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_reduced&page=4414",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4412",
"results": [
{
"id": "jvasp-88455",
"created_at": "2022-09-04T14:36:09.656375Z",
"updated_at": "2022-09-04T14:36:09.656404Z",
"structure_string": "Ba6 Sr2 Ta4 O18\n1.0\n6.070668 -0.000000 -0.000000\n-3.035333 5.257352 0.000000\n0.000000 -0.000000 15.855251\nBa Sr Ta O\n6 2 4 18\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.878826 Ba\n0.666667 0.333333 0.378826 Ba\n0.666667 0.333333 0.121174 Ba\n0.333333 0.666667 0.621174 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.343845 Ta\n0.666667 0.333333 0.843845 Ta\n0.666667 0.333333 0.656155 Ta\n0.333333 0.666667 0.156155 Ta\n0.653860 0.826929 0.100979 O\n0.346140 0.173071 0.600979 O\n0.826930 0.653859 0.899021 O\n0.826930 0.173071 0.600979 O\n0.826930 0.653859 0.600979 O\n0.173071 0.826929 0.399021 O\n0.653860 0.826929 0.399021 O\n0.346140 0.173071 0.899021 O\n0.965063 0.482531 0.750000 O\n0.173071 0.346140 0.399021 O\n0.517469 0.034938 0.750000 O\n0.482532 0.517468 0.250000 O\n0.034938 0.517468 0.250000 O\n0.173071 0.346140 0.100979 O\n0.517469 0.482531 0.750000 O\n0.482532 0.965062 0.250000 O\n0.826930 0.173071 0.899021 O\n0.173071 0.826929 0.100979 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Ta",
"O"
],
"chemical_system": "Ba-O-Sr-Ta",
"density": 6.599040240510881,
"density_atomic": 0.059284968728613725,
"volume": 506.0304600535377,
"volume_molar": 10.157955530966538,
"formula_full": "Ba6 Sr2 Ta4 O18",
"formula_reduced": "Ba3SrTa2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.5871509413333333,
"spacegroup": 194
},
{
"id": "jvasp-27242",
"created_at": "2022-09-04T14:37:59.056578Z",
"updated_at": "2022-09-04T14:37:59.056611Z",
"structure_string": "Ba6 Sr2 Ta4 O18\n1.0\n3.068102 -5.314109 -0.000000\n3.068102 5.314109 0.000000\n-0.000000 0.000000 15.438739\nBa Sr Ta O\n6 2 4 18\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.116959 Ba\n0.666667 0.333333 0.616959 Ba\n0.666667 0.333333 0.883041 Ba\n0.333333 0.666667 0.383041 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.653951 Ta\n0.666667 0.333333 0.153950 Ta\n0.666667 0.333333 0.346050 Ta\n0.333333 0.666667 0.846050 Ta\n0.114880 0.759531 0.902803 O\n0.885120 0.240468 0.402803 O\n0.759531 0.644650 0.402803 O\n0.644650 0.885120 0.902803 O\n0.644650 0.885120 0.597197 O\n0.759531 0.644650 0.097197 O\n0.885120 0.240468 0.097197 O\n0.114880 0.759531 0.597197 O\n0.525050 0.569580 0.750000 O\n0.355350 0.114880 0.097197 O\n0.044531 0.474950 0.750000 O\n0.569581 0.044530 0.250000 O\n0.474950 0.430419 0.250000 O\n0.240469 0.355349 0.902803 O\n0.430419 0.955469 0.750000 O\n0.955469 0.525049 0.250000 O\n0.240469 0.355349 0.597197 O\n0.355350 0.114880 0.402803 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Ta",
"O"
],
"chemical_system": "Ba-O-Sr-Ta",
"density": 6.633081956751068,
"density_atomic": 0.05959079533509183,
"volume": 503.4334553063701,
"volume_molar": 10.105823770493766,
"formula_full": "Ba6 Sr2 Ta4 O18",
"formula_reduced": "Ba3SrTa2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.5861149413333333,
"spacegroup": 176
},
{
"id": "jvasp-10195",
"created_at": "2022-09-04T14:38:11.656858Z",
"updated_at": "2022-09-04T14:38:11.656886Z",
"structure_string": "Ba3 Sr1 Ta2 O9\n1.0\n3.006069 -5.206665 0.000000\n3.006069 5.206665 -0.000000\n0.000000 -0.000000 7.565966\nBa Sr Ta O\n3 1 2 9\ndirect\n0.333333 0.666667 0.318502 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.681499 Ba\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.836327 Ta\n0.666667 0.333333 0.163673 Ta\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.821340 0.642680 0.302502 O\n0.821340 0.178661 0.302502 O\n0.357321 0.178661 0.302502 O\n0.178661 0.357321 0.697499 O\n0.178661 0.821340 0.697499 O\n0.642680 0.821340 0.697499 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Ta",
"O"
],
"chemical_system": "Ba-O-Sr-Ta",
"density": 7.049762379572075,
"density_atomic": 0.06333420118449402,
"volume": 236.83885988085086,
"volume_molar": 9.508513010936005,
"formula_full": "Ba3 Sr1 Ta2 O9",
"formula_reduced": "Ba3SrTa2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.5857302746666666,
"spacegroup": 164
},
{
"id": "jvasp-91816",
"created_at": "2022-09-04T14:36:12.148876Z",
"updated_at": "2022-09-04T14:36:12.148903Z",
"structure_string": "Ba3 Sr1 O4\n1.0\n5.499364 0.000000 0.000000\n0.000000 5.499364 -0.000000\n0.000000 -0.000000 5.499364\nBa Sr O\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"O"
],
"chemical_system": "Ba-O-Sr",
"density": 5.627060752468374,
"density_atomic": 0.048100831944077466,
"volume": 166.31728967392672,
"volume_molar": 12.519826615476015,
"formula_full": "Ba3 Sr1 O4",
"formula_reduced": "Ba3SrO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8677872775000001,
"spacegroup": 221
},
{
"id": "jvasp-88454",
"created_at": "2022-09-04T14:36:05.650092Z",
"updated_at": "2022-09-04T14:36:05.650113Z",
"structure_string": "Ba6 Sr2 Nb4 O18\n1.0\n6.080671 -0.000000 0.000000\n-3.040335 5.266016 0.000000\n-0.000000 -0.000000 15.935464\nBa Sr Nb O\n6 2 4 18\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666668 0.876210 Ba\n0.666667 0.333333 0.376210 Ba\n0.666667 0.333333 0.123790 Ba\n0.333333 0.666668 0.623790 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666668 0.344365 Nb\n0.666667 0.333333 0.844365 Nb\n0.666667 0.333333 0.655634 Nb\n0.333333 0.666668 0.155634 Nb\n0.656324 0.828163 0.101396 O\n0.343675 0.171838 0.601396 O\n0.828162 0.656325 0.898604 O\n0.828162 0.171838 0.601396 O\n0.828162 0.656325 0.601396 O\n0.171838 0.828163 0.398604 O\n0.656324 0.828163 0.398604 O\n0.343675 0.171838 0.898604 O\n0.968965 0.484482 0.750000 O\n0.171838 0.343675 0.398604 O\n0.515518 0.031035 0.750000 O\n0.484482 0.515518 0.250000 O\n0.031035 0.515518 0.250000 O\n0.171838 0.343675 0.101396 O\n0.515518 0.484482 0.750000 O\n0.484481 0.968966 0.250000 O\n0.828162 0.171838 0.898604 O\n0.171838 0.828163 0.101396 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Sr",
"density": 5.39820169988208,
"density_atomic": 0.05879262628627618,
"volume": 510.2680709298885,
"volume_molar": 10.243020494911509,
"formula_full": "Ba6 Sr2 Nb4 O18",
"formula_reduced": "Ba3SrNb2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.394512301333333,
"spacegroup": 194
},
{
"id": "jvasp-50415",
"created_at": "2022-09-04T14:36:06.940164Z",
"updated_at": "2022-09-04T14:36:06.940196Z",
"structure_string": "Ba3 Sr1 I8\n1.0\n0.000000 8.203170 0.000000\n4.101586 -4.101586 8.200495\n8.203170 0.000000 -0.000000\nBa Sr I\n3 1 8\ndirect\n0.250000 0.500000 0.250000 Ba\n0.500000 0.000000 0.500000 Ba\n0.750000 0.500000 0.750000 Ba\n0.000000 0.000000 0.000000 Sr\n0.877379 0.245835 0.122621 I\n0.368456 0.245835 0.122621 I\n0.631543 0.754165 0.368457 I\n0.122620 0.754165 0.368457 I\n0.877379 0.245835 0.631544 I\n0.368456 0.245835 0.631544 I\n0.122620 0.754165 0.877380 I\n0.631543 0.754165 0.877380 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 4.558389600501933,
"density_atomic": 0.02174591840981945,
"volume": 551.8276935400143,
"volume_molar": 27.69320038136757,
"formula_full": "Ba3 Sr1 I8",
"formula_reduced": "Ba3SrI8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-112700",
"created_at": "2022-09-04T14:38:41.779061Z",
"updated_at": "2022-09-04T14:38:41.779086Z",
"structure_string": "Ba3 Sr1 Cl4 F4\n1.0\n4.340589 -0.000000 0.000000\n0.000000 4.340589 0.000000\n-0.000000 -0.000000 14.424028\nBa Sr Cl F\n3 1 4 4\ndirect\n0.500000 0.500000 0.896961 Ba\n0.000000 0.000000 0.110254 Ba\n0.000000 0.000000 0.596764 Ba\n0.500000 0.500000 0.399278 Sr\n0.500000 0.500000 0.187335 Cl\n0.500000 0.500000 0.671428 Cl\n0.000000 0.000000 0.329170 Cl\n0.000000 0.000000 0.820698 Cl\n0.500000 0.000000 0.003243 F\n0.500000 0.000000 0.490813 F\n-0.000000 0.500000 0.003243 F\n-0.000000 0.500000 0.490813 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F-Sr",
"density": 4.383596638917878,
"density_atomic": 0.04415677614241668,
"volume": 271.7589699324287,
"volume_molar": 13.638089747714112,
"formula_full": "Ba3 Sr1 Cl4 F4",
"formula_reduced": "Ba3Sr(ClF)4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-106136",
"created_at": "2022-09-04T14:35:56.116566Z",
"updated_at": "2022-09-04T14:35:56.116591Z",
"structure_string": "Ba3 Sr1 Ag4\n1.0\n4.951587 0.000000 0.000000\n0.000000 6.529558 0.085964\n0.000000 0.004218 8.519610\nBa Sr Ag\n3 1 4\ndirect\n0.500000 0.367469 0.182619 Ba\n0.000000 0.867043 0.321440 Ba\n0.000000 0.634203 0.817686 Ba\n0.500000 0.134442 0.681177 Sr\n0.500000 0.621329 0.541064 Ag\n0.500000 0.883775 0.028991 Ag\n0.000000 0.365888 0.473117 Ag\n0.000000 0.125852 0.953902 Ag\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Ag"
],
"chemical_system": "Ag-Ba-Sr",
"density": 5.612910555546304,
"density_atomic": 0.02904322939854676,
"volume": 275.4514620333611,
"volume_molar": 20.735093461408706,
"formula_full": "Ba3 Sr1 Ag4",
"formula_reduced": "Ba3SrAg4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-109925",
"created_at": "2022-09-04T14:38:09.458104Z",
"updated_at": "2022-09-04T14:38:09.458123Z",
"structure_string": "Ba6 Sr2\n1.0\n8.665964 0.000000 0.000000\n-4.332982 7.504945 0.000000\n-0.000000 -0.000000 7.118969\nBa Sr\n6 2\ndirect\n0.166978 0.333956 0.250000 Ba\n0.666044 0.833022 0.250000 Ba\n0.166978 0.833022 0.250000 Ba\n0.833022 0.666044 0.750000 Ba\n0.333956 0.166978 0.750000 Ba\n0.833022 0.166978 0.750000 Ba\n0.333333 0.666666 0.750000 Sr\n0.666666 0.333333 0.250000 Sr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Sr"
],
"chemical_system": "Ba-Sr",
"density": 3.5836112880527144,
"density_atomic": 0.017278597611482996,
"volume": 463.0005385786267,
"volume_molar": 34.85318019095376,
"formula_full": "Ba6 Sr2",
"formula_reduced": "Ba3Sr",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-92184",
"created_at": "2022-09-04T14:35:41.525428Z",
"updated_at": "2022-09-04T14:35:41.525456Z",
"structure_string": "Ba3 Sn1 S4\n1.0\n6.304837 0.000000 -0.000000\n0.000000 6.304837 -0.000000\n0.000000 0.000000 6.304837\nBa Sn S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"S"
],
"chemical_system": "Ba-S-Sn",
"density": 4.365968815260486,
"density_atomic": 0.031920405333149444,
"volume": 250.6233838983233,
"volume_molar": 18.866116194790255,
"formula_full": "Ba3 Sn1 S4",
"formula_reduced": "Ba3SnS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.83168870125,
"spacegroup": 221
},
{
"id": "jvasp-18523",
"created_at": "2022-09-04T14:36:33.838589Z",
"updated_at": "2022-09-04T14:36:33.838616Z",
"structure_string": "Ba3 Sn1 O1\n1.0\n5.483190 0.000000 -0.000000\n0.000000 5.483190 -0.000000\n0.000000 0.000000 5.483190\nBa Sn O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"O"
],
"chemical_system": "Ba-O-Sn",
"density": 5.506690399531765,
"density_atomic": 0.030329839996441333,
"volume": 164.85415025554573,
"volume_molar": 19.855497954181725,
"formula_full": "Ba3 Sn1 O1",
"formula_reduced": "Ba3SnO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.134972622,
"spacegroup": 221
},
{
"id": "jvasp-97335",
"created_at": "2022-09-04T14:36:10.609103Z",
"updated_at": "2022-09-04T14:36:10.609130Z",
"structure_string": "Ba12 Sn8 As16\n1.0\n8.041075 0.012683 0.000000\n-3.091185 7.513612 0.000000\n0.000000 0.000000 20.073030\nBa Sn As\n12 8 16\ndirect\n0.987464 0.740832 0.936158 Ba\n0.990733 0.788997 0.683034 Ba\n0.509266 0.211002 0.183034 Ba\n0.490733 0.788997 0.816966 Ba\n0.006086 0.262193 0.561103 Ba\n0.009267 0.211003 0.316966 Ba\n0.993914 0.737807 0.438897 Ba\n0.506085 0.262193 0.938897 Ba\n0.487465 0.740832 0.563842 Ba\n0.012535 0.259167 0.063842 Ba\n0.493914 0.737807 0.061103 Ba\n0.512535 0.259167 0.436158 Ba\n0.525105 0.209456 0.622810 Sn\n0.901770 0.316710 0.758187 Sn\n0.401771 0.316710 0.741813 Sn\n0.098229 0.683289 0.241813 Sn\n0.598229 0.683289 0.258187 Sn\n0.974895 0.790543 0.122810 Sn\n0.025105 0.209457 0.877190 Sn\n0.474895 0.790543 0.377190 Sn\n0.217067 0.515403 0.698352 As\n0.752018 0.499080 0.064257 As\n0.252018 0.499080 0.435743 As\n0.247982 0.500919 0.935743 As\n0.247334 -0.000458 0.553892 As\n0.252666 0.000458 0.053892 As\n0.752666 0.000458 0.446108 As\n0.747333 -0.000458 0.946108 As\n0.283902 0.967907 0.317330 As\n0.783901 0.967906 0.182670 As\n0.716098 0.032093 0.682670 As\n0.282933 0.484596 0.198352 As\n0.782933 0.484596 0.301648 As\n0.717067 0.515403 0.801648 As\n0.216098 0.032093 0.817330 As\n0.747982 0.500919 0.564257 As\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"As"
],
"chemical_system": "As-Ba-Sn",
"density": 5.194667555692638,
"density_atomic": 0.02966504171200382,
"volume": 1213.549616733988,
"volume_molar": 20.300462808933688,
"formula_full": "Ba12 Sn8 As16",
"formula_reduced": "Ba3(SnAs2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.132850923333333,
"spacegroup": 14
}
]
}