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=id&page=4429",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4427",
"results": [
{
"id": "jvasp-94344",
"created_at": "2022-09-04T14:36:02.652643Z",
"updated_at": "2022-09-04T14:36:02.652675Z",
"structure_string": "Mo2 O4\n1.0\n-1.414961 -2.450822 -0.000000\n-1.414961 2.450822 0.000000\n0.000000 -0.000000 -9.985254\nMo O\n2 4\ndirect\n0.666657 0.333342 0.750000 Mo\n0.333342 0.666657 0.250000 Mo\n0.666672 0.333327 0.127481 O\n0.333327 0.666672 0.872519 O\n0.333327 0.666672 0.627481 O\n0.666672 0.333327 0.372519 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 6.1353029716780645,
"density_atomic": 0.0866374972567976,
"volume": 69.2540780837161,
"volume_molar": 6.950963440402822,
"formula_full": "Mo2 O4",
"formula_reduced": "MoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.512717633333333,
"spacegroup": 194
},
{
"id": "jvasp-94345",
"created_at": "2022-09-04T14:36:05.363470Z",
"updated_at": "2022-09-04T14:36:05.363488Z",
"structure_string": "Li2 O4\n1.0\n0.241632 0.000000 -4.121026\n-2.302872 -2.931376 2.009962\n-2.302872 2.931376 2.009962\nLi O\n2 4\ndirect\n0.500001 0.749356 0.250643 Li\n0.500001 0.250643 0.749356 Li\n-0.000000 0.787256 0.212743 O\n-0.000000 0.212743 0.787256 O\n0.422748 0.213792 0.213792 O\n0.577253 0.786208 0.786208 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.449686530662011,
"density_atomic": 0.1136551069390761,
"volume": 52.79129254804407,
"volume_molar": 5.298609910444341,
"formula_full": "Li2 O4",
"formula_reduced": "LiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4582156666666668,
"spacegroup": 12
},
{
"id": "jvasp-94346",
"created_at": "2022-09-04T14:36:07.851661Z",
"updated_at": "2022-09-04T14:36:07.851687Z",
"structure_string": "Li2 Mg4\n1.0\n5.456598 0.000000 0.000000\n-2.728300 4.725552 0.000000\n0.000000 0.000000 5.019573\nLi Mg\n2 4\ndirect\n0.666667 0.333333 0.500000 Li\n0.333333 0.666667 0.500000 Li\n0.661355 -0.000000 0.000000 Mg\n0.338645 0.338645 0.000000 Mg\n-0.000000 0.661354 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4253768264363293,
"density_atomic": 0.04635642862131042,
"volume": 129.4318863304701,
"volume_molar": 12.990950638573514,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2740104761904762,
"spacegroup": 189
},
{
"id": "jvasp-94347",
"created_at": "2022-09-04T14:36:10.049785Z",
"updated_at": "2022-09-04T14:36:10.049813Z",
"structure_string": "La2 Mg4\n1.0\n6.066376 -0.000000 -0.000000\n-3.033188 5.253635 0.000000\n0.000000 -0.000000 5.339463\nLa Mg\n2 4\ndirect\n0.666667 0.333333 0.500000 La\n0.333333 0.666668 0.500000 La\n0.000000 0.700968 0.000000 Mg\n0.700968 0.000000 0.000000 Mg\n0.299033 0.299033 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Mg"
],
"chemical_system": "La-Mg",
"density": 3.659564391206906,
"density_atomic": 0.035258549961367514,
"volume": 170.17149050582478,
"volume_molar": 17.079944486084674,
"formula_full": "La2 Mg4",
"formula_reduced": "LaMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5041502380952383,
"spacegroup": 189
},
{
"id": "jvasp-94348",
"created_at": "2022-09-04T14:36:12.671180Z",
"updated_at": "2022-09-04T14:36:12.671204Z",
"structure_string": "Mg5 Sn1\n1.0\n5.529216 -0.000000 -0.000000\n-2.764607 4.788441 0.000000\n-0.000000 -0.000000 5.254632\nMg Sn\n5 1\ndirect\n-0.000000 0.335251 0.000000 Mg\n0.664749 0.664749 0.000000 Mg\n0.335251 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.000000 0.000000 0.500000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 2.8673808122657185,
"density_atomic": 0.04312719845972818,
"volume": 139.12334244485533,
"volume_molar": 13.963672520076688,
"formula_full": "Mg5 Sn1",
"formula_reduced": "Mg5Sn",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0554286523809524,
"spacegroup": 189
},
{
"id": "jvasp-94349",
"created_at": "2022-09-04T14:36:16.740913Z",
"updated_at": "2022-09-04T14:36:16.740934Z",
"structure_string": "Mg4 Sn2\n1.0\n3.363762 0.000000 0.000000\n-1.681881 2.913103 -0.000000\n0.000000 0.000000 14.767197\nMg Sn\n4 2\ndirect\n0.333333 0.666666 0.916835 Mg\n0.333333 0.666666 0.583166 Mg\n0.666667 0.333333 0.416835 Mg\n0.666667 0.333333 0.083166 Mg\n0.666667 0.333333 0.750000 Sn\n0.333333 0.666666 0.250000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.840146385718658,
"density_atomic": 0.04146408453585017,
"volume": 144.70354445694693,
"volume_molar": 14.523751886510869,
"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2260165952380953,
"spacegroup": 194
},
{
"id": "jvasp-9435",
"created_at": "2022-09-04T14:37:19.532642Z",
"updated_at": "2022-09-04T14:37:19.532658Z",
"structure_string": "Al2 Tl2 F8\n1.0\n4.788524 -0.000000 -1.787495\n-0.657873 4.772948 -1.762377\n-0.000615 0.023644 7.306094\nAl Tl F\n2 2 8\ndirect\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.737922 0.250000 0.499999 Tl\n0.262077 0.750000 0.499999 Tl\n0.696014 0.644420 0.276593 F\n0.919420 0.855579 0.723405 F\n0.303985 0.355579 0.723405 F\n0.080578 0.144420 0.276593 F\n0.225367 0.725620 0.038556 F\n0.686811 0.774379 0.961442 F\n0.774631 0.274379 0.961442 F\n0.313188 0.225620 0.038556 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"Tl",
"F"
],
"chemical_system": "Al-F-Tl",
"density": 6.1048273268732896,
"density_atomic": 0.0717679230680111,
"volume": 167.2056189870252,
"volume_molar": 8.391131445023285,
"formula_full": "Al2 Tl2 F8",
"formula_reduced": "AlTlF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-94350",
"created_at": "2022-09-04T14:36:19.441192Z",
"updated_at": "2022-09-04T14:36:19.441217Z",
"structure_string": "Mg4 Sn2\n1.0\n3.371631 0.000000 -0.000000\n-1.685815 2.919918 0.000000\n0.000000 0.000000 14.801810\nMg Sn\n4 2\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.832007 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.167993 Mg\n0.666667 0.333333 0.664681 Sn\n0.666667 0.333333 0.335319 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.8133040111543095,
"density_atomic": 0.041174253269985334,
"volume": 145.7221327283621,
"volume_molar": 14.62598658562666,
"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2277865952380952,
"spacegroup": 187
},
{
"id": "jvasp-94351",
"created_at": "2022-09-04T14:35:40.739447Z",
"updated_at": "2022-09-04T14:35:40.739475Z",
"structure_string": "Mg3 Sn3\n1.0\n3.382623 -0.000000 0.000000\n-1.691312 2.929438 0.000000\n-0.000000 -0.000000 15.214237\nMg Sn\n3 3\ndirect\n0.000000 0.000000 0.163755 Mg\n0.333333 0.666667 0.325141 Mg\n0.000000 0.000000 0.841310 Mg\n0.333333 0.666667 0.001897 Sn\n0.000000 0.000000 0.488930 Sn\n0.333333 0.666667 0.678967 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.725675071865612,
"density_atomic": 0.039798175685952585,
"volume": 150.76067926695941,
"volume_molar": 15.131700526980719,
"formula_full": "Mg3 Sn3",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.3097228714285714,
"spacegroup": 156
},
{
"id": "jvasp-94352",
"created_at": "2022-09-04T14:35:43.652952Z",
"updated_at": "2022-09-04T14:35:43.652979Z",
"structure_string": "Hf4 Mg2\n1.0\n5.589255 0.000000 0.000000\n-0.000000 5.589255 0.000000\n0.000000 0.000000 5.025918\nHf Mg\n4 2\ndirect\n0.331738 0.331738 0.000000 Hf\n0.668261 0.668261 0.000000 Hf\n0.831738 0.168261 0.500000 Hf\n0.168261 0.831738 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg",
"density": 8.06502219124616,
"density_atomic": 0.03821448435028311,
"volume": 157.00852967169632,
"volume_molar": 15.758791103393198,
"formula_full": "Hf4 Mg2",
"formula_reduced": "Hf2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4560894761904764,
"spacegroup": 136
},
{
"id": "jvasp-94353",
"created_at": "2022-09-04T14:35:46.979923Z",
"updated_at": "2022-09-04T14:35:46.979952Z",
"structure_string": "Mg2 Sn4\n1.0\n5.895810 0.000000 -0.000000\n-2.947905 5.105921 0.000000\n0.000000 0.000000 5.156084\nMg Sn\n2 4\ndirect\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.648519 -0.000000 0.000000 Sn\n0.351481 0.351481 -0.000000 Sn\n0.000000 0.648519 -0.000000 Sn\n-0.000000 -0.000000 0.500000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 5.59998349745528,
"density_atomic": 0.038655713692242306,
"volume": 155.21638140661523,
"volume_molar": 15.578914951474728,
"formula_full": "Mg2 Sn4",
"formula_reduced": "MgSn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3017758142857143,
"spacegroup": 189
},
{
"id": "jvasp-94354",
"created_at": "2022-09-04T14:35:49.376923Z",
"updated_at": "2022-09-04T14:35:49.376938Z",
"structure_string": "Mg5 Sn1\n1.0\n3.278038 -0.000000 0.000000\n-1.639020 2.838866 -0.000000\n-0.000000 -0.000000 15.267986\nMg Sn\n5 1\ndirect\n0.000000 0.000000 0.167316 Mg\n0.666668 0.333333 0.333097 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.666903 Mg\n0.000000 0.000000 0.832684 Mg\n0.666668 0.333333 0.000000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 2.8076615049469216,
"density_atomic": 0.04222898277536634,
"volume": 142.0825131383466,
"volume_molar": 14.260681560894543,
"formula_full": "Mg5 Sn1",
"formula_reduced": "Mg5Sn",
"formula_anonymous": "AB5",
"energy_above_hull": 0.062660319047619,
"spacegroup": 187
}
]
}