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=-nsites&page=528",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=526",
"results": [
{
"id": "jvasp-29949",
"created_at": "2022-09-04T14:38:16.961723Z",
"updated_at": "2022-09-04T14:38:16.961742Z",
"structure_string": "Sn3 P4 O14\n1.0\n5.528216 0.024170 0.439559\n2.929194 6.522867 -0.179817\n0.313431 0.910077 9.006561\nSn P O\n3 4 14\ndirect\n0.762267 0.396010 0.327977 Sn\n0.237733 0.603991 0.672023 Sn\n0.000000 0.000000 0.000000 Sn\n0.654555 0.692104 0.958133 P\n0.884080 0.347121 0.715441 P\n0.115920 0.652880 0.284558 P\n0.345444 0.307896 0.041867 P\n0.863700 0.652861 0.370239 O\n0.348635 0.410320 0.891407 O\n0.651365 0.589681 0.108592 O\n0.136299 0.347140 0.629761 O\n0.658774 0.408897 0.613018 O\n0.829140 0.814254 0.934753 O\n0.797265 0.521108 0.834911 O\n0.074644 0.858002 0.202995 O\n0.202734 0.478893 0.165089 O\n0.170859 0.185747 0.065247 O\n0.624788 0.183693 0.095710 O\n0.925356 0.141999 0.797005 O\n0.341226 0.591104 0.386981 O\n0.375212 0.816307 0.904290 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sn",
"P",
"O"
],
"chemical_system": "O-P-Sn",
"density": 3.5935992771856293,
"density_atomic": 0.06455307211488294,
"volume": 325.3137195798676,
"volume_molar": 9.328976240329196,
"formula_full": "Sn3 P4 O14",
"formula_reduced": "Sn3(P2O7)2",
"formula_anonymous": "A3B4C14",
"energy_above_hull": 2.735245528571429,
"spacegroup": 2
},
{
"id": "jvasp-21914",
"created_at": "2022-09-04T14:38:17.051264Z",
"updated_at": "2022-09-04T14:38:17.051291Z",
"structure_string": "Sc5 Si7 Pt9\n1.0\n5.024435 -8.702577 0.000000\n5.024435 8.702577 -0.000000\n-0.000000 -0.000000 3.913793\nSc Si Pt\n5 7 9\ndirect\n0.333333 0.666668 0.000000 Sc\n0.666668 0.333333 0.500000 Sc\n0.229873 0.125143 0.500000 Sc\n0.895270 0.770128 0.500000 Sc\n0.874858 0.104731 0.500000 Sc\n0.000000 0.000000 0.000000 Si\n0.683358 0.572121 0.000000 Si\n0.888764 0.316643 0.000000 Si\n0.427880 0.111237 0.000000 Si\n0.144678 0.717363 0.500000 Si\n0.572687 0.855323 0.500000 Si\n0.282637 0.427314 0.500000 Si\n0.159700 0.876078 0.000000 Pt\n0.549476 0.602062 0.500000 Pt\n0.397939 0.947414 0.500000 Pt\n0.052587 0.450524 0.500000 Pt\n0.651916 0.086289 0.000000 Pt\n0.913712 0.565627 0.000000 Pt\n0.434374 0.348085 0.000000 Pt\n0.716379 0.840301 0.000000 Pt\n0.123923 0.283622 0.000000 Pt\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Pt"
],
"chemical_system": "Pt-Sc-Si",
"density": 10.562611707552248,
"density_atomic": 0.06135590129345546,
"volume": 342.26536579685074,
"volume_molar": 9.81509623857869,
"formula_full": "Sc5 Si7 Pt9",
"formula_reduced": "Sc5Si7Pt9",
"formula_anonymous": "A5B7C9",
"energy_above_hull": 3.485015669047619,
"spacegroup": 174
},
{
"id": "jvasp-21638",
"created_at": "2022-09-04T14:38:28.865975Z",
"updated_at": "2022-09-04T14:38:28.865994Z",
"structure_string": "Mg2 Co12 P7\n1.0\n4.495139 -7.785808 -0.000000\n4.495139 7.785808 -0.000000\n0.000000 0.000000 3.473781\nMg Co P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.557286 0.939270 0.500000 Co\n0.443024 0.066398 0.000000 Co\n0.623374 0.556976 0.000000 Co\n0.153327 0.273748 0.000000 Co\n0.120421 0.846673 0.000000 Co\n0.933602 0.376626 0.000000 Co\n0.894406 0.135188 0.500000 Co\n0.864812 0.759217 0.500000 Co\n0.240783 0.105595 0.500000 Co\n0.060730 0.618016 0.500000 Co\n0.381984 0.442714 0.500000 Co\n0.726252 0.879580 0.000000 Co\n0.407280 0.290767 0.000000 P\n0.593763 0.708039 0.500000 P\n0.291961 0.885724 0.500000 P\n0.114276 0.406237 0.500000 P\n0.709233 0.116513 0.000000 P\n0.883487 0.592720 0.000000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Mg",
"Co",
"P"
],
"chemical_system": "Co-Mg-P",
"density": 6.642248719491447,
"density_atomic": 0.08636545160030994,
"volume": 243.15278402277974,
"volume_molar": 6.972858531290757,
"formula_full": "Mg2 Co12 P7",
"formula_reduced": "Mg2Co12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 3.506074161904762,
"spacegroup": 174
},
{
"id": "jvasp-40683",
"created_at": "2022-09-04T14:38:06.108048Z",
"updated_at": "2022-09-04T14:38:06.108080Z",
"structure_string": "Li3 Mn3 P3 O12\n1.0\n2.628424 -4.552564 -0.000000\n2.628424 4.552564 0.000000\n-0.000000 -0.000000 13.220785\nLi Mn P O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.166667 Li\n0.499999 0.499999 0.333333 Mn\n-0.000000 0.499999 0.666667 Mn\n0.499999 -0.000000 0.000000 Mn\n0.499999 0.499999 0.833333 P\n-0.000000 0.499999 0.166667 P\n0.499999 -0.000000 0.500000 P\n0.181049 0.403533 0.232257 O\n0.222484 0.403533 0.767743 O\n0.181049 0.777515 0.101076 O\n0.222484 0.818950 0.565590 O\n0.818950 0.222484 0.101076 O\n0.403533 0.181049 0.434410 O\n0.818949 0.596466 0.232257 O\n0.777515 0.596466 0.767743 O\n0.596466 0.777515 0.898924 O\n0.403533 0.222484 0.898924 O\n0.777515 0.181049 0.565590 O\n0.596466 0.818949 0.434410 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.4695469085919406,
"density_atomic": 0.06637133795561055,
"volume": 316.4016373158681,
"volume_molar": 9.073405698145837,
"formula_full": "Li3 Mn3 P3 O12",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.557680963054187,
"spacegroup": 180
},
{
"id": "jvasp-55695",
"created_at": "2022-09-04T14:38:12.057868Z",
"updated_at": "2022-09-04T14:38:12.057884Z",
"structure_string": "Sr7 H12 Br2\n1.0\n5.020329 -8.695465 -0.000000\n5.020329 8.695465 0.000000\n0.000000 -0.000000 3.995762\nSr H Br\n7 12 2\ndirect\n0.049633 0.776474 0.500000 Sr\n0.925671 0.359625 0.000000 Sr\n0.433954 0.074329 0.000000 Sr\n0.640375 0.566046 0.000000 Sr\n0.333333 0.666667 0.000000 Sr\n0.223527 0.273159 0.500000 Sr\n0.726841 0.950367 0.500000 Sr\n0.695785 0.090924 0.000000 H\n0.395140 0.304215 0.000000 H\n0.909076 0.604860 0.000000 H\n0.211936 0.820019 0.000000 H\n0.179981 0.391917 0.000000 H\n0.608083 0.788064 0.000000 H\n0.944374 0.227028 0.500000 H\n0.282654 0.055626 0.500000 H\n0.119390 0.561834 0.500000 H\n0.438167 0.557557 0.500000 H\n0.442443 0.880610 0.500000 H\n0.772972 0.717346 0.500000 H\n0.000000 0.000000 0.000000 Br\n0.666667 0.333333 0.500000 Br\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sr",
"H",
"Br"
],
"chemical_system": "Br-H-Sr",
"density": 3.7376508322633737,
"density_atomic": 0.060195592894394925,
"volume": 348.86274875374477,
"volume_molar": 10.004288471026504,
"formula_full": "Sr7 H12 Br2",
"formula_reduced": "Sr7(H6Br)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 1.5706639228571428,
"spacegroup": 174
},
{
"id": "jvasp-21639",
"created_at": "2022-09-04T14:38:29.140619Z",
"updated_at": "2022-09-04T14:38:29.140635Z",
"structure_string": "Ca2 Co12 P7\n1.0\n4.526726 -7.840518 -0.000000\n4.526726 7.840518 0.000000\n-0.000000 -0.000000 3.562412\nCa Co P\n2 12 7\ndirect\n0.666668 0.333333 0.500000 Ca\n0.333333 0.666668 0.000000 Ca\n0.564410 0.947023 0.500000 Co\n0.435419 0.058598 0.000000 Co\n0.623180 0.564582 0.000000 Co\n0.152283 0.271332 0.000000 Co\n0.119050 0.847718 0.000000 Co\n0.941403 0.376821 0.000000 Co\n0.894315 0.133957 0.500000 Co\n0.866044 0.760358 0.500000 Co\n0.239643 0.105686 0.500000 Co\n0.052978 0.617387 0.500000 Co\n0.382613 0.435591 0.500000 Co\n0.728669 0.880951 0.000000 Co\n0.708230 0.112938 0.000000 P\n0.000000 0.000000 0.000000 P\n0.404707 0.291771 0.000000 P\n0.598294 0.708513 0.500000 P\n0.291488 0.889782 0.500000 P\n0.110219 0.401707 0.500000 P\n0.887064 0.595294 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Co",
"P"
],
"chemical_system": "Ca-Co-P",
"density": 6.594069601062376,
"density_atomic": 0.08304551642221258,
"volume": 252.87337480368814,
"volume_molar": 7.251614559638321,
"formula_full": "Ca2 Co12 P7",
"formula_reduced": "Ca2Co12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 3.5515076257142857,
"spacegroup": 174
},
{
"id": "jvasp-26082",
"created_at": "2022-09-04T14:38:29.641009Z",
"updated_at": "2022-09-04T14:38:29.641040Z",
"structure_string": "Yb2 Ni12 P7\n1.0\n4.534292 -7.853625 0.000000\n4.534292 7.853625 -0.000000\n-0.000000 -0.000000 3.675608\nYb Ni P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Yb\n0.666667 0.333333 0.500000 Yb\n0.877343 0.780776 0.500000 Ni\n0.219224 0.096567 0.500000 Ni\n0.903433 0.122657 0.500000 Ni\n0.380107 0.432446 0.500000 Ni\n0.567553 0.947661 0.500000 Ni\n0.052339 0.619892 0.500000 Ni\n0.152931 0.275726 0.000000 Ni\n0.724274 0.877204 0.000000 Ni\n0.626384 0.564224 0.000000 Ni\n0.435776 0.062160 0.000000 Ni\n0.937840 0.373615 0.000000 Ni\n0.122796 0.847069 0.000000 Ni\n0.295808 0.890748 0.500000 P\n0.704729 0.113173 0.000000 P\n0.408443 0.295271 0.000000 P\n0.886827 0.591556 0.000000 P\n0.594941 0.704192 0.500000 P\n0.109252 0.405059 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Yb",
"Ni",
"P"
],
"chemical_system": "Ni-P-Yb",
"density": 8.038246223714658,
"density_atomic": 0.0802195951865192,
"volume": 261.7814257373493,
"volume_molar": 7.507069495922878,
"formula_full": "Yb2 Ni12 P7",
"formula_reduced": "Yb2Ni12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 1.8789061285714288,
"spacegroup": 174
},
{
"id": "jvasp-119187",
"created_at": "2022-09-04T14:38:52.734938Z",
"updated_at": "2022-09-04T14:38:52.734967Z",
"structure_string": "Ga1 Sb3 Pb4 O13\n1.0\n6.487679 -0.004323 3.649162\n2.132247 6.127277 3.649162\n-0.006085 -0.004323 7.443542\nGa Sb Pb O\n1 3 4 13\ndirect\n0.499489 0.499490 0.499489 Ga\n0.001050 0.499789 0.499788 Sb\n0.499789 0.499789 0.001050 Sb\n0.499788 0.001050 0.499788 Sb\n0.997330 0.997332 0.997329 Pb\n0.505200 0.998309 0.998307 Pb\n0.998308 0.998309 0.505199 Pb\n0.998308 0.505202 0.998307 Pb\n0.178846 0.573234 0.178846 O\n0.178846 0.178847 0.573233 O\n0.571210 0.571211 0.176993 O\n0.573233 0.178847 0.178846 O\n0.176993 0.571211 0.571210 O\n0.426701 0.426702 0.826077 O\n0.823733 0.424806 0.823733 O\n0.823734 0.823735 0.424804 O\n0.571210 0.176994 0.571210 O\n0.424805 0.823735 0.823733 O\n0.826077 0.426702 0.426701 O\n0.426701 0.826078 0.426701 O\n0.123646 0.123646 0.123646 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ga",
"Sb",
"Pb",
"O"
],
"chemical_system": "Ga-O-Pb-Sb",
"density": 8.251991402669674,
"density_atomic": 0.07090577069972512,
"volume": 296.1677137525481,
"volume_molar": 8.493160289453488,
"formula_full": "Ga1 Sb3 Pb4 O13",
"formula_reduced": "GaSb3Pb4O13",
"formula_anonymous": "AB3C4D13",
"energy_above_hull": 2.141882352619048,
"spacegroup": 160
},
{
"id": "jvasp-119487",
"created_at": "2022-09-04T14:38:49.884998Z",
"updated_at": "2022-09-04T14:38:49.885023Z",
"structure_string": "Sb8 Cl2 O11\n1.0\n4.176857 0.046495 0.230259\n1.610475 8.657238 1.272040\n0.008385 0.094337 11.227260\nSb Cl O\n8 2 11\ndirect\n0.670999 0.519502 0.858238 Sb\n0.329004 0.480498 0.141762 Sb\n0.300082 0.042391 0.683700 Sb\n0.699921 0.957609 0.316300 Sb\n0.870050 0.850326 0.939593 Sb\n0.129953 0.149674 0.060407 Sb\n0.233858 0.449077 0.640816 Sb\n0.766145 0.550923 0.359184 Sb\n0.907704 0.193256 0.511258 Cl\n0.092299 0.806744 0.488742 Cl\n0.500000 -0.000000 0.000000 O\n0.434596 0.248852 0.142987 O\n0.565407 0.751148 0.857013 O\n0.085841 0.003291 0.211560 O\n0.714627 0.490484 0.684622 O\n0.822268 0.455247 0.199941 O\n0.177735 0.544753 0.800059 O\n0.285376 0.509516 0.315378 O\n0.286868 0.240856 0.744728 O\n0.914161 -0.003291 0.788440 O\n0.713135 0.759144 0.255272 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb",
"density": 5.0104004309874695,
"density_atomic": 0.05189604919343994,
"volume": 404.655081193629,
"volume_molar": 11.604237419986964,
"formula_full": "Sb8 Cl2 O11",
"formula_reduced": "Sb8Cl2O11",
"formula_anonymous": "A2B8C11",
"energy_above_hull": 2.3266154969047617,
"spacegroup": 2
},
{
"id": "jvasp-120546",
"created_at": "2022-09-04T14:38:52.658180Z",
"updated_at": "2022-09-04T14:38:52.658207Z",
"structure_string": "Ba2 Sr1 B18\n1.0\n4.245834 0.000000 0.000000\n0.000000 4.245834 0.000000\n-0.000000 0.000000 12.740018\nBa Sr B\n2 1 18\ndirect\n0.000000 0.000000 0.332007 Ba\n0.000000 0.000000 0.667993 Ba\n0.000000 0.000000 0.000000 Sr\n0.796155 0.500000 0.163828 B\n0.500000 0.796155 0.836172 B\n0.500000 0.795652 0.500000 B\n0.500000 0.796155 0.163828 B\n0.500000 0.500000 0.736812 B\n0.500000 0.500000 0.400972 B\n0.500000 0.500000 0.066451 B\n0.500000 0.203844 0.836172 B\n0.500000 0.204347 0.500000 B\n0.500000 0.203844 0.163828 B\n0.500000 0.500000 0.933549 B\n0.500000 0.500000 0.599028 B\n0.500000 0.500000 0.263188 B\n0.203844 0.500000 0.836172 B\n0.204347 0.500000 0.500000 B\n0.203844 0.500000 0.163828 B\n0.795652 0.500000 0.500000 B\n0.796155 0.500000 0.836172 B\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"B"
],
"chemical_system": "B-Ba-Sr",
"density": 4.02632118915452,
"density_atomic": 0.09143726602221082,
"volume": 229.66565945769787,
"volume_molar": 6.586090138059437,
"formula_full": "Ba2 Sr1 B18",
"formula_reduced": "Ba2SrB18",
"formula_anonymous": "AB2C18",
"energy_above_hull": 4.778432607142857,
"spacegroup": 123
},
{
"id": "jvasp-119148",
"created_at": "2022-09-04T14:38:50.090317Z",
"updated_at": "2022-09-04T14:38:50.090336Z",
"structure_string": "Sm4 Ti4 S4 O9\n1.0\n6.776292 -0.004445 6.268555\n5.772012 3.549934 6.268555\n0.023811 0.006728 12.773087\nSm Ti S O\n4 4 4 9\ndirect\n0.867376 0.867373 0.821586 Sm\n0.141569 0.141569 0.160030 Sm\n0.154904 0.154904 0.690369 Sm\n0.844512 0.844509 0.311733 Sm\n0.879204 0.879201 0.544590 Ti\n0.117802 0.117802 0.462954 Ti\n0.433549 0.433548 0.968730 Ti\n0.565425 0.565422 0.030734 Ti\n0.545277 0.545276 0.656296 S\n0.461245 0.461244 0.350906 S\n0.291857 0.291857 0.734657 S\n0.693511 0.693508 0.279157 S\n0.037534 0.037534 0.098841 O\n0.767328 0.767325 0.560239 O\n0.233788 0.233788 0.439126 O\n0.588511 0.588510 0.864754 O\n0.409089 0.409088 0.137638 O\n0.322476 0.322476 0.974551 O\n0.680240 0.680237 0.016525 O\n0.959721 0.959718 0.906369 O\n0.983590 0.983587 0.542815 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sm",
"Ti",
"S",
"O"
],
"chemical_system": "O-S-Sm-Ti",
"density": 5.761073498161626,
"density_atomic": 0.0684002523632648,
"volume": 307.0164111160255,
"volume_molar": 8.804266873193972,
"formula_full": "Sm4 Ti4 S4 O9",
"formula_reduced": "Sm4Ti4S4O9",
"formula_anonymous": "A4B4C4D9",
"energy_above_hull": 2.914728587301587,
"spacegroup": 8
},
{
"id": "jvasp-119670",
"created_at": "2022-09-04T14:38:52.427408Z",
"updated_at": "2022-09-04T14:38:52.427431Z",
"structure_string": "Hf8 Mg1 N8 O4\n1.0\n4.954206 -0.002547 2.363241\n2.560699 4.659845 1.054700\n-0.003331 -0.046919 11.517409\nHf Mg N O\n8 1 8 4\ndirect\n0.050166 0.441334 0.279448 Hf\n0.163641 0.069093 0.804068 Hf\n0.353633 0.424146 0.977729 Hf\n0.535310 0.059659 0.507882 Hf\n0.246121 0.776298 0.449799 Hf\n0.757376 0.122177 0.216778 Hf\n0.624208 0.762865 0.049393 Hf\n0.945927 0.706248 0.744974 Hf\n0.700045 0.409699 0.656605 Mg\n0.740014 0.031758 0.892663 N\n0.165084 0.957733 0.629073 N\n0.898701 0.730876 0.130253 N\n0.500926 0.683842 0.839221 N\n0.496798 0.433839 0.121358 N\n0.368760 0.317659 0.668474 N\n0.352414 0.108453 0.360319 N\n0.647864 0.397517 0.379332 N\n0.026822 0.433395 0.914377 O\n0.190969 0.126864 0.130774 O\n0.980429 0.810172 0.347878 O\n0.859535 0.703403 0.581120 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Hf",
"Mg",
"N",
"O"
],
"chemical_system": "Hf-Mg-N-O",
"density": 10.166174745494565,
"density_atomic": 0.07895864607705577,
"volume": 265.96200724498357,
"volume_molar": 7.626955449721099,
"formula_full": "Hf8 Mg1 N8 O4",
"formula_reduced": "Hf8Mg(N2O)4",
"formula_anonymous": "AB4C8D8",
"energy_above_hull": 5.563853002380951,
"spacegroup": 1
}
]
}