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=formula_anonymous&page=1189",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1187",
"results": [
{
"id": "jvasp-9466",
"created_at": "2022-09-04T14:38:13.796451Z",
"updated_at": "2022-09-04T14:38:13.796474Z",
"structure_string": "Ba2 Tl1 Ni2 O7\n1.0\n0.000000 3.645629 -0.000484\n3.645637 0.000000 0.000000\n0.000000 -0.001569 -13.242121\nBa Tl Ni O\n2 1 2 7\ndirect\n0.000002 0.000000 0.283577 Ba\n-0.000015 0.000000 0.716426 Ba\n0.499985 0.500000 0.500004 Tl\n0.500012 0.500000 0.094501 Ni\n0.500026 0.500000 0.905507 Ni\n-0.000002 0.000000 0.500002 O\n0.500010 0.000000 0.119527 O\n0.000014 0.500000 0.119506 O\n0.499968 0.000000 0.880499 O\n0.000009 0.500000 0.880478 O\n0.500001 0.500000 0.341691 O\n0.499985 0.500000 0.658315 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Tl",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Tl",
"density": 6.683999326059475,
"density_atomic": 0.06818326497353142,
"volume": 175.99626542757042,
"volume_molar": 8.832285696992924,
"formula_full": "Ba2 Tl1 Ni2 O7",
"formula_reduced": "Ba2TlNi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.6960219866666668,
"spacegroup": 123
},
{
"id": "jvasp-55301",
"created_at": "2022-09-04T14:38:10.308627Z",
"updated_at": "2022-09-04T14:38:10.308663Z",
"structure_string": "Ca4 Co2 Si4 O14\n1.0\n7.850408 0.000000 0.000000\n0.000000 7.850408 0.000000\n0.000000 -0.000000 5.032450\nCa Co Si O\n4 2 4 14\ndirect\n0.167898 0.332102 0.497741 Ca\n0.832102 0.667899 0.497741 Ca\n0.667899 0.167898 0.502259 Ca\n0.332102 0.832102 0.502259 Ca\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.858509 0.358509 0.933953 Si\n0.641491 0.858509 0.066047 Si\n0.358509 0.141491 0.066047 Si\n0.141491 0.641491 0.933953 Si\n0.000000 0.500000 0.816145 O\n0.500000 0.000000 0.183855 O\n0.642024 0.857976 0.745491 O\n0.857976 0.357976 0.254509 O\n0.082409 0.815420 0.776362 O\n0.184580 0.082409 0.223638 O\n0.315420 0.582409 0.776362 O\n0.917591 0.184580 0.776362 O\n0.582409 0.684580 0.223638 O\n0.417591 0.315420 0.223638 O\n0.357976 0.142024 0.745491 O\n0.684580 0.417591 0.776362 O\n0.815420 0.917591 0.223638 O\n0.142024 0.642024 0.254509 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Si",
"O"
],
"chemical_system": "Ca-Co-O-Si",
"density": 3.2901487489010117,
"density_atomic": 0.07738331248143879,
"volume": 310.1443868244417,
"volume_molar": 7.782221472419489,
"formula_full": "Ca4 Co2 Si4 O14",
"formula_reduced": "Ca2CoSi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.3672586200000003,
"spacegroup": 113
},
{
"id": "jvasp-24329",
"created_at": "2022-09-04T14:38:18.358583Z",
"updated_at": "2022-09-04T14:38:18.358591Z",
"structure_string": "K8 Zr4 Si8 O28\n1.0\n0.000000 9.629530 0.066493\n5.616510 0.000000 0.000000\n0.000000 -6.522249 -12.640156\nK Zr Si O\n8 4 8 28\ndirect\n0.039045 0.754378 0.428519 K\n0.525656 0.245890 0.407068 K\n0.960955 0.254378 0.071481 K\n0.039045 0.745622 0.928519 K\n0.960956 0.245622 0.571481 K\n0.474344 0.754110 0.592932 K\n0.474344 0.745890 0.092932 K\n0.525656 0.254110 0.907068 K\n0.766430 0.241265 0.773502 Zr\n0.233570 0.741265 0.726499 Zr\n0.233570 0.758735 0.226499 Zr\n0.766430 0.258735 0.273502 Zr\n0.333350 0.250061 0.113879 Si\n0.333350 0.249939 0.613879 Si\n0.666650 0.749939 0.886122 Si\n0.666650 0.750062 0.386122 Si\n0.180219 0.233811 0.870763 Si\n0.819782 0.766189 0.129237 Si\n0.819782 0.733811 0.629238 Si\n0.180219 0.266189 0.370763 Si\n0.324513 0.216822 0.494100 O\n0.478383 0.754049 0.305695 O\n0.215652 0.970666 0.836840 O\n0.206078 0.056379 0.301322 O\n0.784348 0.470666 0.663161 O\n0.987245 0.750360 0.127282 O\n0.987245 0.749640 0.627282 O\n0.675488 0.716822 0.005900 O\n0.784348 0.029334 0.163161 O\n0.215652 0.529334 0.336840 O\n0.793922 0.556379 0.198679 O\n0.521617 0.245951 0.694306 O\n0.521617 0.254049 0.194306 O\n0.012755 0.249640 0.872719 O\n0.757141 0.978649 0.368992 O\n0.248574 0.501782 0.613867 O\n0.324513 0.283178 0.994101 O\n0.478383 0.745951 0.805695 O\n0.012755 0.250360 0.372719 O\n0.242859 0.021351 0.631009 O\n0.751426 0.498218 0.386133 O\n0.757141 0.521351 0.868992 O\n0.248574 0.998218 0.113867 O\n0.242859 0.478649 0.131009 O\n0.751426 0.001782 0.886133 O\n0.675488 0.783178 0.505900 O\n0.793923 0.943621 0.698679 O\n0.206078 0.443621 0.801322 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"K",
"Zr",
"Si",
"O"
],
"chemical_system": "K-O-Si-Zr",
"density": 3.2917088192719968,
"density_atomic": 0.07046400614752736,
"volume": 681.1988506515586,
"volume_molar": 8.546407008695631,
"formula_full": "K8 Zr4 Si8 O28",
"formula_reduced": "K2ZrSi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.3527726833333333,
"spacegroup": 14
},
{
"id": "jvasp-9265",
"created_at": "2022-09-04T14:38:18.718003Z",
"updated_at": "2022-09-04T14:38:18.718025Z",
"structure_string": "Ba2 Ti2 Tl1 O7\n1.0\n3.894464 -0.000000 -0.000000\n-0.000000 3.894464 -0.000000\n-0.000000 0.000000 13.506308\nBa Ti Tl O\n2 2 1 7\ndirect\n0.000000 0.000000 0.294044 Ba\n0.000000 0.000000 0.705956 Ba\n0.499999 0.499999 0.152959 Ti\n0.499999 0.499999 0.847041 Ti\n0.499999 0.499999 0.500000 Tl\n0.000000 0.000000 0.500000 O\n0.000000 0.499999 0.141390 O\n0.499999 0.000000 0.141390 O\n0.000000 0.499999 0.858610 O\n0.499999 0.000000 0.858610 O\n0.499999 0.499999 0.290924 O\n0.499999 0.499999 0.709077 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Tl",
"O"
],
"chemical_system": "Ba-O-Ti-Tl",
"density": 5.567068214489314,
"density_atomic": 0.05857997872017272,
"volume": 204.84814542733278,
"volume_molar": 10.28020305156957,
"formula_full": "Ba2 Ti2 Tl1 O7",
"formula_reduced": "Ba2Ti2TlO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.162195475555556,
"spacegroup": 123
},
{
"id": "jvasp-12239",
"created_at": "2022-09-04T14:38:10.268697Z",
"updated_at": "2022-09-04T14:38:10.268718Z",
"structure_string": "Ba1 Ni2 As2 O8\n1.0\n4.739554 -0.025583 6.859734\n2.120505 4.238805 6.859735\n-0.041658 -0.025587 8.337721\nBa Ni As O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.831060 0.831059 0.831060 Ni\n0.168940 0.168940 0.168941 Ni\n0.573878 0.573877 0.573878 As\n0.426122 0.426122 0.426122 As\n0.881027 0.212476 0.560970 O\n0.212476 0.560968 0.881029 O\n0.560970 0.881027 0.212476 O\n0.118973 0.787523 0.439031 O\n0.787524 0.439031 0.118972 O\n0.354039 0.354039 0.354039 O\n0.645961 0.645960 0.645961 O\n0.439030 0.118972 0.787525 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Ni",
"As",
"O"
],
"chemical_system": "As-Ba-Ni-O",
"density": 5.213072467419187,
"density_atomic": 0.07663476568540376,
"volume": 169.63580280739404,
"volume_molar": 7.858236018782539,
"formula_full": "Ba1 Ni2 As2 O8",
"formula_reduced": "BaNi2(AsO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.3160801746153847,
"spacegroup": 148
},
{
"id": "jvasp-46720",
"created_at": "2022-09-04T14:38:07.752567Z",
"updated_at": "2022-09-04T14:38:07.752588Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 4.801384 0.004335\n10.013088 0.000000 0.000000\n0.000000 -0.066862 -6.051290\nLi Mn P O\n2 4 4 16\ndirect\n0.250083 0.797048 0.749792 Li\n0.749916 0.297048 0.250207 Li\n0.297250 0.516084 0.998241 Mn\n0.202800 0.078212 0.501805 Mn\n0.797199 0.578212 0.498194 Mn\n0.702750 0.016084 0.001758 Mn\n0.165422 0.202025 0.000545 P\n0.665469 0.892289 0.500528 P\n0.834578 0.702025 0.999454 P\n0.334531 0.392289 0.499471 P\n0.983859 0.906305 0.514919 O\n0.965902 0.624176 0.196823 O\n0.015871 0.136967 0.205647 O\n0.484101 0.457362 0.294386 O\n0.534191 0.970164 0.303167 O\n0.574489 0.744385 0.500408 O\n0.016140 0.406304 0.485080 O\n0.034097 0.124176 0.803177 O\n0.465809 0.470164 0.696832 O\n0.515899 0.957362 0.705613 O\n0.984129 0.636967 0.794352 O\n0.483818 0.187960 0.014917 O\n0.516181 0.687960 0.985083 O\n0.074572 0.349949 0.000401 O\n0.425511 0.244385 0.499591 O\n0.925428 0.849949 -0.000402 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.5018654151754887,
"density_atomic": 0.08937071658957772,
"volume": 290.9230337650899,
"volume_molar": 6.738382537152324,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0856333448275866,
"spacegroup": 14
},
{
"id": "jvasp-46717",
"created_at": "2022-09-04T14:38:18.809071Z",
"updated_at": "2022-09-04T14:38:18.809101Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 8.513021 0.082096\n4.970491 0.000000 0.000000\n0.000000 -5.624257 -8.243491\nLi Mn P O\n2 4 4 16\ndirect\n0.503079 0.569014 0.994655 Li\n0.503079 0.430986 0.494655 Li\n0.494885 0.091642 0.765448 Mn\n0.000557 0.447926 0.230131 Mn\n0.000556 0.552074 0.730131 Mn\n0.494885 0.908358 0.265448 Mn\n0.747409 0.429873 0.364269 P\n0.248515 0.055767 0.885893 P\n0.747409 0.570127 0.864269 P\n0.248515 0.944232 0.385893 P\n0.936533 0.512715 0.391869 O\n0.742327 0.517526 0.512351 O\n0.715144 0.125176 0.333167 O\n0.276404 0.005105 0.049945 O\n0.572651 0.581281 0.213000 O\n0.260206 0.360540 0.852791 O\n0.276403 -0.005105 0.549945 O\n0.572651 0.418719 0.713000 O\n0.742327 0.482473 0.012352 O\n0.057617 0.057874 0.243075 O\n0.422186 0.919007 0.895259 O\n0.936533 0.487285 0.891869 O\n0.260206 0.639460 0.352791 O\n0.715143 0.874824 0.833167 O\n0.057617 0.942126 0.743075 O\n0.422186 0.080993 0.395259 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.940019916859145,
"density_atomic": 0.07503192030701307,
"volume": 346.5191866823357,
"volume_molar": 8.02610507016055,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.091988729442971,
"spacegroup": 7
},
{
"id": "jvasp-29423",
"created_at": "2022-09-04T14:38:10.620357Z",
"updated_at": "2022-09-04T14:38:10.620386Z",
"structure_string": "U2 Tl4 Te4 O16\n1.0\n7.012296 0.019719 -2.192897\n-2.595111 7.491403 -0.567705\n0.029388 0.008683 8.924982\nU Tl Te O\n2 4 4 16\ndirect\n0.107825 0.937727 0.714687 U\n0.892175 0.062272 0.285312 U\n0.034004 0.421374 0.683848 Tl\n0.293877 0.417348 0.084994 Tl\n0.706124 0.582652 0.915005 Tl\n0.965997 0.578626 0.316151 Tl\n0.339135 0.908892 0.135525 Te\n0.660866 0.091107 0.864474 Te\n0.406115 0.284954 0.487583 Te\n0.593886 0.715045 0.512416 Te\n0.838886 0.218137 0.067629 O\n0.995101 0.087160 0.804678 O\n0.172744 0.137839 0.549197 O\n0.689506 0.284289 0.751751 O\n0.816090 0.707418 0.692050 O\n0.310494 0.715710 0.248248 O\n0.161115 0.781862 0.932370 O\n0.418831 0.496344 0.614193 O\n0.004900 0.912839 0.195320 O\n0.183911 0.292581 0.307949 O\n0.227304 0.800043 0.622078 O\n0.772696 0.199956 0.377921 O\n0.410316 0.108137 0.886785 O\n0.589685 0.891863 0.113214 O\n0.581170 0.503655 0.385806 O\n0.827257 0.862160 0.450801 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"U",
"Tl",
"Te",
"O"
],
"chemical_system": "O-Te-Tl-U",
"density": 7.280059601267291,
"density_atomic": 0.05533448624767046,
"volume": 469.869727960013,
"volume_molar": 10.883160156300406,
"formula_full": "U2 Tl4 Te4 O16",
"formula_reduced": "UTl2(TeO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.302689594871796,
"spacegroup": 2
},
{
"id": "jvasp-46716",
"created_at": "2022-09-04T14:38:18.197426Z",
"updated_at": "2022-09-04T14:38:18.197446Z",
"structure_string": "Li1 Mn2 P2 O8\n1.0\n2.562411 1.487347 -3.914036\n-2.562411 4.182149 0.203736\n5.109736 2.687328 4.106350\nLi Mn P O\n1 2 2 8\ndirect\n0.495535 0.495535 0.000000 Li\n0.959826 0.959827 0.000000 Mn\n0.548530 0.548530 0.500000 Mn\n0.479571 0.016694 0.249494 P\n0.016694 0.479571 0.750506 P\n0.564119 0.712472 0.239207 O\n0.636999 0.152084 0.075981 O\n0.147885 0.568866 0.562933 O\n0.172696 0.044727 0.220740 O\n0.044727 0.172696 0.779260 O\n0.568866 0.147885 0.437067 O\n0.152084 0.636999 0.924020 O\n0.712472 0.564119 0.760794 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.989451930365447,
"density_atomic": 0.07629346920902949,
"volume": 170.39466332802996,
"volume_molar": 7.893389594724664,
"formula_full": "Li1 Mn2 P2 O8",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.091887960212202,
"spacegroup": 5
},
{
"id": "jvasp-48191",
"created_at": "2022-09-04T14:36:51.281808Z",
"updated_at": "2022-09-04T14:36:51.281820Z",
"structure_string": "Li4 P4 W2 O16\n1.0\n0.000000 5.829151 -0.001418\n4.876144 0.000000 0.000000\n0.000000 -0.002506 -10.100040\nLi P W O\n4 4 2 16\ndirect\n0.730801 0.684616 0.443757 Li\n0.730801 0.315383 0.943757 Li\n0.730683 0.272161 0.265462 Li\n0.730683 0.727838 0.765462 Li\n0.230771 0.392285 0.419726 P\n0.230771 0.607715 0.919726 P\n0.730777 0.827390 0.089204 P\n0.730776 0.172609 0.589204 P\n0.230774 0.184870 0.731806 W\n0.230775 0.815129 0.231806 W\n0.730764 0.924296 0.946863 O\n0.730764 0.075704 0.446863 O\n0.730771 0.479641 0.608093 O\n0.730772 0.520358 0.108093 O\n0.523224 0.029607 0.667838 O\n0.523225 0.970392 0.167838 O\n0.436234 0.451405 0.850485 O\n0.230782 0.558573 0.069162 O\n0.230764 0.913608 0.889281 O\n0.230764 0.086391 0.389281 O\n0.230781 0.441426 0.569162 O\n0.938333 0.970389 0.167829 O\n0.025316 0.451370 0.850496 O\n0.025316 0.548629 0.350496 O\n0.436234 0.548594 0.350485 O\n0.938333 0.029611 0.667829 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"P",
"W",
"O"
],
"chemical_system": "Li-O-P-W",
"density": 4.484669352926738,
"density_atomic": 0.09056667005154409,
"volume": 287.081328983418,
"volume_molar": 6.649400664253888,
"formula_full": "Li4 P4 W2 O16",
"formula_reduced": "Li2P2WO8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.091003769230769,
"spacegroup": 26
},
{
"id": "jvasp-112709",
"created_at": "2022-09-04T14:38:42.492501Z",
"updated_at": "2022-09-04T14:38:42.492519Z",
"structure_string": "Ba2 Sr1 P2 O8\n1.0\n5.182405 -0.006301 5.635484\n2.193079 4.695504 5.635484\n-0.009911 -0.006301 7.656102\nBa Sr P O\n2 1 2 8\ndirect\n0.206747 0.206747 0.206747 Ba\n0.793252 0.793252 0.793252 Ba\n0.000000 0.000000 0.000000 Sr\n0.403578 0.403578 0.403578 P\n0.596421 0.596421 0.596421 P\n0.276295 0.734287 0.276294 O\n0.276295 0.276295 0.734287 O\n0.734287 0.276295 0.276294 O\n0.723705 0.265713 0.723705 O\n0.723705 0.723705 0.265712 O\n0.265713 0.723705 0.723705 O\n0.329850 0.329850 0.329850 O\n0.670149 0.670150 0.670149 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"P",
"O"
],
"chemical_system": "Ba-O-P-Sr",
"density": 4.909446596343346,
"density_atomic": 0.06960128213579711,
"volume": 186.77816846298987,
"volume_molar": 8.652341702916292,
"formula_full": "Ba2 Sr1 P2 O8",
"formula_reduced": "Ba2Sr(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.048895173076924,
"spacegroup": 166
},
{
"id": "jvasp-19261",
"created_at": "2022-09-04T14:38:32.328472Z",
"updated_at": "2022-09-04T14:38:32.328493Z",
"structure_string": "Mg4 Nb4 Sn2 O16\n1.0\n-5.289951 -0.000075 0.000193\n-0.000095 -6.054875 0.000027\n0.188699 3.026279 10.407649\nMg Nb Sn O\n4 4 2 16\ndirect\n0.754601 0.408464 0.538077 Mg\n0.743949 0.871332 0.463728 Mg\n0.243942 0.594213 0.463738 Mg\n0.254589 0.131350 0.538083 Mg\n0.726282 0.304013 0.254260 Nb\n0.772311 0.050510 0.747536 Nb\n0.272300 0.698658 0.747553 Nb\n0.226276 0.952182 0.254275 Nb\n0.249331 0.298294 0.000776 Sn\n0.749272 0.704415 0.001018 Sn\n0.882980 0.553125 0.392995 O\n0.615561 0.160969 0.608812 O\n0.115564 0.449561 0.608823 O\n0.382983 0.841701 0.392998 O\n0.051266 0.919701 0.615424 O\n0.447280 0.305260 0.386357 O\n0.106939 0.683605 0.139695 O\n0.968375 0.838862 0.837284 O\n0.891647 0.319113 0.862086 O\n0.607005 0.458053 0.139662 O\n0.530327 0.002540 0.164558 O\n0.947299 0.082976 0.386391 O\n0.468313 0.000104 0.837278 O\n0.030259 0.163875 0.164553 O\n0.391583 0.544571 0.862126 O\n0.551274 0.697417 0.615454 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mg",
"Nb",
"Sn",
"O"
],
"chemical_system": "Mg-Nb-O-Sn",
"density": 4.793242161477617,
"density_atomic": 0.07799432962513393,
"volume": 333.3575674663074,
"volume_molar": 7.72125459497423,
"formula_full": "Mg4 Nb4 Sn2 O16",
"formula_reduced": "Mg2Nb2SnO8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.538548969230769,
"spacegroup": 15
}
]
}