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=id&page=688",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=686",
"results": [
{
"id": "jvasp-111760",
"created_at": "2022-09-04T14:38:42.026291Z",
"updated_at": "2022-09-04T14:38:42.026322Z",
"structure_string": "Y4 W2 O12\n1.0\n5.319529 0.000000 0.000000\n0.000000 5.399921 0.000000\n0.000000 0.000000 8.136127\nY W O\n4 2 12\ndirect\n0.000000 0.500000 0.004709 Y\n0.500000 0.000000 0.995291 Y\n0.500000 0.500000 0.674754 Y\n0.000000 0.000000 0.325246 Y\n0.500000 0.500000 0.277786 W\n0.000000 0.000000 0.722214 W\n0.734419 0.500000 0.446060 O\n0.265581 0.500000 0.446060 O\n0.766105 0.755827 0.829120 O\n0.233895 0.755827 0.829120 O\n0.766105 0.244173 0.829120 O\n0.266105 0.744173 0.170880 O\n0.733895 0.744173 0.170880 O\n0.234419 0.000000 0.553941 O\n0.733895 0.255827 0.170880 O\n0.266105 0.255827 0.170880 O\n0.233895 0.244173 0.829120 O\n0.765581 0.000000 0.553941 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"W",
"O"
],
"chemical_system": "O-W-Y",
"density": 6.503279964890076,
"density_atomic": 0.0770183480001578,
"volume": 233.7105438818698,
"volume_molar": 7.819098846404317,
"formula_full": "Y4 W2 O12",
"formula_reduced": "Y2WO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.3506268777777777,
"spacegroup": 59
},
{
"id": "jvasp-111761",
"created_at": "2022-09-04T14:38:42.090782Z",
"updated_at": "2022-09-04T14:38:42.090817Z",
"structure_string": "Y4 Ge1 O8 F2\n1.0\n5.236557 0.024877 -1.909924\n-2.334292 5.927406 -0.044547\n-0.026505 -0.026894 6.844281\nY Ge O F\n4 1 8 2\ndirect\n0.863557 0.716613 0.882419 Y\n0.131106 0.279127 0.141648 Y\n0.555886 0.931998 0.257080 Y\n0.444235 0.071687 0.749008 Y\n0.077941 0.444819 0.637180 Ge\n0.942334 0.256442 0.401557 O\n0.086030 0.725713 0.641162 O\n0.522710 0.568152 0.154073 O\n0.415712 0.436838 0.774646 O\n0.157210 0.639844 0.180794 O\n0.882293 0.347699 0.803309 O\n0.740089 0.975283 0.013734 O\n0.258314 0.036999 0.993275 O\n0.633637 0.861744 0.598488 F\n0.384667 0.141957 0.412736 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Y",
"Ge",
"O",
"F"
],
"chemical_system": "F-Ge-O-Y",
"density": 4.645609389787806,
"density_atomic": 0.0706173979310421,
"volume": 212.41224456680635,
"volume_molar": 8.527842906192355,
"formula_full": "Y4 Ge1 O8 F2",
"formula_reduced": "Y4Ge(O4F)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.3902470876666664,
"spacegroup": 1
},
{
"id": "jvasp-111763",
"created_at": "2022-09-04T14:38:38.606480Z",
"updated_at": "2022-09-04T14:38:38.606496Z",
"structure_string": "Y6 Cr1 Ge2 S14\n1.0\n6.010402 -0.002360 0.013949\n-0.007770 8.388344 4.789801\n-0.022314 0.046151 9.659270\nY Cr Ge S\n6 1 2 14\ndirect\n0.738008 0.217405 0.634670 Y\n0.738014 0.634667 0.147943 Y\n0.738007 0.147935 0.217415 Y\n0.227516 0.788041 0.359519 Y\n0.227479 0.359536 0.852414 Y\n0.227499 0.852424 0.788032 Y\n0.557155 -0.000001 0.000010 Cr\n0.167015 0.333333 0.333345 Ge\n0.653825 0.666656 0.666656 Ge\n0.494166 0.908758 0.523422 S\n0.006062 0.430594 0.089403 S\n0.006082 0.480011 0.430619 S\n0.006078 0.089393 0.480029 S\n0.027142 0.666675 0.666650 S\n0.541656 0.333334 0.333341 S\n0.319934 0.103084 0.139452 S\n0.791048 0.246269 0.898036 S\n0.791058 0.855726 0.246237 S\n0.494169 0.523425 0.567782 S\n0.319942 0.757463 0.103066 S\n0.319950 0.139438 0.757496 S\n0.791049 0.898030 0.855717 S\n0.494150 0.567800 0.908750 S\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Y",
"Cr",
"Ge",
"S"
],
"chemical_system": "Cr-Ge-S-Y",
"density": 4.033217817055584,
"density_atomic": 0.04735739952996541,
"volume": 485.6685592596093,
"volume_molar": 12.716367072033776,
"formula_full": "Y6 Cr1 Ge2 S14",
"formula_reduced": "Y6Cr(GeS7)2",
"formula_anonymous": "AB2C6D14",
"energy_above_hull": 2.7164326956521743,
"spacegroup": 143
},
{
"id": "jvasp-111764",
"created_at": "2022-09-04T14:38:38.624121Z",
"updated_at": "2022-09-04T14:38:38.624147Z",
"structure_string": "V2 P2 O10\n1.0\n4.779935 0.223845 1.693879\n-0.714042 4.731599 1.693879\n0.116783 0.142333 7.053580\nV P O\n2 2 10\ndirect\n-0.000000 -0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.616790 0.383211 0.250000 P\n0.383211 0.616789 0.750000 P\n0.750883 0.263767 0.067119 O\n0.263767 0.750882 0.567119 O\n0.705414 0.687340 0.655804 O\n0.687341 0.705414 0.155804 O\n0.249118 0.736233 0.932881 O\n0.736234 0.249119 0.432881 O\n0.294587 0.312660 0.344196 O\n0.312660 0.294587 0.844197 O\n0.938386 0.061614 0.750000 O\n0.061614 0.938386 0.250000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.393858783521452,
"density_atomic": 0.08836147767915263,
"volume": 158.44008461283417,
"volume_molar": 6.8153463683199815,
"formula_full": "V2 P2 O10",
"formula_reduced": "VPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.8330510285714285,
"spacegroup": 15
},
{
"id": "jvasp-111768",
"created_at": "2022-09-04T14:38:41.304875Z",
"updated_at": "2022-09-04T14:38:41.304901Z",
"structure_string": "Ti2 Cr2 Cu2 Se8\n1.0\n6.484385 0.003509 -3.597087\n-2.130689 5.999020 -3.802397\n0.004950 -0.003509 7.415273\nTi Cr Cu Se\n2 2 2 8\ndirect\n-0.000000 0.500000 -0.000000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.499999 Cr\n0.623847 0.873846 0.749999 Cu\n0.376154 0.126153 0.250000 Cu\n0.233519 0.743279 0.490239 Se\n0.753039 0.743279 0.009760 Se\n0.755313 0.739422 0.484108 Se\n0.755313 0.271204 0.015891 Se\n0.766482 0.256721 0.509760 Se\n0.246961 0.256721 0.990239 Se\n0.244688 0.260578 0.515891 Se\n0.244687 0.728796 0.984108 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Cu",
"Se"
],
"chemical_system": "Cr-Cu-Se-Ti",
"density": 5.516844182726141,
"density_atomic": 0.04852643137272798,
"volume": 288.5025666212094,
"volume_molar": 12.41002189867286,
"formula_full": "Ti2 Cr2 Cu2 Se8",
"formula_reduced": "TiCrCuSe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.13864137857143,
"spacegroup": 74
},
{
"id": "jvasp-111769",
"created_at": "2022-09-04T14:38:52.874235Z",
"updated_at": "2022-09-04T14:38:52.874254Z",
"structure_string": "Ti2 Al2 Fe2 O10\n1.0\n5.078919 0.030070 0.000000\n-3.757430 3.417316 -0.000000\n0.000000 0.000000 9.598059\nTi Al Fe O\n2 2 2 10\ndirect\n0.125774 0.874228 0.059995 Ti\n0.874227 0.125774 0.559995 Ti\n0.803133 0.196868 0.253027 Al\n0.196868 0.803133 0.753027 Al\n0.856837 0.143163 0.937538 Fe\n0.143164 0.856838 0.437538 Fe\n0.687546 0.312455 0.422918 O\n0.316838 0.683164 0.577907 O\n0.683163 0.316838 0.077907 O\n0.312455 0.687546 0.922918 O\n0.952162 0.047838 0.379618 O\n0.058229 0.941773 0.617136 O\n0.941772 0.058229 0.117136 O\n0.047839 0.952163 0.879618 O\n0.247948 0.752053 0.251860 O\n0.752053 0.247948 0.751860 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ti",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O-Ti",
"density": 4.173171907479223,
"density_atomic": 0.095424991812907,
"volume": 167.6709601544432,
"volume_molar": 6.310863271340052,
"formula_full": "Ti2 Al2 Fe2 O10",
"formula_reduced": "TiAlFeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.7348805166666668,
"spacegroup": 36
},
{
"id": "jvasp-11177",
"created_at": "2022-09-04T14:37:07.652859Z",
"updated_at": "2022-09-04T14:37:07.652876Z",
"structure_string": "Ba2 Nd1 Sb1 O6\n1.0\n5.300025 -0.000000 3.059971\n1.766675 4.996912 3.059971\n0.000000 0.000000 6.119943\nBa Nd Sb O\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.500001 0.500000 0.499999 Nd\n0.000000 0.000000 0.000000 Sb\n0.232450 0.767550 0.767550 O\n0.232450 0.767550 0.232449 O\n0.767552 0.232449 0.767550 O\n0.232450 0.232449 0.767550 O\n0.767552 0.232449 0.232449 O\n0.767552 0.767550 0.232448 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Sb",
"O"
],
"chemical_system": "Ba-Nd-O-Sb",
"density": 6.5226561006828545,
"density_atomic": 0.06169827237117042,
"volume": 162.0790925853002,
"volume_molar": 9.760631098017502,
"formula_full": "Ba2 Nd1 Sb1 O6",
"formula_reduced": "Ba2NdSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7815410539999998,
"spacegroup": 225
},
{
"id": "jvasp-111770",
"created_at": "2022-09-04T14:38:40.877544Z",
"updated_at": "2022-09-04T14:38:40.877568Z",
"structure_string": "Th1 Nb4 O12\n1.0\n5.605487 0.000000 0.000000\n0.000000 5.591278 0.000000\n0.000000 0.000000 7.867601\nTh Nb O\n1 4 12\ndirect\n0.764091 0.500000 0.000000 Th\n0.266799 0.500000 0.256774 Nb\n0.763634 0.000000 0.260768 Nb\n0.763634 0.000000 0.739232 Nb\n0.266799 0.500000 0.743226 Nb\n0.802822 0.000000 0.000000 O\n0.169208 0.500000 0.000000 O\n0.985012 0.737087 0.736343 O\n0.985012 0.262913 0.736343 O\n0.985012 0.737087 0.263657 O\n0.509413 0.735496 0.804816 O\n0.312465 0.500000 0.500000 O\n0.509413 0.264505 0.804816 O\n0.509413 0.735496 0.195184 O\n0.509413 0.264505 0.195184 O\n0.985012 0.262913 0.263657 O\n0.669152 0.000000 0.500000 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Th",
"Nb",
"O"
],
"chemical_system": "Nb-O-Th",
"density": 5.358063847049757,
"density_atomic": 0.06894172706634692,
"volume": 246.58506137567224,
"volume_molar": 8.735117346573752,
"formula_full": "Th1 Nb4 O12",
"formula_reduced": "ThNb4O12",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.8287438352941177,
"spacegroup": 25
},
{
"id": "jvasp-111773",
"created_at": "2022-09-04T14:38:41.805982Z",
"updated_at": "2022-09-04T14:38:41.806008Z",
"structure_string": "Ta1 Tl6 V1 S8\n1.0\n7.654591 0.000000 0.000000\n0.000000 7.654591 -0.000000\n0.000000 -0.000000 7.654591\nTa Tl V S\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 V\n0.336120 0.336120 0.663879 S\n0.827282 0.827282 0.172718 S\n0.336120 0.663879 0.336120 S\n0.827282 0.172718 0.827282 S\n0.172718 0.827282 0.827282 S\n0.663879 0.336120 0.336120 S\n0.663879 0.663879 0.663879 S\n0.172718 0.172718 0.172718 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ta",
"Tl",
"V",
"S"
],
"chemical_system": "S-Ta-Tl-V",
"density": 6.348536181879834,
"density_atomic": 0.03567418099010391,
"volume": 448.5036392128647,
"volume_molar": 16.880950291950793,
"formula_full": "Ta1 Tl6 V1 S8",
"formula_reduced": "TaTl6VS8",
"formula_anonymous": "ABC6D8",
"energy_above_hull": 1.6998261875,
"spacegroup": 215
},
{
"id": "jvasp-111774",
"created_at": "2022-09-04T14:38:42.099541Z",
"updated_at": "2022-09-04T14:38:42.099569Z",
"structure_string": "Sr2 Pr2 Al6 O14\n1.0\n7.921025 0.015328 0.000000\n0.008192 7.921036 0.000000\n0.000000 0.000000 5.231828\nSr Pr Al O\n2 2 6 14\ndirect\n0.160711 0.839288 0.490949 Sr\n0.839288 0.160713 0.490949 Sr\n0.662316 0.662316 0.509700 Pr\n0.337685 0.337685 0.509700 Pr\n0.357564 0.642436 0.039065 Al\n0.855635 0.855636 0.961379 Al\n0.642436 0.357564 0.039065 Al\n0.144365 0.144365 0.961379 Al\n0.500000 0.000000 0.999180 Al\n-0.000000 0.500000 0.999180 Al\n0.833907 0.418622 0.189408 O\n0.338808 0.091478 0.805085 O\n0.091478 0.338808 0.805085 O\n0.581379 0.166094 0.189408 O\n0.908522 0.661192 0.805085 O\n0.418622 0.833907 0.189408 O\n0.849218 0.849219 0.294031 O\n0.000000 0.000000 0.836617 O\n0.150782 0.150782 0.294031 O\n0.631941 0.368059 0.704544 O\n0.661192 0.908523 0.805085 O\n0.368059 0.631942 0.704544 O\n0.500000 0.500000 0.187720 O\n0.166094 0.581379 0.189408 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Pr",
"Al",
"O"
],
"chemical_system": "Al-O-Pr-Sr",
"density": 4.264104187495803,
"density_atomic": 0.07311311406486906,
"volume": 328.2584842263206,
"volume_molar": 8.236744990313092,
"formula_full": "Sr2 Pr2 Al6 O14",
"formula_reduced": "SrPrAl3O7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.060638255,
"spacegroup": 35
},
{
"id": "jvasp-111775",
"created_at": "2022-09-04T14:38:53.977574Z",
"updated_at": "2022-09-04T14:38:53.977605Z",
"structure_string": "Ta8 Ti8 Co8 C4\n1.0\n7.032884 -0.007983 -4.029031\n-2.366255 6.622867 -4.029031\n0.005632 0.007983 8.105216\nTa Ti Co C\n8 8 8 4\ndirect\n0.309385 0.309385 0.000000 Ta\n0.690616 0.690616 0.000001 Ta\n0.559990 0.059991 0.119980 Ta\n0.940009 0.440010 0.880021 Ta\n0.940009 0.059991 0.500000 Ta\n0.559990 0.440010 0.500000 Ta\n0.936104 0.436104 0.500000 Ta\n0.563896 0.063896 0.500000 Ta\n0.684760 0.315240 0.000000 Ti\n0.315240 0.684761 0.000001 Ti\n0.684760 0.684761 0.369521 Ti\n0.315240 0.315240 0.630480 Ti\n0.624502 0.877568 0.746935 Ti\n0.130633 0.877568 0.253066 Ti\n0.122433 0.375498 0.253066 Ti\n0.122433 0.869367 0.746935 Ti\n0.914125 0.749290 0.835165 Co\n0.921039 0.085875 0.835164 Co\n0.250710 0.085875 0.164836 Co\n0.914124 0.078961 0.164836 Co\n0.333601 0.002830 0.669227 Co\n0.335626 0.666399 0.669228 Co\n0.997170 0.666399 0.330773 Co\n0.333602 0.664374 0.330773 Co\n0.128366 0.376796 0.751569 C\n0.623204 0.871635 0.248432 C\n0.625227 0.376797 0.248432 C\n0.623204 0.374773 0.751569 C\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ta",
"Ti",
"Co",
"C"
],
"chemical_system": "C-Co-Ta-Ti",
"density": 10.328407067775645,
"density_atomic": 0.07410872715297351,
"volume": 377.8232480258776,
"volume_molar": 8.126088507186523,
"formula_full": "Ta8 Ti8 Co8 C4",
"formula_reduced": "Ta2Ti2Co2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 5.423285266666668,
"spacegroup": 119
},
{
"id": "jvasp-11178",
"created_at": "2022-09-04T14:37:03.184526Z",
"updated_at": "2022-09-04T14:37:03.184553Z",
"structure_string": "Lu4 Mg2 S8\n1.0\n6.700728 -0.000000 3.868667\n2.233576 6.317507 3.868667\n-0.000000 -0.000000 7.737334\nLu Mg S\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.875001 0.875000 0.875000 Mg\n0.125000 0.125000 0.125000 Mg\n0.255677 0.255677 0.732971 S\n0.744324 0.744324 0.744323 S\n0.744324 0.744324 0.267028 S\n0.255677 0.732972 0.255676 S\n0.255677 0.255677 0.255676 S\n0.267029 0.744324 0.744323 S\n0.744324 0.267029 0.744323 S\n0.732972 0.255677 0.255676 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Lu",
"Mg",
"S"
],
"chemical_system": "Lu-Mg-S",
"density": 5.095129531773245,
"density_atomic": 0.042743390671349545,
"volume": 327.5360185541868,
"volume_molar": 14.089057197880603,
"formula_full": "Lu4 Mg2 S8",
"formula_reduced": "Lu2MgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2379515071428568,
"spacegroup": 227
}
]
}