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=78",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=76",
"results": [
{
"id": "jvasp-35526",
"created_at": "2022-09-04T14:37:44.918582Z",
"updated_at": "2022-09-04T14:37:44.918607Z",
"structure_string": "Y2 Cr2 C3\n1.0\n-0.000000 -3.399507 0.000000\n-4.990917 1.699754 1.441308\n-0.030551 0.000000 -5.556916\nY Cr C\n2 2 3\ndirect\n0.394782 0.789562 0.683260 Y\n0.605220 0.210438 0.316740 Y\n0.156981 0.313961 0.889972 Cr\n0.843022 0.686039 0.110029 Cr\n0.712186 0.424369 0.771598 C\n0.287817 0.575631 0.228403 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"Cr",
"C"
],
"chemical_system": "C-Cr-Y",
"density": 5.588986785567995,
"density_atomic": 0.07412742923416868,
"volume": 94.43198114812517,
"volume_molar": 8.124038324566802,
"formula_full": "Y2 Cr2 C3",
"formula_reduced": "Y2Cr2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.399706528571429,
"spacegroup": 12
},
{
"id": "jvasp-16126",
"created_at": "2022-09-04T14:36:43.665258Z",
"updated_at": "2022-09-04T14:36:43.665276Z",
"structure_string": "Y2 Al3 Si2\n1.0\n4.060429 0.000000 -0.000000\n-2.030214 5.022469 -0.996421\n-0.000000 0.022390 6.661954\nY Al Si\n2 3 2\ndirect\n0.380403 0.760804 0.678825 Y\n0.619598 0.239196 0.321175 Y\n0.694599 0.389197 0.866233 Al\n0.000000 0.000000 0.000000 Al\n0.305402 0.610803 0.133767 Al\n0.906576 0.813148 0.360822 Si\n0.093426 0.186852 0.639178 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"Al",
"Si"
],
"chemical_system": "Al-Si-Y",
"density": 3.846618662583993,
"density_atomic": 0.05148938982856668,
"volume": 135.95033895927722,
"volume_molar": 11.695886822606848,
"formula_full": "Y2 Al3 Si2",
"formula_reduced": "Y2Al3Si2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.715046642857143,
"spacegroup": 12
},
{
"id": "jvasp-86735",
"created_at": "2022-09-04T14:36:06.131351Z",
"updated_at": "2022-09-04T14:36:06.131378Z",
"structure_string": "Tb2 B2 C3\n1.0\n3.287461 0.000000 -0.818806\n0.000000 3.708363 0.000000\n-0.042094 0.000000 6.839889\nTb B C\n2 2 3\ndirect\n0.863692 0.000000 0.727383 Tb\n0.136308 0.000000 0.272617 Tb\n0.716779 0.500000 0.433557 B\n0.283222 0.500000 0.566443 B\n0.399418 0.500000 0.798833 C\n0.500000 0.500000 -0.000000 C\n0.600583 0.500000 0.201167 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tb",
"B",
"C"
],
"chemical_system": "B-C-Tb",
"density": 7.489259765209952,
"density_atomic": 0.08407605856681317,
"volume": 83.2579466654859,
"volume_molar": 7.162729631544696,
"formula_full": "Tb2 B2 C3",
"formula_reduced": "Tb2B2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.817214566666667,
"spacegroup": 65
},
{
"id": "jvasp-46065",
"created_at": "2022-09-04T14:38:10.636276Z",
"updated_at": "2022-09-04T14:38:10.636292Z",
"structure_string": "K8 Mg8 O12\n1.0\n6.443983 -0.000000 -0.000000\n-0.000000 6.443983 -0.000000\n-0.000000 0.000000 10.306069\nK Mg O\n8 8 12\ndirect\n0.932411 0.735835 0.360195 K\n0.264165 0.067589 0.139805 K\n0.235835 0.567589 0.610195 K\n0.567589 0.235835 0.389805 K\n0.432411 0.764165 0.889805 K\n0.764165 0.432411 0.110195 K\n0.735835 0.932411 0.639805 K\n0.067589 0.264165 0.860195 K\n0.072138 0.222335 0.382513 Mg\n0.777664 0.927862 0.117487 Mg\n0.427862 0.722335 0.367487 Mg\n0.722335 0.427862 0.632513 Mg\n0.277665 0.572138 0.132513 Mg\n0.222335 0.072138 0.617487 Mg\n0.927862 0.777664 0.882513 Mg\n0.572138 0.277665 0.867487 Mg\n0.618670 0.618670 0.500000 O\n0.970405 0.263170 0.565587 O\n0.381329 0.381329 0.000000 O\n0.236830 0.470405 0.315587 O\n0.263170 0.970405 0.434414 O\n0.118671 0.881329 0.750000 O\n0.529595 0.763170 0.184414 O\n0.470405 0.236830 0.684414 O\n0.881329 0.118671 0.250000 O\n0.736830 0.029595 0.934414 O\n0.763170 0.529595 0.815587 O\n0.029595 0.736830 0.065587 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Mg",
"O"
],
"chemical_system": "K-Mg-O",
"density": 2.713067661436921,
"density_atomic": 0.06542688042866313,
"volume": 427.95865883486886,
"volume_molar": 9.204383153444278,
"formula_full": "K8 Mg8 O12",
"formula_reduced": "K2Mg2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.2804135142857144,
"spacegroup": 96
},
{
"id": "jvasp-11793",
"created_at": "2022-09-04T14:37:04.205931Z",
"updated_at": "2022-09-04T14:37:04.205962Z",
"structure_string": "K4 Mn4 O6\n1.0\n0.000000 6.013595 -0.001336\n6.418357 0.000000 0.000000\n0.000000 -2.733185 -5.856814\nK Mn O\n4 4 6\ndirect\n0.816592 0.361418 0.072760 K\n0.816592 0.138582 0.572760 K\n0.183408 0.638582 0.927240 K\n0.183408 0.861418 0.427240 K\n0.331222 0.119552 0.071595 Mn\n0.331222 0.380448 0.571594 Mn\n0.668778 0.880448 0.928405 Mn\n0.668778 0.619553 0.428406 Mn\n0.000000 0.500000 0.500000 O\n0.588406 0.627488 0.713994 O\n0.411595 0.127488 0.786006 O\n0.411594 0.372512 0.286006 O\n0.000000 0.000000 0.000000 O\n0.588405 0.872512 0.213994 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 3.46782384865378,
"density_atomic": 0.06192464622930203,
"volume": 226.08122698285777,
"volume_molar": 9.724949800601996,
"formula_full": "K4 Mn4 O6",
"formula_reduced": "K2Mn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.0525687118226603,
"spacegroup": 14
},
{
"id": "jvasp-47291",
"created_at": "2022-09-04T14:38:07.474974Z",
"updated_at": "2022-09-04T14:38:07.474987Z",
"structure_string": "Cr6 O4 F4\n1.0\n0.000000 5.499945 -0.023310\n6.412336 0.000000 0.000000\n0.000000 -2.653695 -5.251576\nCr O F\n6 4 4\ndirect\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.247103 0.877582 0.540360 Cr\n0.252899 0.377581 0.459641 Cr\n0.747103 0.622419 0.540360 Cr\n0.752899 0.122419 0.459641 Cr\n0.474190 0.622262 0.678558 O\n0.025812 0.122262 0.321442 O\n0.974190 0.877739 0.678558 O\n0.525812 0.377738 0.321442 O\n0.130691 0.379788 0.757312 F\n0.630691 0.120212 0.757312 F\n0.369311 0.879789 0.242688 F\n0.869311 0.620212 0.242688 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 4.04355381228676,
"density_atomic": 0.07542835875877416,
"volume": 185.60658392121596,
"volume_molar": 7.983921245402252,
"formula_full": "Cr6 O4 F4",
"formula_reduced": "Cr3(OF)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.8305228235714286,
"spacegroup": 14
},
{
"id": "jvasp-2658",
"created_at": "2022-09-04T14:36:39.763337Z",
"updated_at": "2022-09-04T14:36:39.763373Z",
"structure_string": "Rb2 Sn2 O3\n1.0\n5.293205 -0.043753 3.054198\n1.743225 4.998110 3.054198\n-0.062139 -0.043753 6.110834\nRb Sn O\n2 2 3\ndirect\n0.500000 0.500001 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.238637 0.238637 0.238637 Sn\n0.761363 0.761364 0.761363 Sn\n0.000000 0.500000 -0.000000 O\n-0.000000 0.000000 0.500000 O\n0.499999 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"O"
],
"chemical_system": "O-Rb-Sn",
"density": 4.6329601686589275,
"density_atomic": 0.04279626201544813,
"volume": 163.5656870563419,
"volume_molar": 14.071651299420013,
"formula_full": "Rb2 Sn2 O3",
"formula_reduced": "Rb2Sn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.7815548428571428,
"spacegroup": 166
},
{
"id": "jvasp-48571",
"created_at": "2022-09-04T14:37:03.802292Z",
"updated_at": "2022-09-04T14:37:03.802310Z",
"structure_string": "V4 O6 F4\n1.0\n4.714419 0.346381 -0.085430\n-0.295152 5.318037 0.115856\n-2.196674 -1.851403 5.936113\nV O F\n4 6 4\ndirect\n0.901334 0.298598 0.803628 V\n0.593818 0.232682 0.195581 V\n0.406183 0.767319 0.804419 V\n0.098667 0.701403 0.196372 V\n0.864403 0.369867 0.097293 O\n0.720150 0.866705 0.086583 O\n0.449811 0.519552 0.281179 O\n0.550191 0.480449 0.718821 O\n0.279851 0.133296 0.913417 O\n0.135598 0.630134 0.902707 O\n0.901189 0.241716 0.497728 F\n0.670594 0.967398 0.704498 F\n0.329408 0.032603 0.295502 F\n0.098813 0.758285 0.502272 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.178876719560674,
"density_atomic": 0.09376322976995742,
"volume": 149.31226275319418,
"volume_molar": 6.422710453527432,
"formula_full": "V4 O6 F4",
"formula_reduced": "V2O3F2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.165647066428572,
"spacegroup": 2
},
{
"id": "jvasp-52551",
"created_at": "2022-09-04T14:37:51.782171Z",
"updated_at": "2022-09-04T14:37:51.782192Z",
"structure_string": "Ba4 Na4 O6\n1.0\n0.000000 5.758842 -0.032581\n5.614648 0.000000 0.000000\n0.000000 -2.323149 -8.177828\nBa Na O\n4 4 6\ndirect\n0.692759 0.469923 0.333294 Ba\n0.807241 0.969923 0.666706 Ba\n0.192759 0.030077 0.333294 Ba\n0.307241 0.530077 0.666706 Ba\n0.184004 0.639358 0.072340 Na\n0.684004 0.860643 0.072340 Na\n0.315995 0.139358 0.927660 Na\n0.815995 0.360643 0.927660 Na\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.667196 -0.022548 0.332745 O\n0.167196 0.522549 0.332745 O\n0.832804 0.477452 0.667255 O\n0.332804 0.022548 0.667255 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Na",
"O"
],
"chemical_system": "Ba-Na-O",
"density": 4.622519084390958,
"density_atomic": 0.05286094598703262,
"volume": 264.8458089159879,
"volume_molar": 11.392419578486729,
"formula_full": "Ba4 Na4 O6",
"formula_reduced": "Ba2Na2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.5913394285714281,
"spacegroup": 14
},
{
"id": "jvasp-17206",
"created_at": "2022-09-04T14:38:15.133287Z",
"updated_at": "2022-09-04T14:38:15.133300Z",
"structure_string": "Sm2 Mo2 C3\n1.0\n3.310803 -0.000000 -1.003513\n-0.475750 5.579537 -1.569601\n-0.007468 0.013873 5.938640\nSm Mo C\n2 2 3\ndirect\n0.389305 0.175184 0.778613 Sm\n0.610693 0.824816 0.221387 Sm\n0.152385 0.381578 0.304771 Mo\n0.847613 0.618422 0.695230 Mo\n-0.000000 0.500000 0.000000 C\n0.275246 0.733766 0.550492 C\n0.724753 0.266234 0.449508 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sm",
"Mo",
"C"
],
"chemical_system": "C-Mo-Sm",
"density": 7.999043602582031,
"density_atomic": 0.0637871907054858,
"volume": 109.73990110835825,
"volume_molar": 9.440987592328764,
"formula_full": "Sm2 Mo2 C3",
"formula_reduced": "Sm2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.352962792857142,
"spacegroup": 12
},
{
"id": "jvasp-52533",
"created_at": "2022-09-04T14:38:07.371115Z",
"updated_at": "2022-09-04T14:38:07.371140Z",
"structure_string": "Ba6 Br4 O4\n1.0\n0.000000 7.471254 -0.028817\n8.215894 0.000000 0.000000\n0.000000 -3.224382 -7.065624\nBa Br O\n6 4 4\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.405759 0.879085 0.769095 Ba\n0.594241 0.379085 0.730905 Ba\n0.405759 0.620915 0.269095 Ba\n0.594241 0.120915 0.230905 Ba\n0.185127 0.346404 0.926190 Br\n0.185127 0.153596 0.426190 Br\n0.814872 0.846404 0.573810 Br\n0.814872 0.653596 0.073810 Br\n0.341341 0.612496 0.567277 O\n0.658659 0.112497 0.932723 O\n0.341341 0.887503 0.067277 O\n0.658659 0.387503 0.432723 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.615309406742133,
"density_atomic": 0.032222959847103196,
"volume": 434.47281275306506,
"volume_molar": 18.688974534229146,
"formula_full": "Ba6 Br4 O4",
"formula_reduced": "Ba3(BrO)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.3384889214285713,
"spacegroup": 14
},
{
"id": "jvasp-5587",
"created_at": "2022-09-04T14:38:37.866190Z",
"updated_at": "2022-09-04T14:38:37.866216Z",
"structure_string": "U3 Si2 C2\n1.0\n3.596336 -0.000000 -0.668751\n-0.124357 3.594185 -0.668751\n-0.207040 -0.214328 8.890968\nU Si C\n3 2 2\ndirect\n0.826377 0.826378 0.652754 U\n0.173623 0.173623 0.347246 U\n0.000000 0.000000 0.000000 U\n0.584151 0.584151 0.168302 Si\n0.415849 0.415849 0.831699 Si\n0.695380 0.695380 0.390759 C\n0.304621 0.304621 0.609242 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"U",
"Si",
"C"
],
"chemical_system": "C-Si-U",
"density": 11.58046481294881,
"density_atomic": 0.061461305719733086,
"volume": 113.89279674467677,
"volume_molar": 9.798263622093048,
"formula_full": "U3 Si2 C2",
"formula_reduced": "U3(SiC)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.868032171428571,
"spacegroup": 139
}
]
}