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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3791",
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"results": [
{
"id": "jvasp-69001",
"created_at": "2022-09-04T14:35:40.735181Z",
"updated_at": "2022-09-04T14:35:40.735212Z",
"structure_string": "Ba1 Na1 Li2\n1.0\n6.034551 0.000000 0.000000\n0.000000 6.034551 -0.000000\n-0.000000 0.000000 3.954154\nBa Na Li\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n",
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"density": 2.0088646489196083,
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"volume": 143.9937040549992,
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"formula_full": "Ba1 Na1 Li2",
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{
"id": "jvasp-64825",
"created_at": "2022-09-04T14:36:07.132617Z",
"updated_at": "2022-09-04T14:36:07.132641Z",
"structure_string": "Ba1 Na1 Li1\n1.0\n0.000000 4.284573 4.284573\n4.284573 -0.000000 4.284573\n4.284573 4.284573 0.000000\nBa Na Li\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n",
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"elements": [
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"volume": 157.30866147907287,
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"formula_full": "Ba1 Na1 Li1",
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{
"id": "jvasp-88943",
"created_at": "2022-09-04T14:36:10.697191Z",
"updated_at": "2022-09-04T14:36:10.697212Z",
"structure_string": "Ba6 Li2 N2\n1.0\n8.171442 0.000000 0.000000\n-4.085721 7.076676 0.000000\n-0.000000 -0.000000 6.876394\nBa Li N\n6 2 2\ndirect\n0.149637 0.299275 0.750000 Ba\n0.149638 0.850363 0.750000 Ba\n0.850363 0.700726 0.250000 Ba\n0.700725 0.850363 0.750000 Ba\n0.299275 0.149637 0.250000 Ba\n0.850363 0.149637 0.250000 Ba\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Li",
"N"
],
"chemical_system": "Ba-Li-N",
"density": 3.6158191707446483,
"density_atomic": 0.025148450560630094,
"volume": 397.63881181829163,
"volume_molar": 23.94636896408904,
"formula_full": "Ba6 Li2 N2",
"formula_reduced": "Ba3LiN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.025276232,
"spacegroup": 194
},
{
"id": "jvasp-64010",
"created_at": "2022-09-04T14:38:11.877165Z",
"updated_at": "2022-09-04T14:38:11.877200Z",
"structure_string": "Ba4 Li1 Mo1\n1.0\n-0.000000 4.938756 4.938756\n4.938756 0.000000 4.938756\n4.938756 4.938756 -0.000000\nBa Li Mo\n4 1 1\ndirect\n0.121561 0.626147 0.626147 Ba\n0.626147 0.626147 0.626147 Ba\n0.626147 0.121561 0.626147 Ba\n0.626147 0.626147 0.121561 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Mo"
],
"chemical_system": "Ba-Li-Mo",
"density": 4.495105204144752,
"density_atomic": 0.024903967665559915,
"volume": 240.92546539471672,
"volume_molar": 24.181451087924884,
"formula_full": "Ba4 Li1 Mo1",
"formula_reduced": "Ba4LiMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2550332966666664,
"spacegroup": 216
},
{
"id": "jvasp-56602",
"created_at": "2022-09-04T14:38:35.254279Z",
"updated_at": "2022-09-04T14:38:35.254297Z",
"structure_string": "Ba1 Li2 Mg2 Si2\n1.0\n4.435566 0.013289 7.977883\n2.078939 3.918220 7.977883\n0.022020 0.013289 9.128001\nBa Li Mg Si\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.429569 0.429570 0.429568 Li\n0.570431 0.570431 0.570430 Li\n0.135777 0.135777 0.135777 Mg\n0.864224 0.864224 0.864221 Mg\n0.242028 0.242028 0.242028 Si\n0.757972 0.757972 0.757970 Si\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Mg",
"Si"
],
"chemical_system": "Ba-Li-Mg-Si",
"density": 2.69974727707333,
"density_atomic": 0.044457911196556794,
"volume": 157.45229165292275,
"volume_molar": 13.545712333121056,
"formula_full": "Ba1 Li2 Mg2 Si2",
"formula_reduced": "BaLi2(MgSi)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.8781101814285712,
"spacegroup": 166
},
{
"id": "jvasp-35122",
"created_at": "2022-09-04T14:37:29.435282Z",
"updated_at": "2022-09-04T14:37:29.435303Z",
"structure_string": "Ba1 Li2 Mg1 P2 O8\n1.0\n5.061324 0.000973 -0.001163\n-2.529926 -4.383609 0.000050\n-0.001561 0.000760 -7.106752\nBa Li Mg P O\n1 2 1 2 8\ndirect\n0.000000 -0.000000 0.500000 Ba\n0.333327 0.666662 0.760822 Li\n0.666672 0.333339 0.239177 Li\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666666 0.248892 P\n0.666666 0.333334 0.751108 P\n0.333330 0.666660 0.466991 O\n0.666669 0.333341 0.533008 O\n0.640050 0.940787 0.179105 O\n0.059228 0.699267 0.179107 O\n0.300733 0.359955 0.179102 O\n0.359948 0.059213 0.820895 O\n0.940771 0.300734 0.820892 O\n0.699266 0.640046 0.820897 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
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"Li",
"Mg",
"P",
"O"
],
"chemical_system": "Ba-Li-Mg-O-P",
"density": 3.849161243310925,
"density_atomic": 0.08879920663994079,
"volume": 157.65906622078955,
"volume_molar": 6.781750634798257,
"formula_full": "Ba1 Li2 Mg1 P2 O8",
"formula_reduced": "BaLi2Mg(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.0534752871428568,
"spacegroup": 147
},
{
"id": "jvasp-91019",
"created_at": "2022-09-04T14:36:15.666543Z",
"updated_at": "2022-09-04T14:36:15.666554Z",
"structure_string": "Ba2 Li1 Mg1\n1.0\n-13.169103 0.000000 -7.603185\n-12.624678 0.000774 6.660213\n-8.598291 11.389113 -0.313692\nBa Li Mg\n2 1 1\ndirect\n0.749954 0.000000 -0.000000 Ba\n0.250045 0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Mg"
],
"chemical_system": "Ba-Li-Mg",
"density": 0.24279902432735836,
"density_atomic": 0.0019119580273230616,
"volume": 2092.096135394987,
"volume_molar": 314.97243527001575,
"formula_full": "Ba2 Li1 Mg1",
"formula_reduced": "Ba2LiMg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.322525,
"spacegroup": 71
},
{
"id": "jvasp-66613",
"created_at": "2022-09-04T14:35:58.209121Z",
"updated_at": "2022-09-04T14:35:58.209148Z",
"structure_string": "Ba1 Li1 Mg1\n1.0\n-0.000000 4.101838 4.101838\n4.101838 0.000000 4.101838\n4.101838 4.101838 -0.000000\nBa Li Mg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Li",
"Mg"
],
"chemical_system": "Ba-Li-Mg",
"density": 2.0280170653950536,
"density_atomic": 0.021734804925542684,
"volume": 138.02746379722083,
"volume_molar": 27.707360524422267,
"formula_full": "Ba1 Li1 Mg1",
"formula_reduced": "BaLiMg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1045915083333333,
"spacegroup": 216
},
{
"id": "jvasp-81470",
"created_at": "2022-09-04T14:37:18.602835Z",
"updated_at": "2022-09-04T14:37:18.602853Z",
"structure_string": "Ba2 Li1 Mg1\n1.0\n-17.025810 -0.000000 -9.829856\n-9.909393 -0.479336 -2.496139\n-8.752440 2.793022 -4.500041\nBa Li Mg\n2 1 1\ndirect\n0.840792 -0.000001 -0.000000 Ba\n0.159209 -0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 -0.000000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Mg"
],
"chemical_system": "Ba-Li-Mg",
"density": 3.217435608402705,
"density_atomic": 0.025336188462547513,
"volume": 157.8769437207528,
"volume_molar": 23.768929446124286,
"formula_full": "Ba2 Li1 Mg1",
"formula_reduced": "Ba2LiMg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-99751",
"created_at": "2022-09-04T14:36:08.513428Z",
"updated_at": "2022-09-04T14:36:08.513455Z",
"structure_string": "Ba3 Li1\n1.0\n5.259262 0.022620 -5.390570\n-0.855278 5.189302 -5.390570\n-0.019113 -0.022620 7.531116\nBa Li\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"elements": [
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"Li"
],
"chemical_system": "Ba-Li",
"density": 3.4032047418374125,
"density_atomic": 0.019568872484640912,
"volume": 204.40625810912172,
"volume_molar": 30.774081463950562,
"formula_full": "Ba3 Li1",
"formula_reduced": "Ba3Li",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0203844775,
"spacegroup": 139
},
{
"id": "jvasp-115187",
"created_at": "2022-09-04T14:38:45.171922Z",
"updated_at": "2022-09-04T14:38:45.171949Z",
"structure_string": "Ba1 Li1\n1.0\n3.612511 0.000000 -0.000000\n0.000000 3.612511 0.000000\n-0.000000 0.000000 7.091582\nBa Li\n1 1\ndirect\n0.000000 0.000000 0.249961 Ba\n0.000000 0.000000 0.750038 Li\n",
"nsites": 2,
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"elements": [
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"density": 2.5885563484164265,
"density_atomic": 0.021610683867167257,
"volume": 92.54681676402504,
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"formula_full": "Ba1 Li1",
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"formula_anonymous": "AB",
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"spacegroup": 123
},
{
"id": "jvasp-98010",
"created_at": "2022-09-04T14:36:10.325165Z",
"updated_at": "2022-09-04T14:36:10.325183Z",
"structure_string": "Ba6 Li24\n1.0\n10.708719 0.000000 0.000000\n-5.354360 9.274023 0.000000\n0.000000 0.000000 8.756359\nBa Li\n6 24\ndirect\n0.471431 0.942863 0.250000 Ba\n0.942863 0.471431 0.750000 Ba\n0.057137 0.528568 0.250000 Ba\n0.471431 0.528568 0.250000 Ba\n0.528568 0.057137 0.750000 Ba\n0.528568 0.471431 0.750000 Ba\n0.836226 0.672451 0.433081 Li\n0.163774 0.836226 0.566919 Li\n0.672451 0.836226 0.566919 Li\n0.327548 0.163774 0.066919 Li\n0.836226 0.163774 0.066919 Li\n0.163774 0.327548 0.566919 Li\n0.900239 0.800477 0.750000 Li\n0.099761 0.900238 0.250000 Li\n0.800477 0.900238 0.250000 Li\n0.163774 0.836226 0.933081 Li\n0.099761 0.199523 0.250000 Li\n0.333333 0.666666 0.914635 Li\n0.666667 0.333333 0.414635 Li\n0.666667 0.333333 0.085365 Li\n0.333333 0.666666 0.585365 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.836226 0.163774 0.433081 Li\n0.836226 0.672451 0.066919 Li\n0.327548 0.163774 0.433081 Li\n0.672451 0.836226 0.933081 Li\n0.163774 0.327548 0.933081 Li\n0.900239 0.099761 0.750000 Li\n0.199523 0.099761 0.750000 Li\n",
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"volume": 869.619460953402,
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"formula_full": "Ba6 Li24",
"formula_reduced": "BaLi4",
"formula_anonymous": "AB4",
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}