 S\n0.985979 0.744275 0.716297 S\n0.420476 0.919193 0.573663 S\n0.579525 0.419192 0.426338 S\n0.014022 0.244275 0.283703 S\n0.973416 0.732392 0.269250 S\n0.418003 0.969811 0.151828 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Nd",
"Ge",
"S"
],
"chemical_system": "Ge-K-Nd-S",
"density": 3.4980989693995195,
"density_atomic": 0.038377627425833186,
"volume": 364.79587038192363,
"volume_molar": 15.691800572190422,
"formula_full": "K2 Nd2 Ge2 S8",
"formula_reduced": "KNdGeS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.2867779214285715,
"spacegroup": 4
},
{
"id": "jvasp-103795",
"created_at": "2022-09-04T14:37:07.218343Z",
"updated_at": "2022-09-04T14:37:07.218371Z",
"structure_string": "H4 C7 S1 O2\n1.0\n3.844798 0.039566 -0.062460\n0.921259 5.084271 0.099564\n0.028018 -0.055922 7.578547\nH C S O\n4 7 1 2\ndirect\n0.776432 0.859267 0.966221 H\n0.795914 0.627901 0.267891 H\n0.842502 0.639886 0.617546 H\n0.367992 0.786814 0.905594 H\n0.674837 0.793209 0.348148 C\n0.697474 0.798346 0.534629 C\n0.516160 0.033572 0.601863 C\n0.463853 0.020284 0.277841 C\n0.499217 0.952719 0.939291 C\n0.474413 0.141382 0.780436 C\n0.325632 0.093426 0.099615 C\n0.310859 0.244034 0.438072 S\n0.403143 0.383136 0.795399 O\n0.058500 0.268544 0.081923 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7084531981212234,
"density_atomic": 0.09465676782681179,
"volume": 147.90278942985904,
"volume_molar": 6.362081548166081,
"formula_full": "H4 C7 S1 O2",
"formula_reduced": "H4C7SO2",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 5.218145499999999,
"spacegroup": 1
},
{
"id": "jvasp-11757",
"created_at": "2022-09-04T14:37:06.999483Z",
"updated_at": "2022-09-04T14:37:06.999502Z",
"structure_string": "Ca2 Fe1 W1 O6\n1.0\n4.816588 -0.000000 2.780859\n1.605529 4.541124 2.780859\n-0.000000 -0.000000 5.561717\nCa Fe W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250001 Ca\n0.750000 0.750000 0.750002 Ca\n0.500001 0.500000 0.499999 Fe\n0.000000 0.000000 0.000000 W\n0.245720 0.754282 0.754282 O\n0.245720 0.754282 0.245717 O\n0.754283 0.245718 0.754282 O\n0.245720 0.245718 0.754281 O\n0.754283 0.245718 0.245718 O\n0.754281 0.754282 0.245719 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"W",
"O"
],
"chemical_system": "Ca-Fe-O-W",
"density": 5.6762419283033765,
"density_atomic": 0.08220311085984504,
"volume": 121.64989737492827,
"volume_molar": 7.325928054313726,
"formula_full": "Ca2 Fe1 W1 O6",
"formula_reduced": "Ca2FeWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.736754734,
"spacegroup": 225
},
{
"id": "jvasp-28777",
"created_at": "2022-09-04T14:37:13.754265Z",
"updated_at": "2022-09-04T14:37:13.754293Z",
"structure_string": "Te4 Mo3 W1 S4\n1.0\n3.371081 0.000000 0.000000\n-1.685541 2.919442 -0.000010\n0.000000 -0.000390 35.765827\nTe Mo W S\n4 3 1 4\ndirect\n0.333517 0.667035 0.718875 Te\n0.666621 0.333241 0.407126 Te\n0.666715 0.333431 0.513486 Te\n0.333325 0.666652 0.613237 Te\n0.333278 0.666556 0.103211 Mo\n0.666634 0.333268 0.273306 Mo\n0.666753 0.333505 0.666109 Mo\n0.333338 0.666676 0.460324 W\n0.333199 0.666401 0.315562 S\n0.666619 0.333238 0.060940 S\n0.666600 0.333201 0.145512 S\n0.333397 0.666793 0.231060 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.2379331244665615,
"density_atomic": 0.03409132925056381,
"volume": 351.99566176497916,
"volume_molar": 17.664728517150454,
"formula_full": "Te4 Mo3 W1 S4",
"formula_reduced": "Te4Mo3WS4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.7369565638888886,
"spacegroup": 156
},
{
"id": "jvasp-9362",
"created_at": "2022-09-04T14:37:20.000270Z",
"updated_at": "2022-09-04T14:37:20.000294Z",
"structure_string": "Ba1 V4 Zn1 O8\n1.0\n2.700417 -4.677259 -0.000000\n2.700417 4.677259 -0.000000\n0.000000 0.000000 7.212213\nBa V Zn O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666668 0.742097 V\n0.666668 0.333334 0.742097 V\n0.333334 0.666668 0.257903 V\n0.666668 0.333334 0.257903 V\n0.000000 0.000000 0.500000 Zn\n0.318567 0.318567 0.677102 O\n0.681434 0.000000 0.677102 O\n0.000000 0.681434 0.677102 O\n0.681434 0.681434 0.322898 O\n0.000000 0.318567 0.322898 O\n0.318567 0.000000 0.322898 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"V",
"Zn",
"O"
],
"chemical_system": "Ba-O-V-Zn",
"density": 4.871623751808962,
"density_atomic": 0.07684351866129115,
"volume": 182.1884297322307,
"volume_molar": 7.836888347791874,
"formula_full": "Ba1 V4 Zn1 O8",
"formula_reduced": "BaV4ZnO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.9189057978571427,
"spacegroup": 162
},
{
"id": "jvasp-10852",
"created_at": "2022-09-04T14:37:07.006068Z",
"updated_at": "2022-09-04T14:37:07.006083Z",
"structure_string": "Ti1 Zn1 Bi2 O6\n1.0\n3.781591 0.000000 0.000000\n-0.000000 3.781591 0.000000\n0.000000 0.000000 9.701589\nTi Zn Bi O\n1 1 2 6\ndirect\n0.500000 0.500000 0.212447 Ti\n0.500000 0.500000 0.736263 Zn\n0.000000 0.000000 0.526715 Bi\n0.000000 0.000000 -0.003456 Bi\n0.500000 0.500000 0.389828 O\n0.500000 0.000000 0.652130 O\n0.000000 0.500000 0.152247 O\n0.000000 0.500000 0.652130 O\n0.500000 0.500000 0.938750 O\n0.500000 0.000000 0.152247 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ti",
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti-Zn",
"density": 7.5073411533175545,
"density_atomic": 0.07207887779894744,
"volume": 138.73689914947636,
"volume_molar": 8.35493135284071,
"formula_full": "Ti1 Zn1 Bi2 O6",
"formula_reduced": "TiZn(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.024111833333333,
"spacegroup": 99
},
{
"id": "jvasp-34459",
"created_at": "2022-09-04T14:37:13.741797Z",
"updated_at": "2022-09-04T14:37:13.741823Z",
"structure_string": "Ba4 Zn4 Cl2 F14\n1.0\n0.000000 7.706369 0.018865\n5.854690 0.000000 0.000000\n0.000000 -2.598905 -8.622901\nBa Zn Cl F\n4 4 2 14\ndirect\n0.331888 0.750000 0.588946 Ba\n0.702284 0.250000 0.926423 Ba\n0.297715 0.750000 0.073577 Ba\n0.668111 0.250000 0.411054 Ba\n0.185923 0.250000 0.828327 Zn\n0.826518 0.750000 0.732452 Zn\n0.814076 0.750000 0.171672 Zn\n0.173481 0.250000 0.267547 Zn\n0.117905 0.250000 0.530320 Cl\n0.882094 0.750000 0.469679 Cl\n0.373858 0.006230 0.840883 F\n0.626141 0.506230 0.159116 F\n0.638261 0.000656 0.653547 F\n0.638261 0.499344 0.653547 F\n0.373858 0.493770 0.840883 F\n0.361738 -0.000656 0.346452 F\n0.361738 0.500656 0.346452 F\n0.740990 0.750000 0.930606 F\n0.006344 0.501842 0.832212 F\n0.259009 0.250000 0.069393 F\n0.626141 0.993770 0.159116 F\n0.006344 0.998158 0.832212 F\n0.993655 0.001842 0.167788 F\n0.993655 0.498158 0.167788 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F-Zn",
"density": 4.902744008743624,
"density_atomic": 0.061734037527033415,
"volume": 388.76446384201535,
"volume_molar": 9.754976348927277,
"formula_full": "Ba4 Zn4 Cl2 F14",
"formula_reduced": "Ba2Zn2ClF7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 0.0,
"spacegroup": 11
},
{
"id": "jvasp-28466",
"created_at": "2022-09-04T14:37:07.015178Z",
"updated_at": "2022-09-04T14:37:07.015188Z",
"structure_string": "Mo1 W2 Se4 S2\n1.0\n3.281595 0.000000 -0.000000\n-1.640797 2.841859 -0.000000\n0.000000 -0.000000 20.016525\nMo W Se S\n1 2 4 2\ndirect\n0.665818 0.331638 0.346982 Mo\n0.333742 0.667487 0.027008 W\n0.333742 0.667487 0.666957 W\n0.667084 0.334171 -0.057896 Se\n0.667080 0.334162 0.582049 Se\n0.667080 0.334162 0.111916 Se\n0.667084 0.334171 0.751860 Se\n0.332480 0.664963 0.423871 S\n0.332480 0.664963 0.270094 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 7.504198775025768,
"density_atomic": 0.048213240077357146,
"volume": 186.67071504756134,
"volume_molar": 12.49063690873627,
"formula_full": "Mo1 W2 Se4 S2",
"formula_reduced": "MoW2(Se2S)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 4.030912151851852,
"spacegroup": 187
},
{
"id": "jvasp-49702",
"created_at": "2022-09-04T14:37:19.998027Z",
"updated_at": "2022-09-04T14:37:19.998061Z",
"structure_string": "Y6 Cu2 Si2 Se14\n1.0\n5.162776 -8.942191 -0.000000\n5.162776 8.942191 0.000000\n0.000000 0.000000 6.003361\nY Cu Si Se\n6 2 2 14\ndirect\n0.643716 0.867313 0.923412 Y\n0.132688 0.776402 0.923412 Y\n0.776402 0.643716 0.423413 Y\n0.356285 0.132688 0.423413 Y\n0.223598 0.356285 0.923412 Y\n0.867313 0.223599 0.423413 Y\n0.000000 0.000000 0.968324 Cu\n0.000000 0.000000 0.468324 Cu\n0.666667 0.333333 0.835166 Si\n0.333333 0.666667 0.335166 Si\n0.162846 0.262441 0.452096 Se\n0.837154 0.737560 0.952096 Se\n0.666667 0.333333 0.213268 Se\n0.521047 0.421591 0.679541 Se\n0.333333 0.666667 0.713268 Se\n0.900544 0.478954 0.679541 Se\n0.099457 0.521047 0.179541 Se\n0.421591 0.900544 0.179541 Se\n0.737560 0.900406 0.452096 Se\n0.900405 0.162847 0.952096 Se\n0.478954 0.578410 0.179541 Se\n0.262441 0.099595 0.952096 Se\n0.099595 0.837154 0.452096 Se\n0.578410 0.099457 0.679541 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Cu",
"Si",
"Se"
],
"chemical_system": "Cu-Se-Si-Y",
"density": 5.458567774247577,
"density_atomic": 0.04329717510989372,
"volume": 554.3086803950825,
"volume_molar": 13.908853740954331,
"formula_full": "Y6 Cu2 Si2 Se14",
"formula_reduced": "Y3CuSiSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.0375065805555552,
"spacegroup": 173
},
{
"id": "jvasp-34206",
"created_at": "2022-09-04T14:37:13.739683Z",
"updated_at": "2022-09-04T14:37:13.739712Z",
"structure_string": "Na3 S1 O4 F1\n1.0\n6.021570 0.710360 0.492397\n0.519628 6.054304 0.506906\n0.683866 0.716119 6.007494\nNa S O F\n3 1 4 1\ndirect\n0.401599 -0.009626 0.401762 Na\n0.402742 0.403178 -0.008622 Na\n-0.008018 0.403851 0.403607 Na\n0.503420 0.502379 0.503023 S\n0.648889 0.331694 0.649021 O\n0.329463 0.646710 0.646500 O\n0.647328 0.647653 0.330284 O\n0.385528 0.381548 0.384039 O\n0.167053 0.170608 0.168386 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"S",
"O",
"F"
],
"chemical_system": "F-Na-O-S",
"density": 1.4346984872170245,
"density_atomic": 0.042253694910938035,
"volume": 212.99912395756445,
"volume_molar": 14.252341180323794,
"formula_full": "Na3 S1 O4 F1",
"formula_reduced": "Na3SO4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.005646809166667,
"spacegroup": 160
},
{
"id": "jvasp-79586",
"created_at": "2022-09-04T14:37:13.722031Z",
"updated_at": "2022-09-04T14:37:13.722062Z",
"structure_string": "V1 Fe1 Co1 As1\n1.0\n-2.887966 -2.887966 0.000000\n-2.887966 -0.000000 -2.887966\n0.000000 -2.887966 -2.887966\nV Fe Co As\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 V\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 4,
"elements": [
"V",
"Fe",
"Co",
"As"
],
"chemical_system": "As-Co-Fe-V",
"density": 8.294935815785593,
"density_atomic": 0.08303358090736512,
"volume": 48.17328069305509,
"volume_molar": 7.252656930114203,
"formula_full": "V1 Fe1 Co1 As1",
"formula_reduced": "VFeCoAs",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.3295055875,
"spacegroup": 216
},
{
"id": "jvasp-7879",
"created_at": "2022-09-04T14:37:06.512857Z",
"updated_at": "2022-09-04T14:37:06.512877Z",
"structure_string": "Ba1 Dy2 Co1 O5\n1.0\n3.556929 -0.000028 -1.011480\n-0.706668 5.183334 -2.485799\n-0.007245 -0.007092 6.734557\nBa Dy Co O\n1 2 1 5\ndirect\n1.000000 -0.000000 0.000000 Ba\n0.796824 0.296826 0.593657 Dy\n0.203176 0.703173 0.406343 Dy\n0.499998 0.500000 -0.000000 Co\n0.650342 0.408961 0.300661 O\n0.349666 0.108276 0.699350 O\n0.349657 0.591039 0.699339 O\n0.650333 0.891723 0.300650 O\n0.000002 0.500000 -0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Dy",
"Co",
"O"
],
"chemical_system": "Ba-Co-Dy-O",
"density": 8.047972964139133,
"density_atomic": 0.07254702945471149,
"volume": 124.05745717842764,
"volume_molar": 8.301016327290707,
"formula_full": "Ba1 Dy2 Co1 O5",
"formula_reduced": "BaDy2CoO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.0245052633333334,
"spacegroup": 71
}
]
}