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=1063",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1061",
"results": [
{
"id": "jvasp-56900",
"created_at": "2022-09-04T14:36:49.371254Z",
"updated_at": "2022-09-04T14:36:49.371282Z",
"structure_string": "Ca1 Si2 Pd2\n1.0\n3.944012 -0.000000 -1.563641\n-0.619920 3.894988 -1.563641\n0.008263 0.009682 5.776704\nCa Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.378559 0.378560 0.757120 Si\n0.621439 0.621440 0.242879 Si\n0.749999 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Pd"
],
"chemical_system": "Ca-Pd-Si",
"density": 5.775959551682536,
"density_atomic": 0.056268002834651526,
"volume": 88.86044906717126,
"volume_molar": 10.702602645586321,
"formula_full": "Ca1 Si2 Pd2",
"formula_reduced": "Ca(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.797085804,
"spacegroup": 139
},
{
"id": "jvasp-16060",
"created_at": "2022-09-04T14:36:42.705316Z",
"updated_at": "2022-09-04T14:36:42.705327Z",
"structure_string": "Tm1 Si2 Rh2\n1.0\n3.792054 -0.000000 -1.429824\n-0.539126 3.753534 -1.429824\n-0.006844 -0.007898 5.725236\nTm Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.620676 0.620676 0.241355 Si\n0.379323 0.379322 0.758647 Si\n0.249999 0.749999 0.500001 Rh\n0.749999 0.249999 0.500001 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Tm",
"density": 8.790029366665888,
"density_atomic": 0.06142121475180612,
"volume": 81.40509789987462,
"volume_molar": 9.804659162692507,
"formula_full": "Tm1 Si2 Rh2",
"formula_reduced": "Tm(SiRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.64558149,
"spacegroup": 139
},
{
"id": "jvasp-8507",
"created_at": "2022-09-04T14:36:50.200631Z",
"updated_at": "2022-09-04T14:36:50.200662Z",
"structure_string": "Ce1 Ni2 Sn2\n1.0\n4.116523 0.000000 -1.652757\n-0.663571 4.062688 -1.652757\n0.043178 0.050802 6.060433\nCe Ni Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n0.636345 0.636345 0.272688 Sn\n0.363656 0.363655 0.727311 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Sn"
],
"chemical_system": "Ce-Ni-Sn",
"density": 8.053541770916699,
"density_atomic": 0.048997098312868644,
"volume": 102.04685934813399,
"volume_molar": 12.290811022207697,
"formula_full": "Ce1 Ni2 Sn2",
"formula_reduced": "Ce(NiSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.99638074,
"spacegroup": 139
},
{
"id": "jvasp-102622",
"created_at": "2022-09-04T14:36:50.301397Z",
"updated_at": "2022-09-04T14:36:50.301418Z",
"structure_string": "Nd4 Ge4 Ru2\n1.0\n5.328305 -0.004342 2.763368\n3.558079 3.966223 2.763368\n-0.007386 -0.003293 10.624468\nNd Ge Ru\n4 4 2\ndirect\n0.003835 0.003835 0.325988 Nd\n-0.003836 -0.003835 0.674012 Nd\n0.815132 0.815132 0.108552 Nd\n0.184867 0.184868 0.891449 Nd\n0.654473 0.654474 0.431558 Ge\n0.345526 0.345527 0.568443 Ge\n0.505848 0.505849 0.127784 Ge\n0.494150 0.494152 0.872217 Ge\n0.723957 0.723958 0.624038 Ru\n0.276042 0.276042 0.375963 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Ru"
],
"chemical_system": "Ge-Nd-Ru",
"density": 7.901682996157799,
"density_atomic": 0.04448580985895173,
"volume": 224.79078231252507,
"volume_molar": 13.537217326365443,
"formula_full": "Nd4 Ge4 Ru2",
"formula_reduced": "Nd2Ge2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8474090800000005,
"spacegroup": 12
},
{
"id": "jvasp-3003",
"created_at": "2022-09-04T14:36:41.332426Z",
"updated_at": "2022-09-04T14:36:41.332452Z",
"structure_string": "Ca1 Zn2 P2\n1.0\n2.023751 -3.505240 0.000000\n2.023751 3.505240 0.000000\n0.000000 0.000000 6.821943\nCa Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.635146 Zn\n0.666667 0.333333 0.364853 Zn\n0.666667 0.333333 0.740273 P\n0.333333 0.666667 0.259727 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"P"
],
"chemical_system": "Ca-P-Zn",
"density": 3.994848773741128,
"density_atomic": 0.05166031939693593,
"volume": 96.78608375573766,
"volume_molar": 11.657188399724033,
"formula_full": "Ca1 Zn2 P2",
"formula_reduced": "Ca(ZnP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.349030444,
"spacegroup": 164
},
{
"id": "jvasp-18427",
"created_at": "2022-09-04T14:36:41.313206Z",
"updated_at": "2022-09-04T14:36:41.313223Z",
"structure_string": "Co1 H2 O2\n1.0\n1.572847 -2.724251 0.000000\n1.572847 2.724251 -0.000000\n0.000000 0.000000 4.595904\nCo H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.333334 0.666668 0.443708 H\n0.666668 0.333334 0.556291 H\n0.666668 0.333334 0.769133 O\n0.333334 0.666668 0.230866 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 3.9188083184784097,
"density_atomic": 0.1269508061022988,
"volume": 39.385334788429205,
"volume_molar": 4.74368059951291,
"formula_full": "Co1 H2 O2",
"formula_reduced": "Co(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.65418758,
"spacegroup": 164
},
{
"id": "jvasp-103737",
"created_at": "2022-09-04T14:36:49.444300Z",
"updated_at": "2022-09-04T14:36:49.444326Z",
"structure_string": "Ca1 Ge2 N2\n1.0\n3.200366 -0.000079 0.000126\n-1.600155 2.771437 0.000162\n-0.000263 -0.000370 8.729108\nCa Ge N\n1 2 2\ndirect\n0.000007 -0.000007 0.500000 Ca\n0.666697 0.333317 0.192874 Ge\n0.333340 0.666648 0.807126 Ge\n0.666648 0.333285 0.680526 N\n0.333365 0.666706 0.319474 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"N"
],
"chemical_system": "Ca-Ge-N",
"density": 4.576326128391492,
"density_atomic": 0.06458053918745273,
"volume": 77.42270446963757,
"volume_molar": 9.32500848672077,
"formula_full": "Ca1 Ge2 N2",
"formula_reduced": "Ca(GeN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.356259764,
"spacegroup": 164
},
{
"id": "jvasp-106673",
"created_at": "2022-09-04T14:36:51.131520Z",
"updated_at": "2022-09-04T14:36:51.131556Z",
"structure_string": "Ce4 Y2 Si4\n1.0\n7.551592 0.000000 0.000000\n0.000000 7.551592 0.000000\n0.000000 0.000000 4.337987\nCe Y Si\n4 2 4\ndirect\n0.677980 0.177980 0.500000 Ce\n0.322019 0.822019 0.500000 Ce\n0.177980 0.322019 0.500000 Ce\n0.822019 0.677980 0.500000 Ce\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 -0.000000 Y\n0.116317 0.616317 -0.000000 Si\n0.883683 0.383683 -0.000000 Si\n0.616317 0.883683 -0.000000 Si\n0.383683 0.116317 -0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Si"
],
"chemical_system": "Ce-Si-Y",
"density": 5.709764962943778,
"density_atomic": 0.04042357492119708,
"volume": 247.38039669906232,
"volume_molar": 14.897595701863926,
"formula_full": "Ce4 Y2 Si4",
"formula_reduced": "Ce2YSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.7539907299999995,
"spacegroup": 127
},
{
"id": "jvasp-102237",
"created_at": "2022-09-04T14:36:42.342727Z",
"updated_at": "2022-09-04T14:36:42.342755Z",
"structure_string": "Ba1 Fe2 N2\n1.0\n3.346586 0.000138 -0.000011\n-1.673388 2.898150 0.000036\n-0.000023 -0.000079 6.739398\nBa Fe N\n1 2 2\ndirect\n0.000001 -0.000008 0.500003 Ba\n0.666663 0.333322 0.105396 Fe\n0.333339 0.666659 0.894602 Fe\n0.666670 0.333325 0.826820 N\n0.333332 0.666655 0.173181 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"N"
],
"chemical_system": "Ba-Fe-N",
"density": 7.037561969314594,
"density_atomic": 0.07649194601220898,
"volume": 65.36635895237838,
"volume_molar": 7.872908291598176,
"formula_full": "Ba1 Fe2 N2",
"formula_reduced": "Ba(FeN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5633786940000003,
"spacegroup": 164
},
{
"id": "jvasp-30364",
"created_at": "2022-09-04T14:36:50.341443Z",
"updated_at": "2022-09-04T14:36:50.341467Z",
"structure_string": "W2 Br4 O4\n1.0\n7.600835 0.000000 0.000000\n0.000000 3.874598 0.000000\n0.000000 0.000000 8.549969\nW Br O\n2 4 4\ndirect\n0.024569 0.948964 0.000000 W\n0.524568 0.051036 0.000000 W\n0.040831 0.002579 0.290394 Br\n0.040831 0.002579 0.709606 Br\n0.540830 0.997421 0.290394 Br\n0.540830 0.997421 0.709606 Br\n0.033441 0.485312 0.000000 O\n0.283209 0.003395 0.000000 O\n0.533440 0.514689 0.000000 O\n0.783209 0.996606 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"W",
"Br",
"O"
],
"chemical_system": "Br-O-W",
"density": 4.9545736860739105,
"density_atomic": 0.03971435422002825,
"volume": 251.79812680818875,
"volume_molar": 15.163637627432422,
"formula_full": "W2 Br4 O4",
"formula_reduced": "W(BrO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.392569042,
"spacegroup": 26
},
{
"id": "jvasp-15320",
"created_at": "2022-09-04T14:36:42.373267Z",
"updated_at": "2022-09-04T14:36:42.373281Z",
"structure_string": "Ba1 As2 Ru2\n1.0\n3.995822 -0.000000 -1.284075\n-0.412644 3.974458 -1.284075\n-0.002213 -0.002455 6.852302\nBa As Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.648442 0.648441 0.296881 As\n0.351559 0.351558 0.703118 As\n0.250001 0.750000 0.499999 Ru\n0.750000 0.250000 0.499999 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"Ru"
],
"chemical_system": "As-Ba-Ru",
"density": 7.468155834754864,
"density_atomic": 0.04595682418847108,
"volume": 108.797770261382,
"volume_molar": 13.10390973776369,
"formula_full": "Ba1 As2 Ru2",
"formula_reduced": "Ba(AsRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.7177120940000004,
"spacegroup": 139
},
{
"id": "jvasp-2949",
"created_at": "2022-09-04T14:36:50.384586Z",
"updated_at": "2022-09-04T14:36:50.384606Z",
"structure_string": "Ba2 Zn1 N2\n1.0\n4.006013 0.000000 -1.214143\n-0.367983 3.989077 -1.214143\n-0.017365 -0.019040 7.158613\nBa Zn N\n2 1 2\ndirect\n0.654683 0.654684 0.309368 Ba\n0.345316 0.345317 0.690632 Ba\n0.000000 0.000000 0.000000 Zn\n0.858479 0.858480 0.716960 N\n0.141520 0.141520 0.283040 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"N"
],
"chemical_system": "Ba-N-Zn",
"density": 5.351519899023403,
"density_atomic": 0.043778419538711394,
"volume": 114.21152368414563,
"volume_molar": 13.755957440799975,
"formula_full": "Ba2 Zn1 N2",
"formula_reduced": "Ba2ZnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6345197679999997,
"spacegroup": 139
}
]
}