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=created_at&page=3552",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3550",
"results": [
{
"id": "jvasp-36052",
"created_at": "2022-09-04T14:38:12.788939Z",
"updated_at": "2022-09-04T14:38:12.788960Z",
"structure_string": "Sm2 Co12 P7\n1.0\n0.000000 9.074819 0.001330\n3.620459 0.000000 0.000000\n0.000000 -4.536218 -7.859703\nSm Co P\n2 12 7\ndirect\n0.333331 0.500000 0.666669 Sm\n0.666672 0.000000 0.333335 Sm\n0.765829 0.500000 0.869614 Co\n0.130391 0.500000 0.896218 Co\n0.103788 0.500000 0.234170 Co\n0.880724 0.000000 0.728864 Co\n0.271141 0.000000 0.151865 Co\n0.848137 0.000000 0.119271 Co\n0.947565 0.500000 0.566115 Co\n0.433886 0.500000 0.381448 Co\n0.566154 0.000000 0.625605 Co\n0.374387 0.000000 0.940553 Co\n0.059448 0.000000 0.433836 Co\n0.618547 0.500000 0.052430 Co\n0.109615 0.000000 0.706284 P\n0.399011 0.500000 0.107213 P\n0.708199 0.500000 0.600994 P\n0.892792 0.500000 0.291795 P\n0.000002 0.000000 0.000001 P\n0.293715 0.000000 0.403338 P\n0.596661 0.000000 0.890378 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sm",
"Co",
"P"
],
"chemical_system": "Co-P-Sm",
"density": 7.87626114819978,
"density_atomic": 0.08132953534560948,
"volume": 258.20877877588504,
"volume_molar": 7.404617196457524,
"formula_full": "Sm2 Co12 P7",
"formula_reduced": "Sm2Co12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 3.786387002380952,
"spacegroup": 174
},
{
"id": "jvasp-18088",
"created_at": "2022-09-04T14:38:12.790117Z",
"updated_at": "2022-09-04T14:38:12.790148Z",
"structure_string": "Dy1 Fe2 Ge2\n1.0\n3.783230 -0.000000 -1.339768\n-0.474457 3.753362 -1.339768\n-0.104717 -0.118788 5.715718\nDy Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.249999 0.749999 0.499999 Fe\n0.749999 0.250000 0.500000 Fe\n0.631269 0.631270 0.262540 Ge\n0.368729 0.368729 0.737459 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"Ge"
],
"chemical_system": "Dy-Fe-Ge",
"density": 8.711397465025811,
"density_atomic": 0.06253279348799927,
"volume": 79.95804634826614,
"volume_molar": 9.630372200077254,
"formula_full": "Dy1 Fe2 Ge2",
"formula_reduced": "Dy(FeGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.00753188,
"spacegroup": 139
},
{
"id": "jvasp-34982",
"created_at": "2022-09-04T14:38:12.794977Z",
"updated_at": "2022-09-04T14:38:12.795004Z",
"structure_string": "Dy4 Mg8\n1.0\n3.011830 -5.216642 0.000000\n3.011830 5.216642 -0.000000\n-0.000000 0.000000 9.717888\nDy Mg\n4 8\ndirect\n0.333333 0.666667 0.435188 Dy\n0.666667 0.333333 0.935188 Dy\n0.666667 0.333333 0.564812 Dy\n0.333333 0.666667 0.064812 Dy\n0.657811 0.828905 0.750000 Mg\n0.828905 0.657811 0.250000 Mg\n0.828905 0.171095 0.250000 Mg\n0.171095 0.828905 0.750000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.342189 0.171095 0.250000 Mg\n0.171095 0.342189 0.750000 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Dy",
"Mg"
],
"chemical_system": "Dy-Mg",
"density": 4.591922196248687,
"density_atomic": 0.03929686206385433,
"volume": 305.367893764671,
"volume_molar": 15.324736998629794,
"formula_full": "Dy4 Mg8",
"formula_reduced": "DyMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1636140555555556,
"spacegroup": 194
},
{
"id": "jvasp-108129",
"created_at": "2022-09-04T14:38:12.796859Z",
"updated_at": "2022-09-04T14:38:12.796871Z",
"structure_string": "Dy2 Ge3\n1.0\n4.356087 0.000000 0.000000\n-2.178044 3.772482 0.000000\n-0.000000 -0.000000 7.148539\nDy Ge\n2 3\ndirect\n0.000000 0.000000 0.729404 Dy\n0.000000 0.000000 0.270596 Dy\n0.333334 0.666666 -0.000000 Ge\n0.666667 0.333333 0.500000 Ge\n0.666667 0.333333 -0.000000 Ge\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Dy",
"Ge"
],
"chemical_system": "Dy-Ge",
"density": 7.674391064808968,
"density_atomic": 0.04256268258264315,
"volume": 117.47379856266332,
"volume_molar": 14.148875011124883,
"formula_full": "Dy2 Ge3",
"formula_reduced": "Dy2Ge3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.00568617,
"spacegroup": 187
},
{
"id": "jvasp-28760",
"created_at": "2022-09-04T14:38:12.797590Z",
"updated_at": "2022-09-04T14:38:12.797601Z",
"structure_string": "Te2 Mo2 W2 S6\n1.0\n3.280338 -0.000000 -0.000000\n-1.640170 2.840941 0.000167\n-0.000000 0.002182 39.405945\nTe Mo W S\n2 2 2 6\ndirect\n0.666751 0.333501 0.419839 Te\n0.666484 0.332966 0.518439 Te\n0.333211 0.666420 0.093523 Mo\n0.666759 0.333517 0.280500 Mo\n0.333275 0.666550 0.469123 W\n0.666768 0.333536 0.659827 W\n0.333352 0.666706 0.319507 S\n0.333338 0.666679 0.698880 S\n0.666547 0.333093 0.054556 S\n0.666531 0.333062 0.132505 S\n0.333503 0.667007 0.241471 S\n0.333480 0.666961 0.620578 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 4.554080463839025,
"density_atomic": 0.032676737639972954,
"volume": 367.2337224178886,
"volume_molar": 18.429443068494106,
"formula_full": "Te2 Mo2 W2 S6",
"formula_reduced": "TeMoWS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.698693944444444,
"spacegroup": 156
},
{
"id": "jvasp-108750",
"created_at": "2022-09-04T14:38:12.804532Z",
"updated_at": "2022-09-04T14:38:12.804565Z",
"structure_string": "Mo1 Cl2 O1\n1.0\n3.591869 0.174144 -5.731945\n-0.267545 3.252295 -5.927735\n0.029027 -0.174144 6.764309\nMo Cl O\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.852623 0.352621 0.500001 Cl\n0.147379 0.647377 0.500001 Cl\n0.500001 0.000000 0.500001 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O",
"density": 4.001824963014109,
"density_atomic": 0.0527211583829422,
"volume": 75.87086708045834,
"volume_molar": 11.42262602854426,
"formula_full": "Mo1 Cl2 O1",
"formula_reduced": "MoCl2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.79854438375,
"spacegroup": 71
},
{
"id": "jvasp-51718",
"created_at": "2022-09-04T14:38:12.805750Z",
"updated_at": "2022-09-04T14:38:12.805783Z",
"structure_string": "Sr2 H8 Cl4 O4\n1.0\n5.712369 3.200961 -1.671677\n-5.712369 3.200961 1.671677\n-0.141990 0.000000 6.632265\nSr H Cl O\n2 8 4 4\ndirect\n0.736960 0.736960 0.750001 Sr\n0.263040 0.263040 0.250000 Sr\n0.742692 0.360405 0.571435 H\n0.257308 0.639595 0.428566 H\n0.639595 0.257308 0.071434 H\n0.360405 0.742692 0.928566 H\n0.576063 0.819269 0.116626 H\n0.180730 0.423937 0.616627 H\n0.423937 0.180730 0.883375 H\n0.819269 0.576063 0.383374 H\n0.054267 0.763199 0.163505 Cl\n0.763199 0.054267 0.336496 Cl\n0.945733 0.236800 0.836496 Cl\n0.236800 0.945733 0.663505 Cl\n0.472669 0.693748 0.021563 O\n0.527330 0.306252 0.978438 O\n0.306252 0.527330 0.521563 O\n0.693748 0.472669 0.478438 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sr",
"density": 2.680809487607424,
"density_atomic": 0.07468157784875015,
"volume": 241.02329541637076,
"volume_molar": 8.063756730202487,
"formula_full": "Sr2 H8 Cl4 O4",
"formula_reduced": "SrH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.763764605,
"spacegroup": 15
},
{
"id": "jvasp-52433",
"created_at": "2022-09-04T14:38:12.807303Z",
"updated_at": "2022-09-04T14:38:12.807334Z",
"structure_string": "Al4 C3\n1.0\n4.644823 0.297689 0.274447\n-2.016657 3.659361 0.145288\n-1.720253 -0.875544 4.648423\nAl C\n4 3\ndirect\n0.124629 0.468913 0.006100 Al\n0.210020 0.080903 0.633632 Al\n0.564784 0.174070 0.227693 Al\n0.579969 0.741560 0.672156 Al\n0.040889 0.915235 0.978208 C\n0.609314 0.681544 0.280818 C\n0.919068 -0.011953 0.218280 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.828005565977035,
"density_atomic": 0.08281187741314973,
"volume": 84.52893737787024,
"volume_molar": 7.272073702610856,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.107223028571429,
"spacegroup": 1
},
{
"id": "jvasp-43018",
"created_at": "2022-09-04T14:38:12.808871Z",
"updated_at": "2022-09-04T14:38:12.808895Z",
"structure_string": "V4 O6 F2\n1.0\n-0.143821 4.662676 2.907350\n-0.143821 4.662676 -2.907350\n-4.662676 0.143821 -2.907350\nV O F\n4 6 2\ndirect\n0.787445 0.750001 0.537444 V\n0.212557 0.250000 0.462557 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500001 -0.000000 V\n0.056728 0.750000 0.806728 O\n0.000000 0.301767 0.698233 O\n0.500001 0.801768 0.698233 O\n0.500000 0.198233 0.301768 O\n0.000000 0.698233 0.301768 O\n0.943273 0.250001 0.193273 O\n0.543959 0.250000 0.793959 F\n0.456042 0.750001 0.206041 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.440909250395335,
"density_atomic": 0.09501602364319936,
"volume": 126.29448739153676,
"volume_molar": 6.338026502365664,
"formula_full": "V4 O6 F2",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.480113197083334,
"spacegroup": 74
},
{
"id": "jvasp-12804",
"created_at": "2022-09-04T14:38:12.808970Z",
"updated_at": "2022-09-04T14:38:12.808990Z",
"structure_string": "Y2 Cu4 O8\n1.0\n5.083312 0.106007 -2.518525\n-1.367692 4.878045 -2.554849\n-0.057230 -0.029490 6.274569\nY Cu O\n2 4 8\ndirect\n0.874997 0.124998 0.749996 Y\n0.125003 0.875003 0.250004 Y\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.500001 -0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500001 0.500000 Cu\n0.719702 0.529799 0.854478 O\n0.134777 0.824681 0.854478 O\n0.280298 0.470203 0.145522 O\n0.865224 0.175321 0.145522 O\n0.529801 0.134773 0.354473 O\n0.824673 0.719703 0.354473 O\n0.175327 0.280299 0.645527 O\n0.470200 0.865229 0.645527 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Y",
"density": 5.986690359061659,
"density_atomic": 0.0901331947675732,
"volume": 155.32568257567982,
"volume_molar": 6.681379457955881,
"formula_full": "Y2 Cu4 O8",
"formula_reduced": "Y(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6381986214285715,
"spacegroup": 88
},
{
"id": "jvasp-109126",
"created_at": "2022-09-04T14:38:12.813495Z",
"updated_at": "2022-09-04T14:38:12.813522Z",
"structure_string": "Zn1 Cd1 Se2\n1.0\n4.035668 0.008968 6.128523\n1.843280 3.590127 6.128523\n0.014648 0.008968 7.337928\nZn Cd Se\n1 1 2\ndirect\n0.499463 0.499464 0.499462 Zn\n0.001880 0.001880 0.001880 Cd\n0.130213 0.130213 0.130212 Se\n0.618444 0.618446 0.618443 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cd",
"Se"
],
"chemical_system": "Cd-Se-Zn",
"density": 5.2718199147826255,
"density_atomic": 0.037824080060956076,
"volume": 105.75273723918012,
"volume_molar": 15.921446735240911,
"formula_full": "Zn1 Cd1 Se2",
"formula_reduced": "ZnCdSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-44252",
"created_at": "2022-09-04T14:38:12.814936Z",
"updated_at": "2022-09-04T14:38:12.814956Z",
"structure_string": "V4 O5 F7\n1.0\n-5.031868 0.019313 0.751856\n2.333219 4.459091 -1.502335\n1.121736 -0.422080 -8.764206\nV O F\n4 5 7\ndirect\n0.749523 0.224324 0.266770 V\n0.543704 0.514552 0.500695 V\n0.215945 0.745872 0.760065 V\n-0.023785 0.005916 0.004039 V\n0.717363 0.883342 0.378980 O\n0.834490 0.160403 0.081436 O\n0.838479 0.589067 0.670920 O\n0.180509 0.832256 0.917619 O\n0.669994 0.343575 0.414267 O\n0.327190 0.661532 0.581595 F\n0.320670 0.064798 0.175050 F\n0.765185 0.611503 0.114534 F\n0.175473 0.436881 0.323960 F\n0.276689 0.123019 0.619797 F\n0.232257 0.375153 0.873817 F\n0.676303 0.927803 0.816455 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.5362035681294817,
"density_atomic": 0.0817580708941342,
"volume": 195.69933371737534,
"volume_molar": 7.365805839276552,
"formula_full": "V4 O5 F7",
"formula_reduced": "V4O5F7",
"formula_anonymous": "A4B5C7",
"energy_above_hull": 2.04561539234375,
"spacegroup": 1
}
]
}