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=-chemical_system&page=3853",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3851",
"results": [
{
"id": "jvasp-34642",
"created_at": "2022-09-04T14:36:47.761649Z",
"updated_at": "2022-09-04T14:36:47.761669Z",
"structure_string": "Ba2 Mn2 F8\n1.0\n4.134889 -0.000000 -1.151005\n0.000000 5.984156 0.000000\n-0.054628 0.000000 7.806380\nBa Mn F\n2 2 8\ndirect\n0.847181 0.951761 0.694361 Ba\n0.152819 0.451760 0.305639 Ba\n0.413648 0.494911 0.827297 Mn\n0.586352 0.994912 0.172703 Mn\n0.921614 0.513109 0.843229 F\n0.078385 0.013109 0.156772 F\n0.463492 0.840276 0.926986 F\n0.536508 0.340276 0.073015 F\n0.701675 0.198156 0.403351 F\n0.298325 0.698156 0.596650 F\n0.669968 0.721390 0.339935 F\n0.330032 0.221390 0.660065 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"F"
],
"chemical_system": "Ba-F-Mn",
"density": 4.621289774727347,
"density_atomic": 0.06224602274687349,
"volume": 192.78340158050884,
"volume_molar": 9.67473983757859,
"formula_full": "Ba2 Mn2 F8",
"formula_reduced": "BaMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0866173902298849,
"spacegroup": 36
},
{
"id": "jvasp-91402",
"created_at": "2022-09-04T14:35:53.439344Z",
"updated_at": "2022-09-04T14:35:53.439367Z",
"structure_string": "Ba4 Mg6 F20\n1.0\n5.697595 0.000000 -1.832872\n-0.902879 7.260793 -2.806652\n0.004954 0.010640 9.787492\nBa Mg F\n4 6 20\ndirect\n0.717436 0.315029 0.434875 Ba\n0.282562 0.684971 0.565124 Ba\n0.614027 0.719592 0.228056 Ba\n0.385972 0.280408 0.771944 Ba\n0.253734 -0.000000 0.000000 Mg\n0.177197 0.016179 0.354395 Mg\n0.746265 -0.000000 0.000000 Mg\n0.073825 0.453853 0.147651 Mg\n0.926173 0.546147 0.852348 Mg\n0.822801 0.983821 0.645605 Mg\n0.866345 0.256602 0.732691 F\n0.780513 0.500000 0.000000 F\n0.219486 0.500000 0.000000 F\n0.517107 0.180965 0.034215 F\n0.482891 0.819035 0.965785 F\n0.236520 0.281027 0.473041 F\n0.763478 0.718973 0.526959 F\n0.133653 0.743397 0.267309 F\n0.021788 0.181971 0.043576 F\n0.089840 0.526911 0.704154 F\n0.614313 0.526911 0.704154 F\n0.910158 0.473089 0.295845 F\n0.385686 0.473089 0.295845 F\n-0.000000 -0.000000 0.500000 F\n0.636347 0.973910 0.778625 F\n0.857722 0.026090 0.221374 F\n0.363651 0.026090 0.221374 F\n0.142276 0.973910 0.778625 F\n0.978210 0.818028 0.956424 F\n0.499999 -0.000000 0.500000 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"F"
],
"chemical_system": "Ba-F-Mg",
"density": 4.406373880564509,
"density_atomic": 0.07404610014119624,
"volume": 405.15300526015443,
"volume_molar": 8.1329614233789,
"formula_full": "Ba4 Mg6 F20",
"formula_reduced": "Ba2Mg3F10",
"formula_anonymous": "A2B3C10",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-89367",
"created_at": "2022-09-04T14:35:44.912648Z",
"updated_at": "2022-09-04T14:35:44.912675Z",
"structure_string": "Ba2 Li2 Zr4 F22\n1.0\n7.090006 0.008867 -3.946607\n-4.642118 6.651750 -0.221210\n0.006188 -0.008867 8.114422\nBa Li Zr F\n2 2 4 22\ndirect\n-0.000000 0.804910 0.804910 Ba\n-0.000000 0.195089 0.195089 Ba\n0.500000 0.750000 0.250000 Li\n0.500000 0.250000 0.750000 Li\n0.852751 0.214249 0.638502 Zr\n0.424254 0.638502 0.785751 Zr\n0.147249 0.785751 0.361498 Zr\n0.575746 0.361498 0.214249 Zr\n0.434612 0.489666 0.275153 F\n0.278657 0.811193 0.677563 F\n0.866370 0.467463 0.188806 F\n0.866370 0.677564 0.398907 F\n0.565388 0.840542 0.055055 F\n0.785488 0.944945 0.510334 F\n0.500000 0.500000 -0.000000 F\n0.071945 0.188958 0.882986 F\n0.721343 0.398907 0.532537 F\n0.500000 -0.000000 0.500000 F\n0.214512 0.724847 0.159458 F\n0.785488 0.275153 0.840541 F\n0.133630 0.532537 0.811193 F\n0.305972 0.117014 0.188958 F\n0.278657 0.601093 0.467463 F\n0.721343 0.188807 0.322437 F\n0.214513 0.055055 0.489666 F\n0.565389 0.510334 0.724846 F\n0.694029 0.882986 0.811042 F\n0.133630 0.322436 0.601093 F\n0.928056 0.811042 0.117013 F\n0.434612 0.159458 0.944945 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Zr",
"F"
],
"chemical_system": "Ba-F-Li-Zr",
"density": 4.645112775110366,
"density_atomic": 0.07832818190988036,
"volume": 383.00391083398534,
"volume_molar": 7.688344875575829,
"formula_full": "Ba2 Li2 Zr4 F22",
"formula_reduced": "BaLiZr2F11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.3566632051666667,
"spacegroup": 87
},
{
"id": "jvasp-58243",
"created_at": "2022-09-04T14:37:40.239873Z",
"updated_at": "2022-09-04T14:37:40.239895Z",
"structure_string": "Ba1 Li1 F3\n1.0\n4.009088 0.000000 -0.000000\n-0.000000 4.009088 0.000000\n-0.000000 -0.000000 4.009088\nBa Li F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Li",
"F"
],
"chemical_system": "Ba-F-Li",
"density": 5.186527968250374,
"density_atomic": 0.07759491054860523,
"volume": 64.43721585152178,
"volume_molar": 7.760999680807349,
"formula_full": "Ba1 Li1 F3",
"formula_reduced": "BaLiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-103083",
"created_at": "2022-09-04T14:36:43.929150Z",
"updated_at": "2022-09-04T14:36:43.929179Z",
"structure_string": "K1 Ba1 Li1 Zn1 F6\n1.0\n4.962240 -0.000000 2.864950\n1.654080 4.678444 2.864950\n0.000000 0.000000 5.729901\nK Ba Li Zn F\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Li\n0.750000 0.749999 0.750000 Zn\n0.001620 0.498379 0.498380 F\n0.001620 0.001620 0.498380 F\n0.498380 0.001620 0.498380 F\n0.498380 0.498379 0.001620 F\n0.001620 0.498379 0.001620 F\n0.498380 0.001620 0.001620 F\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ba",
"Li",
"Zn",
"F"
],
"chemical_system": "Ba-F-K-Li-Zn",
"density": 4.528444178374576,
"density_atomic": 0.07517504227118958,
"volume": 133.0228716589953,
"volume_molar": 8.010824574298846,
"formula_full": "K1 Ba1 Li1 Zn1 F6",
"formula_reduced": "KBaLiZnF6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-17265",
"created_at": "2022-09-04T14:38:16.832134Z",
"updated_at": "2022-09-04T14:38:16.832144Z",
"structure_string": "Ba1 Ir1 F6\n1.0\n4.872201 0.004182 -0.653511\n-0.747568 4.814510 -0.653509\n0.003581 0.004181 4.915832\nBa Ir F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ir\n0.769783 0.662340 0.065543 F\n0.230216 0.337659 0.934457 F\n0.934457 0.230216 0.337659 F\n0.337659 0.934457 0.230216 F\n0.065542 0.769784 0.662340 F\n0.662340 0.065542 0.769783 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Ir",
"F"
],
"chemical_system": "Ba-F-Ir",
"density": 6.38475183343471,
"density_atomic": 0.06935177538870806,
"volume": 115.35393225567762,
"volume_molar": 8.683470215789937,
"formula_full": "Ba1 Ir1 F6",
"formula_reduced": "BaIrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1848885956249999,
"spacegroup": 148
},
{
"id": "jvasp-34331",
"created_at": "2022-09-04T14:36:39.075557Z",
"updated_at": "2022-09-04T14:36:39.075575Z",
"structure_string": "Ba2 Pb4 I2 F10\n1.0\n6.075368 0.000000 -0.000000\n0.000000 6.075368 0.000000\n0.000000 0.000000 9.998971\nBa Pb I F\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.692040 Pb\n0.500000 0.000000 0.733496 Pb\n0.000000 0.500000 0.266504 Pb\n0.500000 0.000000 0.307960 Pb\n0.000000 0.000000 0.500000 I\n0.500000 0.500000 0.500000 I\n0.236218 0.736218 0.819821 F\n0.500000 0.000000 0.966725 F\n0.736218 0.763783 0.180179 F\n0.236218 0.263783 0.819821 F\n0.000000 0.500000 0.033275 F\n0.763783 0.736218 0.819821 F\n0.263783 0.763783 0.180179 F\n0.763783 0.263783 0.819821 F\n0.263783 0.236218 0.180179 F\n0.736218 0.236218 0.180179 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Pb",
"I",
"F"
],
"chemical_system": "Ba-F-I-Pb",
"density": 6.961586943070904,
"density_atomic": 0.04877216311498473,
"volume": 369.0629828651108,
"volume_molar": 12.347495733995364,
"formula_full": "Ba2 Pb4 I2 F10",
"formula_reduced": "BaPb2IF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-12382",
"created_at": "2022-09-04T14:38:09.715202Z",
"updated_at": "2022-09-04T14:38:09.715227Z",
"structure_string": "Ba3 In2 O5 F2\n1.0\n4.156810 0.000000 -0.749624\n-0.135184 4.154611 -0.749624\n0.002761 0.002851 11.915281\nBa In O F\n3 2 5 2\ndirect\n0.500001 0.500000 0.000000 Ba\n0.676902 0.676901 0.353804 Ba\n0.323099 0.323098 0.646196 Ba\n0.908851 0.908850 0.817700 In\n0.091150 0.091150 0.182301 In\n0.103741 0.603741 0.207482 O\n0.603741 0.103741 0.207482 O\n0.000000 0.000000 0.000000 O\n0.896260 0.396259 0.792519 O\n0.396260 0.896259 0.792519 O\n0.205236 0.205235 0.410470 F\n0.794765 0.794764 0.589530 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"In",
"O",
"F"
],
"chemical_system": "Ba-F-In-O",
"density": 6.129257915575709,
"density_atomic": 0.05831078803572461,
"volume": 205.79382313694845,
"volume_molar": 10.32766142057707,
"formula_full": "Ba3 In2 O5 F2",
"formula_reduced": "Ba3In2O5F2",
"formula_anonymous": "A2B2C3D5",
"energy_above_hull": 0.7966746595833334,
"spacegroup": 139
},
{
"id": "jvasp-36747",
"created_at": "2022-09-04T14:37:57.735553Z",
"updated_at": "2022-09-04T14:37:57.735570Z",
"structure_string": "Ba6 In2 N1 F1\n1.0\n0.000000 5.580304 5.580304\n5.580304 0.000000 5.580304\n5.580304 5.580304 0.000000\nBa In N F\n6 2 1 1\ndirect\n0.242683 0.757316 0.757316 Ba\n0.242683 0.757316 0.242683 Ba\n0.757316 0.242683 0.757316 Ba\n0.757316 0.757316 0.242683 Ba\n0.242683 0.242683 0.757316 Ba\n0.757316 0.242683 0.242683 Ba\n0.250000 0.250000 0.250000 In\n0.749999 0.749999 0.749999 In\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"In",
"N",
"F"
],
"chemical_system": "Ba-F-In-N",
"density": 5.191782215807597,
"density_atomic": 0.028773747486627633,
"volume": 347.53901988774385,
"volume_molar": 20.92928897356433,
"formula_full": "Ba6 In2 N1 F1",
"formula_reduced": "Ba6In2NF",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.2049669292499999,
"spacegroup": 225
},
{
"id": "jvasp-117583",
"created_at": "2022-09-04T14:38:52.042146Z",
"updated_at": "2022-09-04T14:38:52.042174Z",
"structure_string": "Ba1 In1 F1\n1.0\n3.785722 0.000000 0.000000\n0.000000 3.785722 -0.000000\n-0.000000 0.000000 8.076666\nBa In F\n1 1 1\ndirect\n0.000000 0.000000 0.423152 Ba\n0.000000 0.000000 -0.005190 In\n0.000000 0.000000 0.721217 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"In",
"F"
],
"chemical_system": "Ba-F-In",
"density": 3.889722139444614,
"density_atomic": 0.025917415625089566,
"volume": 115.75228191717639,
"volume_molar": 23.235884499881298,
"formula_full": "Ba1 In1 F1",
"formula_reduced": "BaInF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-117584",
"created_at": "2022-09-04T14:38:51.428976Z",
"updated_at": "2022-09-04T14:38:51.428988Z",
"structure_string": "Ba1 In1 F2\n1.0\n3.809621 -0.000000 0.000000\n0.000000 3.809621 0.000000\n0.000000 -0.000000 6.207899\nBa In F\n1 1 2\ndirect\n0.500000 0.500000 0.510909 Ba\n0.000000 0.000000 0.945379 In\n0.000000 0.000000 0.432845 F\n0.500000 0.500000 0.120866 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"F"
],
"chemical_system": "Ba-F-In",
"density": 5.347505272509063,
"density_atomic": 0.04439681392570327,
"volume": 90.0965552774548,
"volume_molar": 13.56435344679884,
"formula_full": "Ba1 In1 F2",
"formula_reduced": "BaInF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-117585",
"created_at": "2022-09-04T14:38:51.707781Z",
"updated_at": "2022-09-04T14:38:51.707811Z",
"structure_string": "Ba1 In1 F2\n1.0\n4.807425 0.000000 0.000000\n0.000000 4.807425 -0.000000\n0.000000 0.000000 3.564208\nBa In F\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 In\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"F"
],
"chemical_system": "Ba-F-In",
"density": 5.84886142941899,
"density_atomic": 0.0485592438578933,
"volume": 82.37360556325467,
"volume_molar": 12.401636190265968,
"formula_full": "Ba1 In1 F2",
"formula_reduced": "BaInF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.031575,
"spacegroup": 123
}
]
}