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=elements&page=1243",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=1241",
"results": [
{
"id": "jvasp-66682",
"created_at": "2022-09-04T14:35:53.844179Z",
"updated_at": "2022-09-04T14:35:53.844208Z",
"structure_string": "Ba1 Ca1 Cr1\n1.0\n0.000000 3.958063 3.958063\n3.958063 -0.000000 3.958063\n3.958063 3.958063 0.000000\nBa Ca Cr\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Cr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Cr"
],
"chemical_system": "Ba-Ca-Cr",
"density": 3.0716129523023827,
"density_atomic": 0.024190405667710208,
"volume": 124.01610957704833,
"volume_molar": 24.894748946018968,
"formula_full": "Ba1 Ca1 Cr1",
"formula_reduced": "BaCaCr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5867579299999997,
"spacegroup": 216
},
{
"id": "jvasp-64108",
"created_at": "2022-09-04T14:36:00.334946Z",
"updated_at": "2022-09-04T14:36:00.334977Z",
"structure_string": "Ba4 Ca1 Fe1\n1.0\n-0.000000 5.137907 5.137907\n5.137907 0.000000 5.137907\n5.137907 5.137907 0.000000\nBa Ca Fe\n4 1 1\ndirect\n0.119830 0.626724 0.626724 Ba\n0.626724 0.626724 0.626724 Ba\n0.626724 0.119830 0.626724 Ba\n0.626724 0.626724 0.119830 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Fe"
],
"chemical_system": "Ba-Ca-Fe",
"density": 3.9498045865699347,
"density_atomic": 0.0221188497171132,
"volume": 271.2618457440778,
"volume_molar": 27.226283631470725,
"formula_full": "Ba4 Ca1 Fe1",
"formula_reduced": "Ba4CaFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5415249666666666,
"spacegroup": 216
},
{
"id": "jvasp-68952",
"created_at": "2022-09-04T14:36:10.978539Z",
"updated_at": "2022-09-04T14:36:10.978553Z",
"structure_string": "Ba1 Ca2 Ga1\n1.0\n3.761145 0.000000 0.000000\n0.000000 3.761145 0.000000\n0.000000 0.000000 10.146749\nBa Ca Ga\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Ba\n0.000000 0.000000 0.828617 Ca\n0.000000 0.000000 0.171383 Ca\n0.500001 0.500001 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ga"
],
"chemical_system": "Ba-Ca-Ga",
"density": 3.322580678008259,
"density_atomic": 0.027867173438349713,
"volume": 143.5380595326312,
"volume_molar": 21.61015997306912,
"formula_full": "Ba1 Ca2 Ga1",
"formula_reduced": "BaCa2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-69117",
"created_at": "2022-09-04T14:36:19.037854Z",
"updated_at": "2022-09-04T14:36:19.037878Z",
"structure_string": "Ba2 Ca1 Ge1\n1.0\n0.000000 4.204713 4.204713\n4.204713 -0.000000 4.204713\n4.204713 4.204713 0.000000\nBa Ca Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ge"
],
"chemical_system": "Ba-Ca-Ge",
"density": 4.326515409043883,
"density_atomic": 0.026904252039461042,
"volume": 148.67538388107258,
"volume_molar": 22.383602231971356,
"formula_full": "Ba2 Ca1 Ge1",
"formula_reduced": "Ba2CaGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0662364925,
"spacegroup": 225
},
{
"id": "jvasp-64452",
"created_at": "2022-09-04T14:38:13.127758Z",
"updated_at": "2022-09-04T14:38:13.127788Z",
"structure_string": "Ba4 Ca1 Ge1\n1.0\n-0.000000 5.129761 5.129761\n5.129761 0.000000 5.129761\n5.129761 5.129761 0.000000\nBa Ca Ge\n4 1 1\ndirect\n0.118921 0.627026 0.627026 Ba\n0.627026 0.627026 0.627026 Ba\n0.627026 0.118921 0.627026 Ba\n0.627026 0.627026 0.118921 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ge"
],
"chemical_system": "Ba-Ca-Ge",
"density": 4.07195297127609,
"density_atomic": 0.022224390555294585,
"volume": 269.9736573235571,
"volume_molar": 27.09698943157443,
"formula_full": "Ba4 Ca1 Ge1",
"formula_reduced": "Ba4CaGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0394879849999999,
"spacegroup": 216
},
{
"id": "jvasp-11430",
"created_at": "2022-09-04T14:37:15.228675Z",
"updated_at": "2022-09-04T14:37:15.228691Z",
"structure_string": "Ba4 Ca4 Ge4\n1.0\n5.074501 0.000000 0.000000\n-0.000000 8.583408 0.000000\n0.000000 0.000000 9.102159\nBa Ca Ge\n4 4 4\ndirect\n0.250000 0.027827 0.175195 Ba\n0.750000 0.972173 0.824806 Ba\n0.250000 0.527827 0.324805 Ba\n0.750000 0.472173 0.675195 Ba\n0.750000 0.858425 0.424094 Ca\n0.250000 0.641575 0.924094 Ca\n0.750000 0.358425 0.075907 Ca\n0.250000 0.141575 0.575907 Ca\n0.250000 0.283082 0.891911 Ge\n0.750000 0.216918 0.391911 Ge\n0.250000 0.783082 0.608089 Ge\n0.750000 0.716918 0.108089 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ge"
],
"chemical_system": "Ba-Ca-Ge",
"density": 4.1891869963311885,
"density_atomic": 0.030268000284652246,
"volume": 396.45830207305585,
"volume_molar": 19.896064171287854,
"formula_full": "Ba4 Ca4 Ge4",
"formula_reduced": "BaCaGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-66126",
"created_at": "2022-09-04T14:35:42.943620Z",
"updated_at": "2022-09-04T14:35:42.943658Z",
"structure_string": "Ba1 Ca1 Hg1\n1.0\n-0.000000 3.935268 3.935268\n3.935268 0.000000 3.935268\n3.935268 3.935268 0.000000\nBa Ca Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Hg"
],
"chemical_system": "Ba-Ca-Hg",
"density": 5.1497033814029205,
"density_atomic": 0.024613213385711596,
"volume": 121.88575107960315,
"volume_molar": 24.46710498798974,
"formula_full": "Ba1 Ca1 Hg1",
"formula_reduced": "BaCaHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-42943",
"created_at": "2022-09-04T14:36:06.959185Z",
"updated_at": "2022-09-04T14:36:06.959218Z",
"structure_string": "Ba2 Ca4 I12\n1.0\n-0.000000 7.663398 0.000000\n-12.150897 3.831699 -0.103170\n-0.205393 0.000000 8.165693\nBa Ca I\n2 4 12\ndirect\n0.780958 -0.000000 0.750000 Ba\n0.219042 -0.000000 0.250000 Ba\n0.407456 0.658799 0.844833 Ca\n0.933746 0.658799 0.344833 Ca\n0.066254 0.341201 0.655166 Ca\n0.592545 0.341201 0.155167 Ca\n0.823854 0.216321 0.460804 I\n0.959827 0.216321 0.960804 I\n0.196557 0.423735 0.318456 I\n0.379708 0.423735 0.818456 I\n0.620292 0.576264 0.181544 I\n0.176146 0.783680 0.539196 I\n0.040173 0.783680 0.039196 I\n0.348026 0.127789 0.588462 I\n0.651974 0.872211 0.411538 I\n0.475815 0.872211 0.911538 I\n0.803443 0.576264 0.681543 I\n0.524185 0.127789 0.088462 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.274706166516078,
"density_atomic": 0.02366775115828995,
"volume": 760.5285301343578,
"volume_molar": 25.44449922480558,
"formula_full": "Ba2 Ca4 I12",
"formula_reduced": "BaCa2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0031222222222226,
"spacegroup": 15
},
{
"id": "jvasp-52288",
"created_at": "2022-09-04T14:37:01.517260Z",
"updated_at": "2022-09-04T14:37:01.517283Z",
"structure_string": "Ba2 Ca1 I6\n1.0\n8.420333 -0.000000 -0.000930\n-4.210166 7.292286 0.000466\n0.000223 -0.000000 7.073500\nBa Ca I\n2 1 6\ndirect\n0.333299 0.666670 0.500006 Ba\n0.666629 0.333331 0.500005 Ba\n-0.000009 0.000000 0.000012 Ca\n0.999968 0.681674 0.766852 I\n0.999969 0.318287 0.233195 I\n0.318295 0.318327 0.766852 I\n0.681682 0.681713 0.233195 I\n0.318357 0.000000 0.233087 I\n0.681707 0.000000 0.766796 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.114320763480624,
"density_atomic": 0.020721213714747097,
"volume": 434.33749219017915,
"volume_molar": 29.062683503496213,
"formula_full": "Ba2 Ca1 I6",
"formula_reduced": "Ba2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0037272222222222,
"spacegroup": 162
},
{
"id": "jvasp-12162",
"created_at": "2022-09-04T14:35:50.126579Z",
"updated_at": "2022-09-04T14:35:50.126606Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n6.888576 0.000000 0.077634\n0.000000 4.728891 0.000000\n0.074949 0.000000 8.393813\nBa Ca I\n1 1 4\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.270789 0.000000 0.692211 I\n0.250200 0.500000 0.141801 I\n0.749800 0.500000 0.858198 I\n0.729212 0.000000 0.307788 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.160541253690824,
"density_atomic": 0.02194557216206117,
"volume": 273.4036713963018,
"volume_molar": 27.441256557488586,
"formula_full": "Ba1 Ca1 I4",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0040199999999999,
"spacegroup": 10
},
{
"id": "jvasp-114544",
"created_at": "2022-09-04T14:38:41.115660Z",
"updated_at": "2022-09-04T14:38:41.115678Z",
"structure_string": "Ba1 Ca1 I1\n1.0\n4.074335 -0.000000 -0.000000\n0.000000 4.074335 -0.000000\n0.000000 0.000000 10.168785\nBa Ca I\n1 1 1\ndirect\n0.000000 0.000000 0.322982 Ba\n0.000000 0.000000 0.708001 Ca\n0.000000 0.000000 -0.001624 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 2.993519080412433,
"density_atomic": 0.017772098853400104,
"volume": 168.80392264001216,
"volume_molar": 33.8853660992768,
"formula_full": "Ba1 Ca1 I1",
"formula_reduced": "BaCaI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0284133333333333,
"spacegroup": 99
},
{
"id": "jvasp-114543",
"created_at": "2022-09-04T14:38:42.409217Z",
"updated_at": "2022-09-04T14:38:42.409247Z",
"structure_string": "Ba1 Ca1 I1\n1.0\n6.327913 -0.000000 -0.000000\n-3.163957 5.480134 0.000000\n-0.000000 -0.000000 3.881477\nBa Ca I\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333332 0.666666 0.000000 Ca\n0.666666 0.333333 0.000000 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 3.75418673220139,
"density_atomic": 0.022288074980171452,
"volume": 134.6011265068403,
"volume_molar": 27.019564342625312,
"formula_full": "Ba1 Ca1 I1",
"formula_reduced": "BaCaI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0262833333333333,
"spacegroup": 187
}
]
}