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=energy_above_hull&page=4494",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4492",
"results": [
{
"id": "jvasp-62495",
"created_at": "2022-09-04T14:36:18.240234Z",
"updated_at": "2022-09-04T14:36:18.240250Z",
"structure_string": "B4 C2 N2\n1.0\n2.511462 0.000000 0.000000\n0.000000 2.552659 0.000000\n0.000000 0.000000 7.902967\nB C N\n4 2 2\ndirect\n0.250000 0.000000 0.688150 B\n0.749999 0.000000 0.311851 B\n0.250000 0.500000 0.085025 B\n0.749999 0.500000 0.914975 B\n0.250000 0.500000 0.551834 C\n0.749999 0.500000 0.448166 C\n0.250000 0.000000 0.195032 N\n0.749999 0.000000 0.804968 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.1227397634797973,
"density_atomic": 0.15789937252797684,
"volume": 50.66517917025001,
"volume_molar": 3.8139105074233197,
"formula_full": "B4 C2 N2",
"formula_reduced": "B2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.894097104166667,
"spacegroup": 51
},
{
"id": "jvasp-91700",
"created_at": "2022-09-04T14:35:48.248118Z",
"updated_at": "2022-09-04T14:35:48.248134Z",
"structure_string": "B4 C2 N2\n1.0\n2.511447 0.000000 0.000000\n0.000000 2.552589 0.000000\n0.000000 0.000000 7.903150\nB C N\n4 2 2\ndirect\n0.250000 0.000000 0.688146 B\n0.750001 0.000000 0.311854 B\n0.250000 0.500000 0.085029 B\n0.750001 0.500000 0.914971 B\n0.250000 0.500000 0.551832 C\n0.750001 0.500000 0.448168 C\n0.250000 0.000000 0.195038 N\n0.750001 0.000000 0.804962 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.1227717398872135,
"density_atomic": 0.15790098939491073,
"volume": 50.66466037139249,
"volume_molar": 3.8138714539264935,
"formula_full": "B4 C2 N2",
"formula_reduced": "B2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.894097104166667,
"spacegroup": 51
},
{
"id": "jvasp-38533",
"created_at": "2022-09-04T14:37:53.485131Z",
"updated_at": "2022-09-04T14:37:53.485161Z",
"structure_string": "Si12 H1 N8\n1.0\n6.718998 0.000000 0.000000\n0.000000 6.718998 0.000000\n0.000000 -0.000000 6.718950\nSi H N\n12 1 8\ndirect\n0.500000 0.178166 0.182367 Si\n0.821835 0.821835 0.504199 Si\n0.178166 0.821835 0.504199 Si\n0.821835 0.178166 0.504199 Si\n0.178166 0.500000 0.182367 Si\n0.821832 0.500000 0.826035 Si\n0.178166 0.178166 0.504199 Si\n0.821834 0.500000 0.182367 Si\n0.500000 0.178168 0.826035 Si\n0.500000 0.821834 0.182367 Si\n0.500000 0.821832 0.826035 Si\n0.178168 0.500000 0.826035 Si\n0.500000 0.500000 0.504355 H\n0.722137 0.277864 0.726337 N\n0.722130 0.277870 0.282070 N\n0.722137 0.722137 0.726337 N\n0.277870 0.722130 0.282070 N\n0.277864 0.277864 0.726337 N\n0.277864 0.722137 0.726337 N\n0.277870 0.277870 0.282070 N\n0.722130 0.722130 0.282070 N\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Si",
"H",
"N"
],
"chemical_system": "H-N-Si",
"density": 2.46397135665709,
"density_atomic": 0.0692323162765236,
"volume": 303.3265551324767,
"volume_molar": 8.698453386922264,
"formula_full": "Si12 H1 N8",
"formula_reduced": "Si12HN8",
"formula_anonymous": "AB8C12",
"energy_above_hull": 4.894310914285714,
"spacegroup": 221
},
{
"id": "jvasp-94933",
"created_at": "2022-09-04T14:35:58.001631Z",
"updated_at": "2022-09-04T14:35:58.001656Z",
"structure_string": "Er2 Cr2 C3\n1.0\n-0.000000 -3.344577 0.000000\n-4.987427 1.672289 1.462235\n-0.028126 0.000000 -5.504733\nEr Cr C\n2 2 3\ndirect\n0.393339 0.786677 0.183608 Er\n0.606662 0.213325 0.816391 Er\n0.155967 0.311934 0.386890 Cr\n0.844035 0.688067 0.613110 Cr\n0.000000 0.000000 0.500000 C\n0.716128 0.432256 0.266683 C\n0.283873 0.567746 0.733316 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"Cr",
"C"
],
"chemical_system": "C-Cr-Er",
"density": 8.568798520935212,
"density_atomic": 0.07611915228313486,
"volume": 91.9610871908112,
"volume_molar": 7.9114658786528285,
"formula_full": "Er2 Cr2 C3",
"formula_reduced": "Er2Cr2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.895603542857143,
"spacegroup": 12
},
{
"id": "jvasp-123478",
"created_at": "2022-09-04T14:38:51.182025Z",
"updated_at": "2022-09-04T14:38:51.182051Z",
"structure_string": "Dy1 U3\n1.0\n2.923111 0.000000 0.000000\n0.000000 5.916605 0.000000\n0.000000 0.000000 5.147287\nDy U\n1 3\ndirect\n0.000000 0.108535 0.750000 Dy\n0.500000 0.407955 0.250000 U\n0.500000 0.606904 0.750000 U\n0.000000 0.876607 0.250000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"U"
],
"chemical_system": "Dy-U",
"density": 16.351128132554212,
"density_atomic": 0.04493282495073414,
"volume": 89.02177871936017,
"volume_molar": 13.402542053838987,
"formula_full": "Dy1 U3",
"formula_reduced": "DyU3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.896076125,
"spacegroup": 25
},
{
"id": "jvasp-103874",
"created_at": "2022-09-04T14:36:48.957563Z",
"updated_at": "2022-09-04T14:36:48.957584Z",
"structure_string": "Sn1 H10 C10 O4\n1.0\n4.572614 0.015582 1.064623\n1.242291 6.332212 -0.053766\n0.046925 -0.248806 8.526456\nSn H C O\n1 10 10 4\ndirect\n0.532878 0.226721 0.837080 Sn\n0.232665 0.911775 0.916031 H\n0.605735 0.843805 0.946272 H\n0.319341 0.024362 0.090956 H\n0.833064 0.541675 0.758062 H\n0.459975 0.609610 0.727839 H\n0.746361 0.429037 0.583166 H\n0.681741 0.068495 0.387777 H\n0.986967 0.810165 0.157663 H\n0.383949 0.385013 0.286318 H\n0.078740 0.643327 0.516439 H\n0.885975 0.430133 0.069145 C\n0.277215 0.678607 0.436875 C\n0.447983 0.534643 0.309442 C\n0.704915 0.582150 0.208627 C\n0.788485 0.774894 0.237227 C\n0.660946 0.485862 0.710973 C\n0.360792 0.871347 0.465479 C\n0.179771 0.023343 0.604987 C\n0.404774 0.967563 0.963145 C\n0.617710 0.918862 0.364655 C\n0.779477 0.272436 0.030605 O\n0.140116 0.465876 -0.004091 O\n0.286267 0.181041 0.643523 O\n0.925667 0.987567 0.678258 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.111999756896188,
"density_atomic": 0.10162195364492413,
"volume": 246.00983452209704,
"volume_molar": 5.926023407345503,
"formula_full": "Sn1 H10 C10 O4",
"formula_reduced": "SnH10(C5O2)2",
"formula_anonymous": "AB4C10D10",
"energy_above_hull": 4.897765028,
"spacegroup": 2
},
{
"id": "jvasp-79402",
"created_at": "2022-09-04T14:36:48.995461Z",
"updated_at": "2022-09-04T14:36:48.995474Z",
"structure_string": "Ti2 Ir1 W1\n1.0\n-0.000000 3.127384 3.127384\n3.127384 -0.000000 3.127384\n3.127384 3.127384 0.000000\nTi Ir W\n2 1 1\ndirect\n0.499998 0.499998 0.499998 Ti\n0.000000 0.000000 0.000000 Ti\n0.249999 0.249999 0.249999 Ir\n0.749999 0.749999 0.749999 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ir",
"W"
],
"chemical_system": "Ir-Ti-W",
"density": 12.806342831368204,
"density_atomic": 0.06538624024448778,
"volume": 61.17495034189873,
"volume_molar": 9.210104048623107,
"formula_full": "Ti2 Ir1 W1",
"formula_reduced": "Ti2IrW",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.897911941666667,
"spacegroup": 225
},
{
"id": "jvasp-114673",
"created_at": "2022-09-04T14:38:43.181012Z",
"updated_at": "2022-09-04T14:38:43.181032Z",
"structure_string": "H1 C1 N1\n1.0\n2.824531 0.000000 -0.000000\n-1.412266 2.446116 0.000000\n0.000000 0.000000 2.824786\nH C N\n1 1 1\ndirect\n0.333332 0.666667 0.000000 H\n0.000000 0.000000 0.000000 C\n0.666666 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 2.29938300859993,
"density_atomic": 0.15371360519859917,
"volume": 19.516815028337778,
"volume_molar": 3.91776690958445,
"formula_full": "H1 C1 N1",
"formula_reduced": "HCN",
"formula_anonymous": "ABC",
"energy_above_hull": 4.89795775,
"spacegroup": 187
},
{
"id": "jvasp-112059",
"created_at": "2022-09-04T14:38:44.075399Z",
"updated_at": "2022-09-04T14:38:44.075427Z",
"structure_string": "Sn1 H10 C10 O4\n1.0\n4.876414 -0.067708 0.969386\n1.421299 5.840795 0.812075\n-0.039140 0.120080 8.971974\nSn H C O\n1 10 10 4\ndirect\n0.097238 0.297677 0.217031 Sn\n0.544275 0.118128 0.021500 H\n0.502520 0.913314 0.182124 H\n0.020867 0.737224 0.268591 H\n0.282823 0.949110 0.037983 H\n0.379002 0.584061 0.263154 H\n0.126253 0.548794 0.433945 H\n0.514333 0.809151 0.428894 H\n0.405998 0.462749 0.593676 H\n0.585587 0.349829 0.839018 H\n0.998189 0.912501 0.752069 H\n0.859720 0.819855 0.719740 C\n0.791723 0.629844 0.814501 C\n0.913510 0.554371 0.957354 C\n0.629240 0.501724 0.767716 C\n0.528659 0.565948 0.629601 C\n0.392636 0.034315 0.099074 C\n0.758791 0.884761 0.580794 C\n0.874358 0.057436 0.468910 C\n0.159785 0.581070 0.310013 C\n0.588859 0.758801 0.537528 C\n0.764827 0.134240 0.344034 O\n0.804982 0.404355 0.057337 O\n0.092905 0.116696 0.484477 O\n0.119007 0.622616 0.980175 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.027062422950095,
"density_atomic": 0.09753506974031695,
"volume": 256.318061457909,
"volume_molar": 6.174333781719436,
"formula_full": "Sn1 H10 C10 O4",
"formula_reduced": "SnH10(C5O2)2",
"formula_anonymous": "AB4C10D10",
"energy_above_hull": 4.898425028,
"spacegroup": 1
},
{
"id": "jvasp-104020",
"created_at": "2022-09-04T14:36:57.727160Z",
"updated_at": "2022-09-04T14:36:57.727190Z",
"structure_string": "H28 C20\n1.0\n3.724606 0.000000 -2.713880\n0.000004 15.433155 0.000003\n0.081649 0.000002 7.096850\nH C\n28 20\ndirect\n0.129562 0.722121 0.041442 H\n0.835990 0.947263 0.563198 H\n0.164011 0.052737 0.436802 H\n0.164011 0.447263 0.936802 H\n0.835990 0.552738 0.063198 H\n0.188117 0.054932 0.868596 H\n0.188116 0.445068 0.368595 H\n0.811884 0.554932 0.631405 H\n0.753993 0.835030 0.179991 H\n0.246008 0.164970 0.820009 H\n0.246007 0.335030 0.320009 H\n0.753993 0.664970 0.679990 H\n0.401444 0.909753 0.078373 H\n0.598557 0.090247 0.921627 H\n0.811883 0.945068 0.131404 H\n0.401445 0.590248 0.578373 H\n0.598555 0.409753 0.421626 H\n0.870439 0.277879 0.958558 H\n0.870436 0.222121 0.458558 H\n0.379495 0.768613 0.323476 H\n0.620505 0.231387 0.676523 H\n0.129564 0.777879 0.541442 H\n0.379496 0.731388 0.823477 H\n0.010284 0.700659 0.235069 H\n0.989717 0.299341 0.764931 H\n0.989717 0.200659 0.264931 H\n0.010284 0.799341 0.735068 H\n0.620504 0.268613 0.176523 H\n0.391318 0.462548 0.931502 C\n0.378326 0.108583 0.933514 C\n0.608683 0.537453 0.068498 C\n0.545669 0.914559 0.695006 C\n0.454331 0.085442 0.304994 C\n0.454331 0.414558 0.804994 C\n0.545669 0.585442 0.195005 C\n0.621674 0.891417 0.066486 C\n0.378325 0.391417 0.433514 C\n0.235320 0.789760 0.722452 C\n0.476176 0.868260 0.819423 C\n0.523824 0.131740 0.180577 C\n0.523824 0.368260 0.680577 C\n0.476176 0.631740 0.319423 C\n0.764680 0.210241 0.277548 C\n0.764681 0.289760 0.777548 C\n0.235319 0.710241 0.222451 C\n0.391318 0.037452 0.431502 C\n0.621675 0.608583 0.566486 C\n0.608683 0.962548 0.568498 C\n",
"nsites": 48,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.0835880540298517,
"density_atomic": 0.1166850111396669,
"volume": 411.3638892534885,
"volume_molar": 5.161023426386581,
"formula_full": "H28 C20",
"formula_reduced": "H7C5",
"formula_anonymous": "A5B7",
"energy_above_hull": 4.900703333333333,
"spacegroup": 14
},
{
"id": "jvasp-119675",
"created_at": "2022-09-04T14:38:36.723680Z",
"updated_at": "2022-09-04T14:38:36.723719Z",
"structure_string": "Cr2 Co6 N6\n1.0\n6.339860 -0.064894 0.000000\n-3.116810 5.523570 0.000000\n-0.000000 -0.000000 3.885238\nCr Co N\n2 6 6\ndirect\n0.666683 0.333340 0.750000 Cr\n0.333318 0.666661 0.250000 Cr\n0.819226 0.638472 0.250000 Co\n0.819171 0.180744 0.250000 Co\n0.361471 0.180766 0.250000 Co\n0.180775 0.361528 0.750000 Co\n0.180830 0.819257 0.750000 Co\n0.638529 0.819235 0.750000 Co\n0.830643 0.661288 0.750000 N\n0.830577 0.169329 0.750000 N\n0.338652 0.169363 0.750000 N\n0.169358 0.338713 0.250000 N\n0.169424 0.830671 0.250000 N\n0.661349 0.830638 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Co",
"N"
],
"chemical_system": "Co-Cr-N",
"density": 6.648927517879358,
"density_atomic": 0.10349671530660927,
"volume": 135.26999343433235,
"volume_molar": 5.8186781504701806,
"formula_full": "Cr2 Co6 N6",
"formula_reduced": "Cr(CoN)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 4.902867121428572,
"spacegroup": 194
},
{
"id": "jvasp-23781",
"created_at": "2022-09-04T14:37:51.585148Z",
"updated_at": "2022-09-04T14:37:51.585176Z",
"structure_string": "Ce4 Re4 B16\n1.0\n3.703074 0.000000 0.000000\n0.000000 6.007638 0.000000\n0.000000 0.000000 11.639993\nCe Re B\n4 4 16\ndirect\n0.000000 0.126357 0.150265 Ce\n0.000000 0.873643 0.849735 Ce\n0.000000 0.626358 0.349735 Ce\n0.000000 0.373643 0.650264 Ce\n0.000000 0.136311 0.408339 Re\n0.000000 0.863689 0.591661 Re\n0.000000 0.636312 0.091661 Re\n0.000000 0.363689 0.908339 Re\n0.499999 0.862055 0.031108 B\n0.499999 0.137945 0.968891 B\n0.499999 0.285715 0.314849 B\n0.499999 0.714285 0.685151 B\n0.499999 0.785716 0.185151 B\n0.499999 0.214285 0.814849 B\n0.499999 0.111942 0.545986 B\n0.499999 0.974334 0.309546 B\n0.499999 0.611942 0.954013 B\n0.499999 0.388058 0.045987 B\n0.499999 0.637945 0.531108 B\n0.499999 0.025667 0.690454 B\n0.499999 0.474333 0.190454 B\n0.499999 0.525667 0.809546 B\n0.499999 0.888058 0.454013 B\n0.499999 0.362055 0.468891 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"Re",
"B"
],
"chemical_system": "B-Ce-Re",
"density": 9.479455838781012,
"density_atomic": 0.09268135533054256,
"volume": 258.9517591149312,
"volume_molar": 6.497683097665537,
"formula_full": "Ce4 Re4 B16",
"formula_reduced": "CeReB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.903137305555556,
"spacegroup": 55
}
]
}