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=density&page=1225",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1223",
"results": [
{
"id": "jvasp-18083",
"created_at": "2022-09-04T14:38:09.216331Z",
"updated_at": "2022-09-04T14:38:09.216354Z",
"structure_string": "Ce2 Mg4\n1.0\n5.217701 0.000000 3.012441\n1.739234 4.919296 3.012441\n0.000000 0.000000 6.024882\nCe Mg\n2 4\ndirect\n0.125000 0.125000 0.125000 Ce\n0.874999 0.875001 0.874999 Ce\n0.500000 0.000000 0.500000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.499999 0.500000 0.500000 Mg\n0.499999 0.500000 -0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 4.053032994902065,
"density_atomic": 0.038799002588927003,
"volume": 154.6431505873907,
"volume_molar": 15.521380340119057,
"formula_full": "Ce2 Mg4",
"formula_reduced": "CeMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5689851190476192,
"spacegroup": 227
},
{
"id": "jvasp-108859",
"created_at": "2022-09-04T14:37:57.059077Z",
"updated_at": "2022-09-04T14:37:57.059097Z",
"structure_string": "Na2 Li1 Bi1 I6\n1.0\n7.275377 -0.000000 4.200441\n2.425126 6.859291 4.200441\n-0.000000 -0.000000 8.400882\nNa Li Bi I\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.743221 0.256780 0.256779 I\n0.256780 0.256780 0.743220 I\n0.256780 0.743220 0.743220 I\n0.256780 0.743220 0.256779 I\n0.743221 0.256780 0.743220 I\n0.743221 0.743220 0.256779 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Bi",
"I"
],
"chemical_system": "Bi-I-Li-Na",
"density": 4.0532578931938,
"density_atomic": 0.023852855914098872,
"volume": 419.2370102772151,
"volume_molar": 25.247042876909564,
"formula_full": "Na2 Li1 Bi1 I6",
"formula_reduced": "Na2LiBiI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-121052",
"created_at": "2022-09-04T14:38:53.797781Z",
"updated_at": "2022-09-04T14:38:53.797813Z",
"structure_string": "Ga1 P1 S1\n1.0\n2.520932 0.000000 -0.000000\n0.000000 2.520932 0.000000\n-0.000000 0.000000 8.558402\nGa P S\n1 1 1\ndirect\n0.000000 -0.000000 0.008496 Ga\n0.000000 -0.000000 0.311977 P\n0.000000 -0.000000 0.691992 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ga",
"P",
"S"
],
"chemical_system": "Ga-P-S",
"density": 4.053285180873297,
"density_atomic": 0.0551577205823988,
"volume": 54.38948470537994,
"volume_molar": 10.918037758655506,
"formula_full": "Ga1 P1 S1",
"formula_reduced": "GaPS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3793626083333337,
"spacegroup": 99
},
{
"id": "jvasp-29756",
"created_at": "2022-09-04T14:37:14.795504Z",
"updated_at": "2022-09-04T14:37:14.795528Z",
"structure_string": "Ga4 Fe4 S10\n1.0\n3.603000 -0.000040 0.000080\n-1.801528 3.120256 -0.000090\n0.000398 -0.000449 29.988062\nGa Fe S\n4 4 10\ndirect\n0.333291 0.666719 0.911821 Ga\n0.666671 0.333376 0.088179 Ga\n0.666651 0.333396 0.411820 Ga\n0.333401 0.666526 0.588180 Ga\n0.000029 -0.000070 0.704448 Fe\n0.000006 0.000042 0.204446 Fe\n-0.000039 -0.000041 0.795554 Fe\n-0.000014 0.000053 0.295552 Fe\n0.333331 0.666738 0.447387 S\n0.666680 0.333370 0.162974 S\n0.333365 0.666693 0.052612 S\n0.666723 0.333199 0.552613 S\n0.666653 0.333394 0.337025 S\n0.333369 0.666582 0.662974 S\n0.666609 0.333394 0.947388 S\n0.333287 0.666644 0.837026 S\n0.333332 0.666710 0.249999 S\n0.666660 0.333283 0.750001 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"S"
],
"chemical_system": "Fe-Ga-S",
"density": 4.053289887590412,
"density_atomic": 0.053391534136480706,
"volume": 337.13209951952257,
"volume_molar": 11.279205322338298,
"formula_full": "Ga4 Fe4 S10",
"formula_reduced": "Ga2Fe2S5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.976540627777778,
"spacegroup": 194
},
{
"id": "jvasp-116146",
"created_at": "2022-09-04T14:38:40.940874Z",
"updated_at": "2022-09-04T14:38:40.940908Z",
"structure_string": "Rb1 H1 Pd1\n1.0\n3.419811 0.000000 0.000000\n0.000000 3.419811 0.000000\n-0.000000 0.000000 6.756381\nRb H Pd\n1 1 1\ndirect\n0.000000 0.000000 0.658999 Rb\n0.000000 0.000000 0.014551 H\n0.000000 0.000000 0.250818 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"H",
"Pd"
],
"chemical_system": "H-Pd-Rb",
"density": 4.053716683031367,
"density_atomic": 0.037966705446390074,
"volume": 79.01660059064314,
"volume_molar": 15.861636371118403,
"formula_full": "Rb1 H1 Pd1",
"formula_reduced": "RbHPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1964885666666667,
"spacegroup": 99
},
{
"id": "jvasp-19750",
"created_at": "2022-09-04T14:38:31.748169Z",
"updated_at": "2022-09-04T14:38:31.748193Z",
"structure_string": "Dy1 Mg3\n1.0\n4.457706 -0.000000 2.573658\n1.485902 4.202765 2.573658\n-0.000000 -0.000000 5.147315\nDy Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.750001 0.749999 0.750001 Mg\n0.500000 0.499999 0.500001 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"Mg"
],
"chemical_system": "Dy-Mg",
"density": 4.053740589648867,
"density_atomic": 0.04147942390047739,
"volume": 96.43335475433071,
"volume_molar": 14.518380907239868,
"formula_full": "Dy1 Mg3",
"formula_reduced": "DyMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-118655",
"created_at": "2022-09-04T14:38:50.005435Z",
"updated_at": "2022-09-04T14:38:50.005464Z",
"structure_string": "Na1 Al1 Se2\n1.0\n1.887633 1.089825 6.898912\n-1.887633 1.089825 6.898912\n0.000000 -2.179651 6.898912\nNa Al Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500001 0.499998 Al\n0.764601 0.764601 0.764598 Se\n0.235400 0.235400 0.235399 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Al",
"Se"
],
"chemical_system": "Al-Na-Se",
"density": 4.053956769035922,
"density_atomic": 0.04697358163837805,
"volume": 85.15424756821068,
"volume_molar": 12.820271629191309,
"formula_full": "Na1 Al1 Se2",
"formula_reduced": "NaAlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6652396333333332,
"spacegroup": 166
},
{
"id": "jvasp-22568",
"created_at": "2022-09-04T14:36:56.778809Z",
"updated_at": "2022-09-04T14:36:56.778843Z",
"structure_string": "K1 I1 O3\n1.0\n4.442577 0.024576 0.085691\n0.084498 4.441841 0.085691\n0.024940 0.024606 4.443302\nK I O\n1 1 3\ndirect\n0.008854 0.008854 0.008854 K\n0.507908 0.507909 0.507907 I\n0.546674 0.546674 0.094790 O\n0.094797 0.546669 0.546673 O\n0.546669 0.094798 0.546673 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"I",
"O"
],
"chemical_system": "I-K-O",
"density": 4.0541427212703525,
"density_atomic": 0.05704324175973754,
"volume": 87.65280243117455,
"volume_molar": 10.557150284980068,
"formula_full": "K1 I1 O3",
"formula_reduced": "KIO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2476310525,
"spacegroup": 160
},
{
"id": "jvasp-78862",
"created_at": "2022-09-04T14:36:39.665740Z",
"updated_at": "2022-09-04T14:36:39.665772Z",
"structure_string": "Y3 Mg1\n1.0\n3.571786 0.000000 0.000000\n0.000000 5.579744 0.000000\n0.000000 0.000000 5.981023\nY Mg\n3 1\ndirect\n0.000000 0.000000 -0.005459 Y\n0.500001 0.000000 0.490386 Y\n0.500001 0.500000 0.845752 Y\n0.000000 0.500000 0.335986 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 4.0541569923270835,
"density_atomic": 0.03355713030398385,
"volume": 119.19970402013566,
"volume_molar": 17.94593490398987,
"formula_full": "Y3 Mg1",
"formula_reduced": "Y3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 2.102145321428571,
"spacegroup": 25
},
{
"id": "jvasp-64709",
"created_at": "2022-09-04T14:36:16.891130Z",
"updated_at": "2022-09-04T14:36:16.891149Z",
"structure_string": "Ba4 Be1 Br1\n1.0\n-0.000000 5.074924 5.074924\n5.074924 0.000000 5.074924\n5.074924 5.074924 0.000000\nBa Be Br\n4 1 1\ndirect\n0.125054 0.624981 0.624981 Ba\n0.624981 0.624981 0.624981 Ba\n0.624981 0.125054 0.624981 Ba\n0.624981 0.624981 0.125054 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Br"
],
"chemical_system": "Ba-Be-Br",
"density": 4.054186551975953,
"density_atomic": 0.02295263900708999,
"volume": 261.40784936087834,
"volume_molar": 26.237247743668092,
"formula_full": "Ba4 Be1 Br1",
"formula_reduced": "Ba4BeBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2131773474999999,
"spacegroup": 216
},
{
"id": "jvasp-36483",
"created_at": "2022-09-04T14:37:33.659958Z",
"updated_at": "2022-09-04T14:37:33.659977Z",
"structure_string": "Ba3 Sb2\n1.0\n6.451010 -0.000000 -0.000000\n-0.000000 6.451010 -0.000000\n0.000000 -0.000000 6.451010\nBa Sb\n3 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 4.054518727099508,
"density_atomic": 0.01862459591754034,
"volume": 268.46220031496534,
"volume_molar": 32.33434318072075,
"formula_full": "Ba3 Sb2",
"formula_reduced": "Ba3Sb2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.4041660220000002,
"spacegroup": 221
},
{
"id": "jvasp-113677",
"created_at": "2022-09-04T14:38:48.716724Z",
"updated_at": "2022-09-04T14:38:48.716745Z",
"structure_string": "Rb1 Al1 O2\n1.0\n2.944763 0.000000 -0.000000\n0.000000 2.944763 -0.000000\n-0.000000 0.000000 6.822037\nRb Al O\n1 1 2\ndirect\n0.500000 0.500000 0.560297 Rb\n0.000000 0.000000 0.095989 Al\n0.000000 0.000000 0.339778 O\n0.500000 0.500000 0.012499 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Al",
"O"
],
"chemical_system": "Al-O-Rb",
"density": 4.05458380453152,
"density_atomic": 0.06761533831919722,
"volume": 59.15817474900258,
"volume_molar": 8.90647138607928,
"formula_full": "Rb1 Al1 O2",
"formula_reduced": "RbAlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.91138745,
"spacegroup": 99
}
]
}