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=density&page=257",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=255",
"results": [
{
"id": "jvasp-120345",
"created_at": "2022-09-04T14:38:53.809771Z",
"updated_at": "2022-09-04T14:38:53.809787Z",
"structure_string": "Sr1 Ta1 N1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nSr Ta N\n1 1 1\ndirect\n0.000271 0.343415 0.000000 Sr\n-0.091518 -0.008860 0.000000 Ta\n0.305109 0.000777 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Ta",
"N"
],
"chemical_system": "N-Sr-Ta",
"density": 2.258952226219111,
"density_atomic": 0.01444262425987646,
"volume": 207.7184828753318,
"volume_molar": 41.696998077629914,
"formula_full": "Sr1 Ta1 N1",
"formula_reduced": "SrTaN",
"formula_anonymous": "ABC",
"energy_above_hull": 4.612262919999999,
"spacegroup": 6
},
{
"id": "jvasp-98123",
"created_at": "2022-09-04T14:35:43.375281Z",
"updated_at": "2022-09-04T14:35:43.375301Z",
"structure_string": "H12 Cl4 O20\n1.0\n8.905885 0.000000 0.000000\n0.000000 5.699744 -0.000000\n0.000000 -0.000000 6.861721\nH Cl O\n12 4 20\ndirect\n0.211685 0.250000 0.613349 H\n0.711684 0.250000 0.886650 H\n0.788315 0.749999 0.386650 H\n0.288315 0.749999 0.113349 H\n0.819019 0.250000 0.672441 H\n0.899660 0.250000 0.904386 H\n0.319019 0.250000 0.827558 H\n0.399660 0.250000 0.595614 H\n0.100340 0.749999 0.095614 H\n0.180980 0.749999 0.327558 H\n0.600339 0.749999 0.404386 H\n0.680980 0.749999 0.172442 H\n0.562422 0.749999 0.813543 Cl\n0.062422 0.749999 0.686457 Cl\n0.937577 0.250000 0.313543 Cl\n0.437577 0.250000 0.186457 Cl\n0.073089 0.542156 0.809176 O\n0.310428 0.250000 0.678384 O\n0.810428 0.250000 0.821615 O\n0.426911 0.042156 0.309176 O\n0.926910 0.457844 0.190824 O\n0.573089 0.542156 0.690824 O\n0.073089 0.957843 0.809176 O\n0.573089 0.957843 0.690824 O\n0.426911 0.457844 0.309176 O\n0.309629 0.250000 0.047803 O\n0.421073 0.749999 0.920694 O\n0.921073 0.749999 0.579305 O\n0.578926 0.250000 0.079305 O\n0.078926 0.250000 0.420695 O\n0.690371 0.749999 0.952197 O\n0.190371 0.749999 0.547803 O\n0.189572 0.749999 0.178384 O\n0.809628 0.250000 0.452197 O\n0.926910 0.042156 0.190824 O\n0.689571 0.749999 0.321616 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O",
"density": 2.259258849840565,
"density_atomic": 0.10335631391429467,
"volume": 348.3096352473637,
"volume_molar": 5.826582365344115,
"formula_full": "H12 Cl4 O20",
"formula_reduced": "H3ClO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.571302396388889,
"spacegroup": 62
},
{
"id": "jvasp-101876",
"created_at": "2022-09-04T14:36:52.187469Z",
"updated_at": "2022-09-04T14:36:52.187496Z",
"structure_string": "Sn1 H6 C4 O4\n1.0\n5.490855 -0.114035 2.909346\n2.310745 5.221184 1.871733\n0.006501 -0.085758 6.008245\nSn H C O\n1 6 4 4\ndirect\n0.469729 0.222698 0.886596 Sn\n0.965582 0.539565 0.949715 H\n0.965692 0.285363 0.202638 H\n0.035347 0.542129 0.207244 H\n-0.013155 0.966942 0.628467 H\n0.935114 0.270830 0.682124 H\n0.935575 0.014635 0.934511 H\n0.056813 0.421727 0.085816 C\n0.885246 0.103876 0.768068 C\n0.478623 0.027218 0.472576 C\n0.478727 0.808573 0.691137 C\n0.478591 -0.005847 0.277214 O\n0.475900 0.848734 0.890007 O\n0.475560 0.226192 0.512813 O\n0.478609 0.613228 0.658105 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.259362631710727,
"density_atomic": 0.08618863442080044,
"volume": 174.0368680952202,
"volume_molar": 6.987163447326461,
"formula_full": "Sn1 H6 C4 O4",
"formula_reduced": "SnH6(CO)4",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.071171046666666,
"spacegroup": 8
},
{
"id": "jvasp-25551",
"created_at": "2022-09-04T14:38:09.642023Z",
"updated_at": "2022-09-04T14:38:09.642051Z",
"structure_string": "P2 H4 F6\n1.0\n4.823485 -0.008004 0.000000\n-1.599227 4.550664 0.000000\n0.000000 0.000000 6.028672\nP H F\n2 4 6\ndirect\n0.687076 0.312924 0.251107 P\n0.312924 0.687075 0.751106 P\n0.837379 0.612705 0.274813 H\n0.162621 0.387294 0.774813 H\n0.387295 0.162621 0.274813 H\n0.612705 0.837378 0.774813 H\n0.634122 0.365879 0.981077 F\n0.740471 0.259530 0.518253 F\n0.118495 0.881503 0.682936 F\n0.881505 0.118497 0.182936 F\n0.259529 0.740470 0.018253 F\n0.365879 0.634121 0.481077 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"P",
"H",
"F"
],
"chemical_system": "F-H-P",
"density": 2.259667152806693,
"density_atomic": 0.0907354966598821,
"volume": 132.25254108633422,
"volume_molar": 6.6370284857465665,
"formula_full": "P2 H4 F6",
"formula_reduced": "PH2F3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.1534927245833333,
"spacegroup": 36
},
{
"id": "jvasp-117506",
"created_at": "2022-09-04T14:38:45.701968Z",
"updated_at": "2022-09-04T14:38:45.701996Z",
"structure_string": "B1 P1 O2\n1.0\n3.119838 0.000000 0.000000\n0.000000 3.119838 -0.000000\n0.000000 0.000000 5.570325\nB P O\n1 1 2\ndirect\n0.500000 0.500000 0.353173 B\n0.000000 0.000000 0.173721 P\n0.000000 0.000000 0.908903 O\n0.500000 0.500000 0.574206 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"P",
"O"
],
"chemical_system": "B-O-P",
"density": 2.2597692423427533,
"density_atomic": 0.0737760449527198,
"volume": 54.218140896051615,
"volume_molar": 8.162731905538383,
"formula_full": "B1 P1 O2",
"formula_reduced": "BPO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.889138770833333,
"spacegroup": 99
},
{
"id": "jvasp-46700",
"created_at": "2022-09-04T14:38:05.001614Z",
"updated_at": "2022-09-04T14:38:05.001627Z",
"structure_string": "Li12 Mn2 O4 F8\n1.0\n5.541933 0.055978 -0.019391\n-2.261672 -6.597883 0.002325\n-0.030842 0.007708 -8.250604\nLi Mn O F\n12 2 4 8\ndirect\n0.978475 0.006736 0.346201 Li\n0.587314 0.178625 0.159412 Li\n0.307324 0.329004 0.297214 Li\n0.693479 0.170773 0.796266 Li\n0.587961 0.678509 0.339629 Li\n0.020529 0.494013 0.846201 Li\n-0.020529 0.505986 0.153799 Li\n0.412039 0.321490 0.660371 Li\n0.306521 0.829226 0.203734 Li\n0.692676 0.670995 0.702786 Li\n0.412685 0.821374 0.840587 Li\n0.021525 0.993263 0.653799 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.227544 0.076358 0.182008 O\n0.771907 0.423878 0.681663 O\n0.228093 0.576121 0.318337 O\n0.772456 0.923641 0.817992 O\n0.668507 0.438436 0.273647 F\n0.853174 0.292723 0.004025 F\n0.853226 0.792818 0.495413 F\n0.667933 0.938582 0.225870 F\n0.332067 0.061416 0.774130 F\n0.146774 0.207181 0.504587 F\n0.146826 0.707276 -0.004025 F\n0.331492 0.561563 0.726353 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.2598697483909502,
"density_atomic": 0.08648126005148234,
"volume": 300.64316806348785,
"volume_molar": 6.963521063887156,
"formula_full": "Li12 Mn2 O4 F8",
"formula_reduced": "Li6Mn(OF2)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.0013965670291776,
"spacegroup": 14
},
{
"id": "jvasp-20201",
"created_at": "2022-09-04T14:38:31.446722Z",
"updated_at": "2022-09-04T14:38:31.446749Z",
"structure_string": "Ba2 Mg17\n1.0\n7.961504 0.003341 1.000153\n0.882785 7.912411 1.000153\n0.003733 0.003341 8.024079\nBa Mg\n2 17\ndirect\n0.337464 0.337464 0.337464 Ba\n0.662536 0.662535 0.662535 Ba\n0.845661 0.346995 0.346994 Mg\n0.154339 0.653005 0.653005 Mg\n0.653005 0.653005 0.154338 Mg\n0.653005 0.154339 0.653005 Mg\n0.292829 -0.000000 0.707170 Mg\n0.000000 0.707170 0.292829 Mg\n0.707170 0.292830 -0.000000 Mg\n0.346995 0.346995 0.845661 Mg\n0.292830 0.707170 -0.000000 Mg\n0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.901917 0.901917 0.901916 Mg\n0.098083 0.098083 0.098083 Mg\n0.346995 0.845661 0.346994 Mg\n-0.000000 0.292830 0.707170 Mg\n0.707170 -0.000000 0.292830 Mg\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Ba",
"Mg"
],
"chemical_system": "Ba-Mg",
"density": 2.259970522061732,
"density_atomic": 0.03759416832110197,
"volume": 505.39753500372336,
"volume_molar": 16.01881629236552,
"formula_full": "Ba2 Mg17",
"formula_reduced": "Ba2Mg17",
"formula_anonymous": "A2B17",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-27815",
"created_at": "2022-09-04T14:37:14.977687Z",
"updated_at": "2022-09-04T14:37:14.977714Z",
"structure_string": "P2 H4 F6\n1.0\n4.822531 -0.006840 0.000000\n-1.597814 4.550147 -0.000000\n0.000000 0.000000 6.028720\nP H F\n2 4 6\ndirect\n0.687068 0.312933 0.251080 P\n0.312933 0.687068 0.751080 P\n0.837212 0.612745 0.274638 H\n0.162789 0.387256 0.774638 H\n0.387255 0.162788 0.274638 H\n0.612746 0.837212 0.774638 H\n0.634458 0.365542 0.980938 F\n0.740129 0.259871 0.518346 F\n0.118339 0.881663 0.683360 F\n0.881662 0.118338 0.183360 F\n0.259872 0.740130 0.018346 F\n0.365543 0.634459 0.480938 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"P",
"H",
"F"
],
"chemical_system": "F-H-P",
"density": 2.2601605344384015,
"density_atomic": 0.09075530808535702,
"volume": 132.2236710244406,
"volume_molar": 6.635579655942621,
"formula_full": "P2 H4 F6",
"formula_reduced": "PH2F3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.1534927245833333,
"spacegroup": 36
},
{
"id": "jvasp-112257",
"created_at": "2022-09-04T14:38:47.618807Z",
"updated_at": "2022-09-04T14:38:47.618828Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.559007 -0.043636 -0.292331\n-2.009738 4.217329 -0.790581\n0.245524 0.029155 7.481586\nZn H C O\n1 6 5 4\ndirect\n0.772871 0.679069 0.746637 Zn\n0.710134 0.217887 0.412106 H\n0.462270 0.801992 0.330409 H\n0.140277 0.223644 0.274130 H\n0.398051 0.444258 0.036702 H\n0.130092 0.889152 0.120848 H\n0.721499 0.542509 0.204524 H\n0.274667 0.034292 0.536711 C\n0.458617 0.034204 0.372616 C\n0.293535 0.110953 0.215365 C\n0.527547 0.339225 0.109501 C\n0.692125 0.212790 0.965775 C\n0.347630 0.288370 0.653470 O\n0.032671 0.769695 0.545559 O\n0.622027 0.915921 0.932497 O\n0.894049 0.406803 0.881859 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.260396512016804,
"density_atomic": 0.11140163329376024,
"volume": 143.62446516209366,
"volume_molar": 5.405792161161527,
"formula_full": "Zn1 H6 C5 O4",
"formula_reduced": "ZnH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.146242774999999,
"spacegroup": 1
},
{
"id": "jvasp-118744",
"created_at": "2022-09-04T14:38:50.029220Z",
"updated_at": "2022-09-04T14:38:50.029248Z",
"structure_string": "N1 Cl1\n1.0\n3.531602 -0.000000 0.000000\n-1.765801 3.058457 -0.000000\n-0.000000 0.000000 3.363875\nN Cl\n1 1\ndirect\n0.333333 0.666668 0.000000 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"N",
"Cl"
],
"chemical_system": "Cl-N",
"density": 2.260406736687927,
"density_atomic": 0.05504476391038011,
"volume": 36.334064458088235,
"volume_molar": 10.940442527476025,
"formula_full": "N1 Cl1",
"formula_reduced": "NCl",
"formula_anonymous": "AB",
"energy_above_hull": 2.95682865875,
"spacegroup": 187
},
{
"id": "jvasp-113674",
"created_at": "2022-09-04T14:38:50.851902Z",
"updated_at": "2022-09-04T14:38:50.851932Z",
"structure_string": "Al1 P1 O4\n1.0\n-2.459017 2.459017 3.703786\n2.459017 -2.459017 3.703786\n2.459017 2.459017 -3.703786\nAl P O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.750002 0.250000 0.500001 P\n-0.014696 0.597007 0.846834 O\n0.861531 0.014697 0.611705 O\n0.750176 0.138471 0.153169 O\n0.402995 0.249826 0.388298 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 2.2605405001957726,
"density_atomic": 0.06697647874017462,
"volume": 89.58368837627484,
"volume_molar": 8.99142635336505,
"formula_full": "Al1 P1 O4",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1843503833333338,
"spacegroup": 82
},
{
"id": "jvasp-57870",
"created_at": "2022-09-04T14:38:36.071100Z",
"updated_at": "2022-09-04T14:38:36.071116Z",
"structure_string": "Na4 O8\n1.0\n5.446249 0.000000 0.000000\n-0.000000 5.446249 0.000000\n-0.000000 -0.000000 5.446249\nNa O\n4 8\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.428129 0.071871 0.928129 O\n0.071871 0.928129 0.428129 O\n0.928129 0.428129 0.071871 O\n0.571871 0.571871 0.571871 O\n0.428129 0.428129 0.428129 O\n0.071871 0.571871 0.928129 O\n0.928129 0.071871 0.571871 O\n0.571871 0.928129 0.071871 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Na",
"O"
],
"chemical_system": "Na-O",
"density": 2.260939958226072,
"density_atomic": 0.07428288566876795,
"volume": 161.54461275923975,
"volume_molar": 8.107036642131948,
"formula_full": "Na4 O8",
"formula_reduced": "NaO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0037717500000003,
"spacegroup": 205
}
]
}