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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4119",
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"results": [
{
"id": "jvasp-12954",
"created_at": "2022-09-04T14:36:42.940774Z",
"updated_at": "2022-09-04T14:36:42.940809Z",
"structure_string": "Mg4 C6\n1.0\n3.717355 0.000000 0.000000\n0.000000 5.288684 -0.000000\n0.000000 -0.000000 6.429169\nMg C\n4 6\ndirect\n0.500001 0.892852 0.208291 Mg\n0.500001 0.107147 0.791709 Mg\n0.000000 0.392852 0.291709 Mg\n0.000000 0.607147 0.708291 Mg\n0.500001 0.706396 0.882704 C\n0.500001 0.293603 0.117296 C\n0.000000 0.206397 0.617296 C\n0.000000 0.793602 0.382704 C\n0.000000 0.000000 0.500000 C\n0.500001 0.500000 0.000000 C\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mg",
"C"
],
"chemical_system": "C-Mg",
"density": 2.2239705144397335,
"density_atomic": 0.07911585067403835,
"volume": 126.39692191645071,
"volume_molar": 7.611800554115952,
"formula_full": "Mg4 C6",
"formula_reduced": "Mg2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.49848362,
"spacegroup": 58
},
{
"id": "jvasp-8690",
"created_at": "2022-09-04T14:36:38.279215Z",
"updated_at": "2022-09-04T14:36:38.279229Z",
"structure_string": "Mg2 C4\n1.0\n3.937629 -0.000000 0.000000\n0.000000 3.937629 0.000000\n0.000000 0.000000 4.958465\nMg C\n2 4\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.887838 0.887838 0.000000 C\n0.612162 0.387838 0.500000 C\n0.112162 0.112162 0.000000 C\n0.387838 0.612162 0.500000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"C"
],
"chemical_system": "C-Mg",
"density": 2.0875971513778255,
"density_atomic": 0.07804308142206023,
"volume": 76.88061376705194,
"volume_molar": 7.716431297006344,
"formula_full": "Mg2 C4",
"formula_reduced": "MgC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4006063499999994,
"spacegroup": 136
},
{
"id": "jvasp-120316",
"created_at": "2022-09-04T14:38:51.648361Z",
"updated_at": "2022-09-04T14:38:51.648384Z",
"structure_string": "Mg1 Br2\n1.0\n5.216196 -0.000000 -0.000000\n-2.608098 4.517358 -0.000000\n0.000000 -0.000000 4.313431\nMg Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666666 0.000000 Br\n0.666667 0.333333 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 3.007961583953682,
"density_atomic": 0.029516168981280358,
"volume": 101.63920669727327,
"volume_molar": 20.402853648857143,
"formula_full": "Mg1 Br2",
"formula_reduced": "MgBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3449633333333333,
"spacegroup": 191
},
{
"id": "jvasp-120314",
"created_at": "2022-09-04T14:38:51.621541Z",
"updated_at": "2022-09-04T14:38:51.621556Z",
"structure_string": "Mg1 Br2\n1.0\n3.662634 0.000000 0.000000\n0.000000 4.279996 0.000000\n0.000000 0.000000 7.154105\nMg Br\n1 2\ndirect\n0.466649 0.000000 0.000000 Mg\n-0.033324 0.000000 0.752112 Br\n-0.033324 0.000000 0.247889 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 2.7260973234403765,
"density_atomic": 0.02675032476721992,
"volume": 112.14817113832675,
"volume_molar": 22.512402419052435,
"formula_full": "Mg1 Br2",
"formula_reduced": "MgBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1006166666666666,
"spacegroup": 47
},
{
"id": "jvasp-121211",
"created_at": "2022-09-04T14:38:55.263338Z",
"updated_at": "2022-09-04T14:38:55.263361Z",
"structure_string": "Mg2 Br1\n1.0\n3.640560 0.000000 0.000000\n0.000000 3.501974 0.000000\n0.000000 0.000000 7.234626\nMg Br\n2 1\ndirect\n-0.033326 0.000000 0.699010 Mg\n-0.033326 0.000000 0.300990 Mg\n0.466651 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 2.3136749441247106,
"density_atomic": 0.03252550583878609,
"volume": 92.23530649668031,
"volume_molar": 18.515133292158374,
"formula_full": "Mg2 Br1",
"formula_reduced": "Mg2Br",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 47
},
{
"id": "jvasp-121209",
"created_at": "2022-09-04T14:38:53.219129Z",
"updated_at": "2022-09-04T14:38:53.219155Z",
"structure_string": "Mg2 Br1\n1.0\n6.552041 0.000000 -0.226639\n0.000000 3.562807 0.000000\n0.411229 0.000000 3.912919\nMg Br\n2 1\ndirect\n-0.175593 0.000000 0.000184 Mg\n0.143963 0.000000 0.463471 Mg\n0.431630 0.000000 -0.063655 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 2.3278438627638245,
"density_atomic": 0.03272469166093282,
"volume": 91.67389661249094,
"volume_molar": 18.402436980603586,
"formula_full": "Mg2 Br1",
"formula_reduced": "Mg2Br",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 6
},
{
"id": "jvasp-38939",
"created_at": "2022-09-04T14:38:04.050289Z",
"updated_at": "2022-09-04T14:38:04.050305Z",
"structure_string": "Mg3 Br1\n1.0\n-2.162408 2.162408 5.468302\n2.162408 -2.162408 5.468302\n2.162408 2.162408 -5.468302\nMg Br\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.749999 0.250000 0.500000 Mg\n0.250000 0.749999 0.500000 Mg\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 2.481068125199442,
"density_atomic": 0.039108596418675035,
"volume": 102.27930343442165,
"volume_molar": 15.398509052920964,
"formula_full": "Mg3 Br1",
"formula_reduced": "Mg3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-120315",
"created_at": "2022-09-04T14:38:47.634088Z",
"updated_at": "2022-09-04T14:38:47.634115Z",
"structure_string": "Mg2 Br2\n1.0\n4.313952 0.000000 0.000000\n0.000000 4.313952 -0.000000\n0.000000 0.000000 6.125398\nMg Br\n2 2\ndirect\n0.000000 0.000000 0.250086 Mg\n0.500000 0.500000 0.749915 Mg\n0.000000 0.000000 0.749866 Br\n0.500000 0.500000 0.250134 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 3.0359833960166296,
"density_atomic": 0.03508932887208057,
"volume": 113.99477073449157,
"volume_molar": 17.162313881675917,
"formula_full": "Mg2 Br2",
"formula_reduced": "MgBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.139035,
"spacegroup": 225
},
{
"id": "jvasp-120318",
"created_at": "2022-09-04T14:38:47.679610Z",
"updated_at": "2022-09-04T14:38:47.679644Z",
"structure_string": "Mg1 Br1\n1.0\n3.637005 0.868648 0.167850\n-1.054260 -3.552944 -0.450561\n0.572731 -1.512125 -4.921911\nMg Br\n1 1\ndirect\n0.127939 0.980666 0.936962 Mg\n0.916999 0.562270 0.563130 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 3.035791641817086,
"density_atomic": 0.03508711261286808,
"volume": 57.000985577436964,
"volume_molar": 17.16339793030276,
"formula_full": "Mg1 Br1",
"formula_reduced": "MgBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.12956,
"spacegroup": 160
},
{
"id": "jvasp-2068",
"created_at": "2022-09-04T14:36:47.693902Z",
"updated_at": "2022-09-04T14:36:47.693922Z",
"structure_string": "Mg1 Br2\n1.0\n1.922924 -3.330603 0.000000\n1.922924 3.330603 0.000000\n0.000000 0.000000 6.236984\nMg Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666666 0.240904 Br\n0.666666 0.333332 0.759095 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 3.82687201186562,
"density_atomic": 0.03755187618569576,
"volume": 79.88948368824134,
"volume_molar": 16.036857200477108,
"formula_full": "Mg1 Br2",
"formula_reduced": "MgBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-123908",
"created_at": "2022-09-04T14:38:55.058097Z",
"updated_at": "2022-09-04T14:38:55.058124Z",
"structure_string": "Mg1 Br1\n1.0\n1.845609 -3.196693 0.000000\n1.845609 3.196693 0.000000\n0.000000 0.000000 4.186157\nMg Br\n1 1\ndirect\n0.333334 0.666667 0.250000 Mg\n0.666667 0.333334 0.750000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 3.503226266709874,
"density_atomic": 0.040489634675597706,
"volume": 49.39535799776826,
"volume_molar": 14.873289937657612,
"formula_full": "Mg1 Br1",
"formula_reduced": "MgBr",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-100495",
"created_at": "2022-09-04T14:36:37.356712Z",
"updated_at": "2022-09-04T14:36:37.356727Z",
"structure_string": "Mg2 Bi6\n1.0\n7.028974 -0.000000 -0.000000\n-3.514487 6.087270 0.000000\n-0.000000 0.000000 5.597793\nMg Bi\n2 6\ndirect\n0.666666 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.174179 0.348357 0.250000 Bi\n0.174178 0.825821 0.250000 Bi\n0.651643 0.825821 0.250000 Bi\n0.348356 0.174179 0.750000 Bi\n0.825821 0.174179 0.750000 Bi\n0.825820 0.651643 0.750000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 9.030108291294011,
"density_atomic": 0.03340093698942636,
"volume": 239.5142388530159,
"volume_molar": 18.029855754964032,
"formula_full": "Mg2 Bi6",
"formula_reduced": "MgBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6819341428571429,
"spacegroup": 194
}
]
}