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=-volume&page=889",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=887",
"results": [
{
"id": "jvasp-53160",
"created_at": "2022-09-04T14:38:13.458492Z",
"updated_at": "2022-09-04T14:38:13.458512Z",
"structure_string": "Yb2 Ti4 Cd2 O12 F2\n1.0\n6.206162 0.032019 3.613911\n2.092700 5.919051 3.624664\n0.026658 0.032019 7.181649\nYb Ti Cd O F\n2 4 2 12 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 -0.000000 Yb\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.827466 0.826545 0.420076 O\n0.828841 0.421159 0.828841 O\n0.420077 0.826545 0.827465 O\n0.827466 0.425912 0.420077 O\n0.420077 0.425912 0.827466 O\n0.419600 0.830400 0.419599 O\n0.579923 0.173455 0.172534 O\n0.580400 0.169600 0.580400 O\n0.172534 0.574088 0.579923 O\n0.172534 0.173455 0.579923 O\n0.171159 0.578841 0.171158 O\n0.579923 0.574088 0.172534 O\n0.118397 0.131603 0.118396 F\n0.881603 0.868397 0.881603 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Yb",
"Ti",
"Cd",
"O",
"F"
],
"chemical_system": "Cd-F-O-Ti-Yb",
"density": 6.282594297346429,
"density_atomic": 0.08387712208805839,
"volume": 262.28844591142865,
"volume_molar": 7.179717913637591,
"formula_full": "Yb2 Ti4 Cd2 O12 F2",
"formula_reduced": "YbTi2CdO6F",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 1.863322581742424,
"spacegroup": 74
},
{
"id": "jvasp-103208",
"created_at": "2022-09-04T14:36:39.974452Z",
"updated_at": "2022-09-04T14:36:39.974473Z",
"structure_string": "Rb2 Na1 Ga1 Cl6\n1.0\n6.222458 -0.000000 3.592538\n2.074153 5.866590 3.592538\n-0.000000 -0.000000 7.185076\nRb Na Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Ga\n0.765249 0.234751 0.234752 Cl\n0.234751 0.234751 0.765249 Cl\n0.234751 0.765249 0.765250 Cl\n0.234751 0.765249 0.234752 Cl\n0.765249 0.234751 0.765250 Cl\n0.765249 0.765249 0.234752 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-Na-Rb",
"density": 3.0158595549251737,
"density_atomic": 0.03812597179325951,
"volume": 262.2883963253614,
"volume_molar": 15.795376423859933,
"formula_full": "Rb2 Na1 Ga1 Cl6",
"formula_reduced": "Rb2NaGaCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112482",
"created_at": "2022-09-04T14:38:40.535669Z",
"updated_at": "2022-09-04T14:38:40.535696Z",
"structure_string": "Cr5 Se8\n1.0\n5.618652 -0.018683 3.859693\n0.957939 5.536420 3.859693\n0.004957 0.004159 8.432190\nCr Se\n5 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.270207 0.270207 0.987153 Cr\n0.729794 0.729794 0.012846 Cr\n0.271575 0.728426 0.499999 Cr\n0.728426 0.271575 0.499999 Cr\n0.974992 0.974993 0.325294 Se\n0.025008 0.025008 0.674705 Se\n0.450797 0.450797 0.333914 Se\n0.549204 0.549204 0.666085 Se\n0.033168 0.544467 0.170995 Se\n0.544467 0.033168 0.170995 Se\n0.966832 0.455534 0.829004 Se\n0.455533 0.966833 0.829004 Se\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Cr",
"Se"
],
"chemical_system": "Cr-Se",
"density": 5.645430452206917,
"density_atomic": 0.04956690343404037,
"volume": 262.27178014659216,
"volume_molar": 12.14951982629655,
"formula_full": "Cr5 Se8",
"formula_reduced": "Cr5Se8",
"formula_anonymous": "A5B8",
"energy_above_hull": 3.27444337948718,
"spacegroup": 12
},
{
"id": "jvasp-19406",
"created_at": "2022-09-04T14:36:37.483464Z",
"updated_at": "2022-09-04T14:36:37.483493Z",
"structure_string": "Ca4 Ta2 Ag2 O12\n1.0\n0.000000 5.918131 0.079314\n7.566049 0.000000 0.000000\n0.000000 -1.237581 -5.873872\nCa Ta Ag O\n4 2 2 12\ndirect\n0.972774 0.750000 0.930153 Ca\n0.464485 0.750000 0.448345 Ca\n0.535515 0.250000 0.551655 Ca\n0.027226 0.250000 0.069847 Ca\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.830417 0.953451 0.171900 O\n0.387845 0.750000 0.056526 O\n0.169583 0.046549 0.828100 O\n0.732990 0.949727 0.633823 O\n0.267010 0.449727 0.366177 O\n0.732990 0.550274 0.633823 O\n0.267010 0.050273 0.366177 O\n0.830417 0.546549 0.171900 O\n0.612155 0.250000 0.943475 O\n0.169583 0.453451 0.828100 O\n0.893994 0.250000 0.452147 O\n0.106007 0.750000 0.547854 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ta",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O-Ta",
"density": 5.887791801790818,
"density_atomic": 0.07625702070861136,
"volume": 262.27093340589283,
"volume_molar": 7.897162391134366,
"formula_full": "Ca4 Ta2 Ag2 O12",
"formula_reduced": "Ca2TaAgO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.14906683,
"spacegroup": 11
},
{
"id": "jvasp-9101",
"created_at": "2022-09-04T14:37:28.022389Z",
"updated_at": "2022-09-04T14:37:28.022409Z",
"structure_string": "K4 O12\n1.0\n6.821737 -0.049489 -1.771372\n-4.091454 5.458805 -1.771372\n0.024979 0.049489 7.047924\nK O\n4 12\ndirect\n0.250001 0.750001 0.500000 K\n0.750001 0.250000 0.500000 K\n0.750001 0.750001 0.000001 K\n0.250000 0.250000 0.000000 K\n0.748219 0.564937 0.313155 O\n0.435065 0.748219 0.183282 O\n0.564937 0.251782 0.816718 O\n0.251783 0.435064 0.686846 O\n0.220814 0.279187 0.500000 O\n0.279188 0.779187 0.058373 O\n0.720814 0.220814 0.941628 O\n0.779188 0.720814 0.500001 O\n0.064937 0.248218 0.313155 O\n0.248219 0.935064 0.183282 O\n0.751782 0.064937 0.816718 O\n0.935065 0.751783 0.686846 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.206130806931019,
"density_atomic": 0.06101567920135578,
"volume": 262.22767999023563,
"volume_molar": 9.869825000433964,
"formula_full": "K4 O12",
"formula_reduced": "KO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4847184374999998,
"spacegroup": 140
},
{
"id": "jvasp-42555",
"created_at": "2022-09-04T14:35:55.816799Z",
"updated_at": "2022-09-04T14:35:55.816820Z",
"structure_string": "Mn8 O8 F8\n1.0\n4.597414 -0.004448 -0.000000\n-0.004448 4.597414 0.000000\n-0.000000 0.000000 12.406362\nMn O F\n8 8 8\ndirect\n0.968519 0.968519 0.000000 Mn\n0.024351 0.036651 0.250000 Mn\n0.968519 0.968519 0.500000 Mn\n0.036651 0.024351 0.750000 Mn\n0.469123 0.528588 0.625011 Mn\n0.528588 0.469123 0.125011 Mn\n0.528588 0.469123 0.374989 Mn\n0.469123 0.528588 0.874989 Mn\n0.821247 0.176427 0.375202 O\n0.821247 0.176427 0.124798 O\n0.676743 0.676743 0.500000 O\n0.676743 0.676743 0.000000 O\n0.299074 0.337209 0.750000 O\n0.337209 0.299074 0.250000 O\n0.176427 0.821247 0.875202 O\n0.176427 0.821247 0.624798 O\n0.226720 0.783782 0.132358 F\n0.226720 0.783782 0.367642 F\n0.275587 0.275587 0.000000 F\n0.275587 0.275587 0.500000 F\n0.745775 0.703454 0.250000 F\n0.703454 0.745775 0.750000 F\n0.783782 0.226720 0.632358 F\n0.783782 0.226720 0.867642 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.556177644413987,
"density_atomic": 0.09152504922405866,
"volume": 262.22329519044126,
"volume_molar": 6.579773309116119,
"formula_full": "Mn8 O8 F8",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.219193674626437,
"spacegroup": 40
},
{
"id": "jvasp-98190",
"created_at": "2022-09-04T14:35:57.339617Z",
"updated_at": "2022-09-04T14:35:57.339635Z",
"structure_string": "Nb10 Si6\n1.0\n5.962120 -0.000000 -2.884644\n-1.395671 5.796336 -2.884639\n-0.004806 -0.006092 7.593785\nNb Si\n10 6\ndirect\n0.184539 0.016125 0.700688 Nb\n0.016148 0.516126 0.700688 Nb\n0.684547 0.184566 0.700697 Nb\n0.983852 0.483875 0.299314 Nb\n0.516149 0.684566 0.700697 Nb\n0.815461 0.983876 0.299314 Nb\n0.483851 0.315435 0.299304 Nb\n0.315453 0.815435 0.299304 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.629557 0.129573 0.999990 Si\n0.870432 0.629574 0.999991 Si\n0.129568 0.370427 0.000011 Si\n0.370443 0.870428 0.000011 Si\n0.750000 0.750001 0.500001 Si\n0.249999 0.250000 0.500000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Nb",
"Si"
],
"chemical_system": "Nb-Si",
"density": 6.950540138652976,
"density_atomic": 0.06101751580385164,
"volume": 262.2197870433464,
"volume_molar": 9.8695279227016,
"formula_full": "Nb10 Si6",
"formula_reduced": "Nb5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 5.2931266,
"spacegroup": 140
},
{
"id": "jvasp-119288",
"created_at": "2022-09-04T14:38:50.310579Z",
"updated_at": "2022-09-04T14:38:50.310606Z",
"structure_string": "Li2 Ga2 W4 O16\n1.0\n5.700089 -0.000000 0.000000\n0.000000 4.934866 0.060166\n-0.000000 -0.059608 9.320844\nLi Ga W O\n2 2 4 16\ndirect\n0.341075 0.250000 0.500000 Li\n0.658925 0.750000 0.500000 Li\n0.331656 0.250000 0.000000 Ga\n0.668344 0.750001 0.000000 Ga\n0.181913 0.755090 0.748375 W\n0.181913 0.744911 0.251626 W\n0.818088 0.255090 0.748374 W\n0.818088 0.244910 0.251625 W\n0.380125 0.899963 0.626309 O\n0.380125 0.600038 0.373691 O\n0.898478 0.563117 0.350603 O\n0.619875 0.100038 0.373691 O\n0.617912 0.089845 0.885543 O\n0.617912 0.410154 0.114456 O\n0.382089 0.910155 0.114457 O\n0.882463 0.926088 0.131038 O\n0.101522 0.436884 0.649397 O\n0.882463 0.573912 0.868963 O\n0.898478 0.936884 0.649397 O\n0.117537 0.426088 0.131037 O\n0.117537 0.073912 0.868962 O\n0.382089 0.589846 0.885543 O\n0.619875 0.399962 0.626309 O\n0.101522 0.063116 0.350603 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ga",
"W",
"O"
],
"chemical_system": "Ga-Li-O-W",
"density": 7.249139951145015,
"density_atomic": 0.09153035372692521,
"volume": 262.20809843696685,
"volume_molar": 6.579391988330626,
"formula_full": "Li2 Ga2 W4 O16",
"formula_reduced": "LiGa(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.4064266937500003,
"spacegroup": 13
},
{
"id": "jvasp-59226",
"created_at": "2022-09-04T14:38:14.811590Z",
"updated_at": "2022-09-04T14:38:14.811602Z",
"structure_string": "Li2 V2 P4 O16\n1.0\n0.000000 5.690392 -0.000547\n4.819161 0.000000 0.000000\n0.000000 -0.000942 -9.561412\nLi V P O\n2 2 4 16\ndirect\n0.745164 0.870130 0.290442 Li\n0.745164 0.129870 0.790442 Li\n0.245175 0.339805 0.233365 V\n0.245175 0.660195 0.733365 V\n0.245177 0.921584 0.415307 P\n0.245177 0.078416 0.915307 P\n0.745173 0.331298 0.082106 P\n0.745173 0.668702 0.582106 P\n0.745181 0.413559 0.931307 O\n0.745181 0.586441 0.431307 O\n0.745175 0.971739 0.614266 O\n0.972538 0.525941 0.657207 O\n0.517815 0.525940 0.657208 O\n0.517815 0.474060 0.157208 O\n0.449614 0.915682 0.843765 O\n0.245176 0.927564 0.574128 O\n0.245179 0.386118 0.865939 O\n0.245179 0.613882 0.365939 O\n0.972538 0.474059 0.157207 O\n0.245176 0.072436 0.074128 O\n0.040738 0.915697 0.843760 O\n0.449614 0.084318 0.343765 O\n0.040738 0.084303 0.343761 O\n0.745175 0.028261 0.114266 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.138982853564286,
"density_atomic": 0.09153255486498763,
"volume": 262.2017929620831,
"volume_molar": 6.579233769758508,
"formula_full": "Li2 V2 P4 O16",
"formula_reduced": "LiV(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.8920194333333336,
"spacegroup": 26
},
{
"id": "jvasp-88522",
"created_at": "2022-09-04T14:35:55.559712Z",
"updated_at": "2022-09-04T14:35:55.559743Z",
"structure_string": "Ba1 Al3 P2 H2 O14\n1.0\n5.344648 3.229111 -3.551498\n-5.344648 3.229111 3.551498\n0.224289 0.000000 7.447078\nBa Al P H O\n1 3 2 2 14\ndirect\n0.000579 -0.000579 0.001257 Ba\n0.000582 0.999417 0.501255 Al\n0.500582 0.999416 0.501249 Al\n0.000583 0.499418 0.501249 Al\n0.276811 0.723188 0.882192 P\n0.724352 0.275647 0.120307 P\n0.326574 0.673425 0.348422 H\n0.674578 0.325422 0.654051 H\n0.024913 0.214846 0.593314 O\n0.785153 0.975087 0.593314 O\n0.688299 0.311701 0.534145 O\n0.312864 0.687135 0.468342 O\n0.882066 0.500345 0.209632 O\n0.499654 0.117933 0.209632 O\n0.134376 0.865623 0.782811 O\n0.119097 0.498491 0.792864 O\n0.866790 0.133210 0.219698 O\n0.976258 0.783986 0.409200 O\n0.655143 0.344857 0.881554 O\n0.346022 0.653978 0.120947 O\n0.501508 0.880902 0.792864 O\n0.216014 0.023741 0.409200 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Ba",
"Al",
"P",
"H",
"O"
],
"chemical_system": "Al-Ba-H-O-P",
"density": 3.206050384844031,
"density_atomic": 0.08390714572470069,
"volume": 262.1945939167326,
"volume_molar": 7.177148868534561,
"formula_full": "Ba1 Al3 P2 H2 O14",
"formula_reduced": "BaAl3P2(HO7)2",
"formula_anonymous": "AB2C2D3E14",
"energy_above_hull": 2.7667156531818184,
"spacegroup": 12
},
{
"id": "jvasp-7109",
"created_at": "2022-09-04T14:38:32.360248Z",
"updated_at": "2022-09-04T14:38:32.360274Z",
"structure_string": "H5 Pb1 C1 I3 N2\n1.0\n6.486825 0.000000 -0.000000\n0.000001 6.309788 -0.000000\n-0.000000 0.000000 6.405316\nH Pb C I N\n5 1 1 3 2\ndirect\n0.500000 0.702262 0.500000 H\n0.809197 0.525307 0.500000 H\n0.697727 0.272228 0.500000 H\n0.302274 0.272228 0.500000 H\n0.190804 0.525307 0.500000 H\n-0.000000 0.945495 0.000000 Pb\n0.500001 0.528902 0.500000 C\n0.500000 0.958708 0.000000 I\n-0.000000 0.444545 0.000000 I\n-0.000000 0.926676 0.500000 I\n0.679569 0.433430 0.500000 N\n0.320430 0.433430 0.500000 N\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"I",
"N"
],
"chemical_system": "C-H-I-N-Pb",
"density": 4.009125593096728,
"density_atomic": 0.045771351523680545,
"volume": 262.17272596356713,
"volume_molar": 13.1570088265459,
"formula_full": "H5 Pb1 C1 I3 N2",
"formula_reduced": "H5PbCI3N2",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 2.8686113454166664,
"spacegroup": 25
},
{
"id": "jvasp-7136",
"created_at": "2022-09-04T14:38:33.442199Z",
"updated_at": "2022-09-04T14:38:33.442220Z",
"structure_string": "H5 Pb1 C1 I3 N2\n1.0\n6.485829 0.000000 -0.000000\n0.000001 6.309774 -0.000000\n0.000000 -0.000000 6.406172\nH Pb C I N\n5 1 1 3 2\ndirect\n0.500000 0.702377 0.500000 H\n0.809213 0.525516 0.500000 H\n0.697814 0.272378 0.500000 H\n0.302186 0.272378 0.500000 H\n0.190787 0.525516 0.500000 H\n-0.000000 0.945151 0.000000 Pb\n0.500001 0.529021 0.500000 C\n0.500000 0.958176 0.000000 I\n-0.000000 0.444192 0.000000 I\n-0.000000 0.926661 0.500000 I\n0.679605 0.433572 0.500000 N\n0.320393 0.433572 0.500000 N\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"I",
"N"
],
"chemical_system": "C-H-I-N-Pb",
"density": 4.009214366087165,
"density_atomic": 0.04577236502641492,
"volume": 262.1669208719034,
"volume_molar": 13.156717500886536,
"formula_full": "H5 Pb1 C1 I3 N2",
"formula_reduced": "H5PbCI3N2",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 2.8686113454166664,
"spacegroup": 25
}
]
}