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=130",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=128",
"results": [
{
"id": "jvasp-118879",
"created_at": "2022-09-04T14:38:29.948770Z",
"updated_at": "2022-09-04T14:38:29.948797Z",
"structure_string": "As1 I2\n1.0\n4.078716 0.000000 0.000000\n0.000000 3.780135 0.000000\n0.000000 0.000000 8.019364\nAs I\n1 2\ndirect\n0.417550 0.000000 0.000000 As\n-0.008775 0.000000 0.744821 I\n-0.008775 0.000000 0.255178 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 4.4148753621785675,
"density_atomic": 0.0242633381839879,
"volume": 123.64333288565335,
"volume_molar": 24.81991848909805,
"formula_full": "As1 I2",
"formula_reduced": "AsI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5100481000000001,
"spacegroup": 25
},
{
"id": "jvasp-118884",
"created_at": "2022-09-04T14:38:47.782014Z",
"updated_at": "2022-09-04T14:38:47.782029Z",
"structure_string": "As1 I2\n1.0\n5.626181 -0.000000 -0.000000\n-2.813091 4.872416 -0.000000\n-0.000000 -0.000000 3.677734\nAs I\n1 2\ndirect\n0.000000 0.000000 0.000000 As\n0.333334 0.666668 0.000000 I\n0.666667 0.333334 0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 5.414405465837737,
"density_atomic": 0.02975657070826726,
"volume": 100.8180690379927,
"volume_molar": 20.23802009660633,
"formula_full": "As1 I2",
"formula_reduced": "AsI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6786981000000001,
"spacegroup": 191
},
{
"id": "jvasp-118883",
"created_at": "2022-09-04T14:38:50.669494Z",
"updated_at": "2022-09-04T14:38:50.669510Z",
"structure_string": "As1 I3\n1.0\n7.647281 -0.000000 -0.000000\n-3.823640 6.622740 0.000000\n-0.000000 -0.000000 3.185575\nAs I\n1 3\ndirect\n0.000000 0.000000 0.000000 As\n0.371320 0.000000 0.000000 I\n1.000000 0.371320 0.000000 I\n0.628680 0.628680 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 4.689576186427769,
"density_atomic": 0.024792904223204102,
"volume": 161.33648418067665,
"volume_molar": 24.2897754364887,
"formula_full": "As1 I3",
"formula_reduced": "AsI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.34744014375,
"spacegroup": 189
},
{
"id": "jvasp-3636",
"created_at": "2022-09-04T14:36:00.005922Z",
"updated_at": "2022-09-04T14:36:00.005942Z",
"structure_string": "As2 I6\n1.0\n6.310092 -0.097687 4.798134\n2.324383 5.867204 4.798132\n-0.146194 -0.097683 7.925780\nAs I\n2 6\ndirect\n0.173977 0.173977 0.173977 As\n0.826023 0.826023 0.826023 As\n0.420736 0.072042 0.756167 I\n0.756167 0.420735 0.072042 I\n0.072042 0.756167 0.420736 I\n0.579264 0.927957 0.243833 I\n0.243833 0.579264 0.927957 I\n0.927958 0.243833 0.579264 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 5.022488408431534,
"density_atomic": 0.026552948309652925,
"volume": 301.2848105116719,
"volume_molar": 22.679744221890196,
"formula_full": "As2 I6",
"formula_reduced": "AsI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.28959764375,
"spacegroup": 148
},
{
"id": "jvasp-118870",
"created_at": "2022-09-04T14:38:48.866873Z",
"updated_at": "2022-09-04T14:38:48.866894Z",
"structure_string": "As1 I5\n1.0\n6.369916 0.000000 0.000000\n0.000000 8.580713 0.000000\n0.000000 0.000000 8.579462\nAs I\n1 5\ndirect\n0.818278 0.000000 0.500000 As\n0.731035 0.000000 0.176336 I\n0.721651 0.676427 0.500000 I\n0.721651 0.323573 0.500000 I\n0.220577 0.000000 0.500000 I\n0.731035 0.000000 0.823664 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 2.512175930590372,
"density_atomic": 0.012794818031609706,
"volume": 468.93984620781237,
"volume_molar": 47.06702936393664,
"formula_full": "As1 I5",
"formula_reduced": "AsI5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.1622321874999999,
"spacegroup": 99
},
{
"id": "jvasp-115403",
"created_at": "2022-09-04T14:38:46.708787Z",
"updated_at": "2022-09-04T14:38:46.708817Z",
"structure_string": "As1 I1 F1\n1.0\n4.795787 -0.000000 -0.000000\n-2.397894 4.153274 0.000000\n-0.000000 0.000000 3.509973\nAs I F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.666668 0.333333 0.000000 I\n0.333333 0.666665 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"As",
"I",
"F"
],
"chemical_system": "As-F-I",
"density": 5.244958488947949,
"density_atomic": 0.04291083934765188,
"volume": 69.91240548092804,
"volume_molar": 14.034078222544805,
"formula_full": "As1 I1 F1",
"formula_reduced": "AsIF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4738770875,
"spacegroup": 187
},
{
"id": "jvasp-91433",
"created_at": "2022-09-04T14:36:19.891164Z",
"updated_at": "2022-09-04T14:36:19.891181Z",
"structure_string": "As4 I4 F48\n1.0\n9.302260 -0.000000 0.000000\n0.000000 9.302260 0.000000\n0.000000 0.000000 9.302260\nAs I F\n4 4 48\ndirect\n0.000000 0.000000 0.500000 As\n0.000000 0.500000 0.000000 As\n0.500000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 I\n0.500000 0.000000 0.500000 I\n0.500000 0.500000 0.000000 I\n0.000000 0.500000 0.500000 I\n0.855789 0.561960 0.108766 F\n0.382043 0.643710 0.936211 F\n0.143710 0.936211 0.117957 F\n0.438040 0.891234 0.144211 F\n0.143710 0.563789 0.617957 F\n0.144211 0.061960 0.391234 F\n0.391234 0.144211 0.061960 F\n0.891234 0.144211 0.438040 F\n0.063789 0.882043 0.856290 F\n0.856290 0.436211 0.382043 F\n0.563789 0.617957 0.143710 F\n0.608766 0.855789 0.938040 F\n0.117957 0.356290 0.436211 F\n0.644211 0.438040 0.608766 F\n0.436211 0.382043 0.856290 F\n0.355789 0.561960 0.391234 F\n0.938040 0.608766 0.855789 F\n0.617957 0.143710 0.563789 F\n0.936211 0.382043 0.643710 F\n0.938040 0.891234 0.355789 F\n0.391234 0.355789 0.561960 F\n0.608766 0.644211 0.438040 F\n0.561960 0.108766 0.855789 F\n0.855789 0.938040 0.608766 F\n0.063789 0.617957 0.356290 F\n0.882043 0.643710 0.563789 F\n0.438040 0.608766 0.644211 F\n0.891234 0.355789 0.938040 F\n0.117957 0.143710 0.936211 F\n0.356290 0.436211 0.117957 F\n0.382043 0.856290 0.436211 F\n0.355789 0.938040 0.891234 F\n0.061960 0.391234 0.144211 F\n0.356290 0.063789 0.617957 F\n0.882043 0.856290 0.063789 F\n0.061960 0.108766 0.644211 F\n0.561960 0.391234 0.355789 F\n0.856290 0.063789 0.882043 F\n0.436211 0.117957 0.356290 F\n0.144211 0.438040 0.891234 F\n0.643710 0.563789 0.882043 F\n0.643710 0.936211 0.382043 F\n0.644211 0.061960 0.108766 F\n0.617957 0.356290 0.063789 F\n0.108766 0.855789 0.561960 F\n0.936211 0.117957 0.143710 F\n0.108766 0.644211 0.061960 F\n0.563789 0.882043 0.643710 F\n",
"nsites": 56,
"nelements": 3,
"elements": [
"As",
"I",
"F"
],
"chemical_system": "As-F-I",
"density": 3.546639598168201,
"density_atomic": 0.0695700963971654,
"volume": 804.9435447135833,
"volume_molar": 8.656220232354558,
"formula_full": "As4 I4 F48",
"formula_reduced": "AsIF12",
"formula_anonymous": "ABC12",
"energy_above_hull": 0.0,
"spacegroup": 205
},
{
"id": "jvasp-115404",
"created_at": "2022-09-04T14:38:44.917750Z",
"updated_at": "2022-09-04T14:38:44.917780Z",
"structure_string": "As1 I1 F2\n1.0\n4.162798 0.000000 0.000000\n-0.000000 4.162798 0.000000\n-0.000000 0.000000 4.755350\nAs I F\n1 1 2\ndirect\n0.500001 0.500001 0.714414 As\n0.000000 0.000000 0.836606 I\n0.000000 0.000000 0.359128 F\n0.500001 0.500001 0.099853 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"As",
"I",
"F"
],
"chemical_system": "As-F-I",
"density": 4.832663358913624,
"density_atomic": 0.048540788835488444,
"volume": 82.40492369327912,
"volume_molar": 12.406351244949647,
"formula_full": "As1 I1 F2",
"formula_reduced": "AsIF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2826611249999999,
"spacegroup": 99
},
{
"id": "jvasp-32247",
"created_at": "2022-09-04T14:38:07.391981Z",
"updated_at": "2022-09-04T14:38:07.392011Z",
"structure_string": "As2 I6 F12\n1.0\n5.522292 0.080613 1.321916\n1.530381 7.906937 -0.016635\n-0.015842 -0.212886 10.408188\nAs I F\n2 6 12\ndirect\n0.464479 0.766211 0.804019 As\n0.535521 0.233789 0.195982 As\n0.175230 0.844706 0.221187 I\n0.903410 0.629008 0.159451 I\n0.096590 0.370991 0.840550 I\n0.226709 0.761717 0.466397 I\n0.773291 0.238283 0.533604 I\n0.824770 0.155294 0.778814 I\n0.783048 0.112866 0.071696 F\n0.216952 0.887133 0.928305 F\n0.297207 0.352965 0.322598 F\n0.433033 0.579329 0.889269 F\n0.566967 0.420671 0.110732 F\n0.678042 0.810366 0.892219 F\n0.321958 0.189633 0.107782 F\n0.485241 0.953052 0.716609 F\n0.514759 0.046948 0.283392 F\n0.702793 0.647034 0.677403 F\n0.239423 0.724252 0.717738 F\n0.760577 0.275747 0.282263 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"As",
"I",
"F"
],
"chemical_system": "As-F-I",
"density": 4.177027363945461,
"density_atomic": 0.0441599785811392,
"volume": 452.89877039347186,
"volume_molar": 13.637100726702041,
"formula_full": "As2 I6 F12",
"formula_reduced": "As(IF2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-25000",
"created_at": "2022-09-04T14:37:44.678418Z",
"updated_at": "2022-09-04T14:37:44.678445Z",
"structure_string": "As2 I4 F12\n1.0\n5.773778 0.040269 1.146746\n1.260990 7.643002 1.652030\n0.071945 -0.254611 7.916109\nAs I F\n2 4 12\ndirect\n0.565157 0.689642 0.689642 As\n0.434842 0.310358 0.310359 As\n0.114860 0.916630 0.241033 I\n0.114860 0.241033 0.916630 I\n0.885140 0.758967 0.083370 I\n0.885139 0.083370 0.758968 I\n0.421819 0.838837 0.838838 F\n0.372964 0.542951 0.791866 F\n0.372964 0.791866 0.542951 F\n0.578181 0.161163 0.161163 F\n0.239212 0.158514 0.405187 F\n0.723164 0.545470 0.545470 F\n0.627035 0.457049 0.208135 F\n0.276836 0.454530 0.454530 F\n0.760788 0.841486 0.594814 F\n0.627035 0.208135 0.457049 F\n0.239212 0.405186 0.158514 F\n0.760788 0.594814 0.841487 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"As",
"I",
"F"
],
"chemical_system": "As-F-I",
"density": 4.196540474974955,
"density_atomic": 0.05137534430211579,
"volume": 350.3626154629723,
"volume_molar": 11.72184992977651,
"formula_full": "As2 I4 F12",
"formula_reduced": "As(IF3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0127771500000004,
"spacegroup": 12
},
{
"id": "jvasp-85757",
"created_at": "2022-09-04T14:36:06.720286Z",
"updated_at": "2022-09-04T14:36:06.720313Z",
"structure_string": "As2 I4 F12\n1.0\n5.747545 -0.562864 0.412208\n0.823882 8.546907 -1.177805\n-0.971247 -3.012231 8.068383\nAs I F\n2 4 12\ndirect\n0.445871 0.356561 0.356560 As\n0.554129 0.643441 0.643440 As\n0.800507 0.901908 0.272496 I\n0.800506 0.272496 0.901908 I\n0.199493 0.098093 0.727505 I\n0.199493 0.727505 0.098093 I\n0.604225 0.839026 0.839026 F\n0.271601 0.470889 0.278702 F\n0.308833 0.511815 0.881744 F\n0.308833 0.881744 0.511815 F\n0.728399 0.529112 0.721299 F\n0.747793 0.321396 0.321396 F\n0.691167 0.488186 0.118257 F\n0.252207 0.678605 0.678605 F\n0.691167 0.118257 0.488186 F\n0.728399 0.721299 0.529112 F\n0.395775 0.160975 0.160975 F\n0.271601 0.278702 0.470888 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"As",
"I",
"F"
],
"chemical_system": "As-F-I",
"density": 3.854487222334471,
"density_atomic": 0.047187822764111716,
"volume": 381.45434448163905,
"volume_molar": 12.762065311010888,
"formula_full": "As2 I4 F12",
"formula_reduced": "As(IF3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0431715944444448,
"spacegroup": 12
},
{
"id": "jvasp-118572",
"created_at": "2022-09-04T14:38:52.479535Z",
"updated_at": "2022-09-04T14:38:52.479562Z",
"structure_string": "As1 Ir1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nAs Ir\n1 1\ndirect\n0.000000 0.000000 0.155474 As\n0.000000 0.000000 0.844525 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"As",
"Ir"
],
"chemical_system": "As-Ir",
"density": 0.7636533118175665,
"density_atomic": 0.0034430275049691906,
"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "As1 Ir1",
"formula_reduced": "AsIr",
"formula_anonymous": "AB",
"energy_above_hull": 4.803671425,
"spacegroup": 99
}
]
}