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=formula_full&page=385",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=383",
"results": [
{
"id": "jvasp-41340",
"created_at": "2022-09-04T14:37:39.224007Z",
"updated_at": "2022-09-04T14:37:39.224034Z",
"structure_string": "Ba2 Yb2 Cd2 Sb4\n1.0\n4.742325 -0.000000 -0.000000\n0.000000 -0.000000 7.395827\n2.371162 -9.379123 -0.000000\nYb Ba Cd Sb\n2 2 2 4\ndirect\n0.480598 0.222214 0.038807 Yb\n0.519403 0.722215 0.961193 Yb\n0.302420 0.526541 0.395162 Ba\n0.697580 0.026539 0.604838 Ba\n0.906424 0.892470 0.187150 Cd\n0.093576 0.392469 0.812849 Cd\n0.940694 0.500823 0.118615 Sb\n0.333841 0.013814 0.332319 Sb\n0.666160 0.513815 0.667679 Sb\n0.059308 0.000822 0.881384 Sb\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb-Yb",
"density": 6.726781390486635,
"density_atomic": 0.030399028969964118,
"volume": 328.9578759203309,
"volume_molar": 19.81030632902847,
"formula_full": "Ba2 Yb2 Cd2 Sb4",
"formula_reduced": "BaYbCdSb2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-58336",
"created_at": "2022-09-04T14:37:39.597408Z",
"updated_at": "2022-09-04T14:37:39.597427Z",
"structure_string": "Ba2 Yb2 Si8 N14\n1.0\n3.061030 -5.301860 0.000000\n3.061030 5.301860 -0.000000\n0.000000 0.000000 9.917592\nYb Ba Si N\n2 2 8 14\ndirect\n0.666667 0.333333 0.765058 Yb\n0.333333 0.666667 0.265058 Yb\n0.333333 0.666667 0.636646 Ba\n0.666667 0.333333 0.136646 Ba\n0.000000 0.000000 0.686847 Si\n0.000000 0.000000 0.186847 Si\n0.174240 0.825759 0.952796 Si\n0.825759 0.651519 0.452796 Si\n0.651519 0.825759 0.952796 Si\n0.174241 0.348481 0.952796 Si\n0.825759 0.174240 0.452796 Si\n0.348481 0.174241 0.452796 Si\n0.487193 0.512807 0.903674 N\n0.025612 0.512807 0.903674 N\n0.512807 0.487193 0.403674 N\n0.512807 0.025612 0.403674 N\n0.487193 0.974388 0.903674 N\n0.974388 0.487193 0.403674 N\n0.150383 0.849616 0.124741 N\n0.150384 0.300768 0.124741 N\n0.699232 0.849616 0.124741 N\n0.300768 0.150384 0.624741 N\n0.849616 0.699232 0.624741 N\n0.000000 0.000000 0.875219 N\n0.849616 0.150383 0.624741 N\n0.000000 0.000000 0.375219 N\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Si",
"N"
],
"chemical_system": "Ba-N-Si-Yb",
"density": 5.372559291270694,
"density_atomic": 0.08076836152227289,
"volume": 321.9082263149559,
"volume_molar": 7.456064041040771,
"formula_full": "Ba2 Yb2 Si8 N14",
"formula_reduced": "BaYbSi4N7",
"formula_anonymous": "ABC4D7",
"energy_above_hull": 4.403111063076923,
"spacegroup": 186
},
{
"id": "jvasp-103588",
"created_at": "2022-09-04T14:36:45.299989Z",
"updated_at": "2022-09-04T14:36:45.300009Z",
"structure_string": "Ba2 Yb6\n1.0\n7.871505 -0.000000 0.000000\n-3.935752 6.816923 0.000000\n-0.000000 -0.000000 6.468826\nYb Ba\n6 2\ndirect\n0.164133 0.328265 0.250000 Yb\n0.671734 0.835867 0.250000 Yb\n0.164133 0.835867 0.250000 Yb\n0.835867 0.671734 0.750001 Yb\n0.328265 0.164133 0.750001 Yb\n0.835867 0.164133 0.750001 Yb\n0.333333 0.666666 0.750001 Ba\n0.666666 0.333333 0.250000 Ba\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Ba"
],
"chemical_system": "Ba-Yb",
"density": 6.280686661913316,
"density_atomic": 0.023047209697396685,
"volume": 347.11360312322955,
"volume_molar": 26.129587221485803,
"formula_full": "Ba2 Yb6",
"formula_reduced": "BaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-35802",
"created_at": "2022-09-04T14:37:29.742346Z",
"updated_at": "2022-09-04T14:37:29.742369Z",
"structure_string": "Ba2 Zn1\n1.0\n4.137164 0.000000 -0.000000\n0.000000 4.137164 0.000000\n-2.068582 -2.068582 7.389988\nBa Zn\n2 1\ndirect\n0.628722 0.628722 0.257444 Ba\n0.371278 0.371278 0.742556 Ba\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Zn"
],
"chemical_system": "Ba-Zn",
"density": 4.464360656736973,
"density_atomic": 0.023717671391095457,
"volume": 126.4879654722899,
"volume_molar": 25.39094441733832,
"formula_full": "Ba2 Zn1",
"formula_reduced": "Ba2Zn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-20296",
"created_at": "2022-09-04T14:38:34.138088Z",
"updated_at": "2022-09-04T14:38:34.138105Z",
"structure_string": "Ba2 Zn10\n1.0\n5.401100 0.000000 0.000000\n-0.000000 6.638621 -1.688714\n-0.000000 -0.011510 6.850029\nBa Zn\n2 10\ndirect\n0.750000 0.332739 0.332739 Ba\n0.250000 0.667261 0.667262 Ba\n0.500000 0.205222 0.794778 Zn\n0.000000 0.794778 0.205223 Zn\n0.250000 0.079665 0.079665 Zn\n0.750000 0.920335 0.920336 Zn\n0.250000 0.464935 0.087337 Zn\n0.750000 0.535065 0.912664 Zn\n0.250000 0.087337 0.464935 Zn\n0.750000 0.912663 0.535065 Zn\n0.000000 0.205222 0.794778 Zn\n0.500000 0.794778 0.205223 Zn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Zn"
],
"chemical_system": "Ba-Zn",
"density": 6.2817157909931245,
"density_atomic": 0.048878110722543604,
"volume": 245.50867090829166,
"volume_molar": 12.320731450085413,
"formula_full": "Ba2 Zn10",
"formula_reduced": "BaZn5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-81740",
"created_at": "2022-09-04T14:37:06.452179Z",
"updated_at": "2022-09-04T14:37:06.452194Z",
"structure_string": "Ba2 Zn1 Ag1\n1.0\n-11.318086 0.000000 -6.534500\n-7.636500 0.402731 0.157806\n-6.508045 3.594485 -1.796737\nBa Zn Ag\n2 1 1\ndirect\n0.745435 0.000000 -0.000000 Ba\n0.254565 0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ba-Zn",
"density": 4.205859449029832,
"density_atomic": 0.02261800707571753,
"volume": 176.85024089917988,
"volume_molar": 26.625426103369257,
"formula_full": "Ba2 Zn1 Ag1",
"formula_reduced": "Ba2ZnAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-77196",
"created_at": "2022-09-04T14:38:01.625361Z",
"updated_at": "2022-09-04T14:38:01.625384Z",
"structure_string": "Ba2 Zn1 Ag1\n1.0\n-11.745480 -0.000000 -6.781255\n-11.612828 0.084802 6.551497\n-7.826078 10.795348 -0.007346\nBa Zn Ag\n2 1 1\ndirect\n0.741768 0.000000 -0.000000 Ba\n0.258231 0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ba-Zn",
"density": 0.443708332394137,
"density_atomic": 0.0023861468323579803,
"volume": 1676.3427739470737,
"volume_molar": 252.37930366795348,
"formula_full": "Ba2 Zn1 Ag1",
"formula_reduced": "Ba2ZnAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.190855,
"spacegroup": 71
},
{
"id": "jvasp-69051",
"created_at": "2022-09-04T14:36:00.204227Z",
"updated_at": "2022-09-04T14:36:00.204249Z",
"structure_string": "Ba2 Zn1 Bi1\n1.0\n-0.000000 4.213849 4.213849\n4.213849 0.000000 4.213849\n4.213849 4.213849 -0.000000\nBa Zn Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Bi"
],
"chemical_system": "Ba-Bi-Zn",
"density": 6.092406464347839,
"density_atomic": 0.026729638719354906,
"volume": 149.64661670131755,
"volume_molar": 22.529824750827533,
"formula_full": "Ba2 Zn1 Bi1",
"formula_reduced": "Ba2ZnBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37932",
"created_at": "2022-09-04T14:37:57.121875Z",
"updated_at": "2022-09-04T14:37:57.121896Z",
"structure_string": "Ba2 Zn1 Cd1\n1.0\n-0.000000 4.155537 4.155537\n4.155537 0.000000 4.155537\n4.155537 4.155537 -0.000000\nBa Zn Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.500001 Ba\n0.750001 0.750001 0.750001 Zn\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Cd"
],
"chemical_system": "Ba-Cd-Zn",
"density": 5.235175800062983,
"density_atomic": 0.027870742258976157,
"volume": 143.51967962789885,
"volume_molar": 21.607392813732783,
"formula_full": "Ba2 Zn1 Cd1",
"formula_reduced": "Ba2ZnCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-8137",
"created_at": "2022-09-04T14:36:33.706669Z",
"updated_at": "2022-09-04T14:36:33.706684Z",
"structure_string": "Ba2 Zn1 F6\n1.0\n4.048187 0.000000 -0.989835\n-0.242028 4.040945 -0.989835\n-0.063961 -0.067906 8.511388\nBa Zn F\n2 1 6\ndirect\n0.849871 0.849869 0.699743 Ba\n0.150129 0.150128 0.300258 Ba\n0.500000 0.499999 0.000001 Zn\n0.622424 0.622423 0.244849 F\n0.377576 0.377575 0.755152 F\n-0.000000 0.499999 0.000000 F\n0.750001 0.249999 0.500001 F\n0.250000 0.749999 0.500001 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"F"
],
"chemical_system": "Ba-F-Zn",
"density": 5.436419416667815,
"density_atomic": 0.06489323376071184,
"volume": 138.689343686997,
"volume_molar": 9.28007499550126,
"formula_full": "Ba2 Zn1 F6",
"formula_reduced": "Ba2ZnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-101389",
"created_at": "2022-09-04T14:36:43.834025Z",
"updated_at": "2022-09-04T14:36:43.834043Z",
"structure_string": "Ba2 Zn1 Hg1\n1.0\n5.051442 0.000000 2.916451\n1.683814 4.762546 2.916451\n-0.000000 0.000000 5.832903\nBa Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750001 0.749999 Ba\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Hg"
],
"chemical_system": "Ba-Hg-Zn",
"density": 6.3977668029146635,
"density_atomic": 0.02850497620479074,
"volume": 140.3263756918251,
"volume_molar": 21.126629668920327,
"formula_full": "Ba2 Zn1 Hg1",
"formula_reduced": "Ba2ZnHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104559",
"created_at": "2022-09-04T14:36:52.325900Z",
"updated_at": "2022-09-04T14:36:52.325925Z",
"structure_string": "Ba2 Zn1 In1\n1.0\n5.116918 -0.000000 2.954254\n1.705639 4.824276 2.954254\n-0.000000 -0.000000 5.908507\nBa Zn In\n2 1 1\ndirect\n0.750000 0.750001 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.499999 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"In"
],
"chemical_system": "Ba-In-Zn",
"density": 5.17879281400149,
"density_atomic": 0.02742468408535083,
"volume": 145.85400464600576,
"volume_molar": 21.958833659698517,
"formula_full": "Ba2 Zn1 In1",
"formula_reduced": "Ba2ZnIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}