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_anonymous&page=878",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=876",
"results": [
{
"id": "jvasp-15879",
"created_at": "2022-09-04T14:37:55.718949Z",
"updated_at": "2022-09-04T14:37:55.718983Z",
"structure_string": "Ca4 As2\n1.0\n4.342184 0.000000 -1.238389\n-0.353188 4.327796 -1.238389\n0.082691 0.089715 8.521668\nCa As\n4 2\ndirect\n0.500000 0.000000 -0.000000 Ca\n-0.000000 0.500001 0.000000 Ca\n0.321056 0.321056 0.642113 Ca\n0.678943 0.678944 0.357887 Ca\n0.134619 0.134619 0.269240 As\n0.865379 0.865380 0.730760 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"As"
],
"chemical_system": "As-Ca",
"density": 3.1968316390014384,
"density_atomic": 0.037242845109947215,
"volume": 161.10477011858194,
"volume_molar": 16.169926712692373,
"formula_full": "Ca4 As2",
"formula_reduced": "Ca2As",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0759675300000002,
"spacegroup": 139
},
{
"id": "jvasp-20405",
"created_at": "2022-09-04T14:37:37.587347Z",
"updated_at": "2022-09-04T14:37:37.587375Z",
"structure_string": "Mg12 Ni6\n1.0\n2.594372 -4.493584 -0.000000\n2.594372 4.493584 0.000000\n-0.000000 -0.000000 13.136000\nMg Ni\n12 6\ndirect\n0.500000 0.500000 0.717195 Mg\n0.835835 0.164164 0.833333 Mg\n0.164164 0.328330 0.500000 Mg\n0.671669 0.835835 0.166667 Mg\n0.835835 0.671669 0.500000 Mg\n0.164164 0.835835 0.833333 Mg\n0.328330 0.164164 0.166667 Mg\n0.500000 0.000000 0.616138 Mg\n0.500000 0.500000 0.949472 Mg\n0.000000 0.500000 0.050528 Mg\n0.500000 0.000000 0.383862 Mg\n0.000000 0.500000 0.282805 Mg\n0.500000 0.500000 0.333333 Ni\n0.000000 0.000000 0.666667 Ni\n0.000000 0.000000 0.333333 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.666667 Ni\n0.500000 0.000000 0.000000 Ni\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 3.49056381741109,
"density_atomic": 0.05876980593572101,
"volume": 306.27972499496343,
"volume_molar": 10.246997865854222,
"formula_full": "Mg12 Ni6",
"formula_reduced": "Mg2Ni",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2744024761904762,
"spacegroup": 180
},
{
"id": "jvasp-16741",
"created_at": "2022-09-04T14:37:55.692473Z",
"updated_at": "2022-09-04T14:37:55.692503Z",
"structure_string": "In2 Cu4\n1.0\n2.239101 -3.878235 0.000000\n2.239101 3.878235 -0.000000\n-0.000000 -0.000000 5.385892\nIn Cu\n2 4\ndirect\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"In",
"Cu"
],
"chemical_system": "Cu-In",
"density": 8.588898551505004,
"density_atomic": 0.06414396602256765,
"volume": 93.5395855923382,
"volume_molar": 9.388475851152144,
"formula_full": "In2 Cu4",
"formula_reduced": "InCu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-29528",
"created_at": "2022-09-04T14:37:56.918094Z",
"updated_at": "2022-09-04T14:37:56.918125Z",
"structure_string": "Pb5 I10\n1.0\n4.588677 -0.000000 -0.000000\n-2.294339 3.973912 -0.000000\n0.000000 0.000000 35.214740\nPb I\n5 10\ndirect\n-0.000000 -0.000000 0.853002 Pb\n0.333333 0.666667 0.452924 Pb\n0.333333 0.666667 0.652641 Pb\n0.333333 0.666667 0.253090 Pb\n0.333333 0.666667 0.053336 Pb\n0.666667 0.333333 0.107152 I\n0.666667 0.333333 0.706430 I\n-0.000000 -0.000000 0.199287 I\n0.333333 0.666667 0.799205 I\n0.666667 0.333333 0.506718 I\n0.000000 0.000000 -0.000441 I\n0.666667 0.333333 0.306891 I\n0.666667 0.333333 0.906809 I\n-0.000000 -0.000000 0.399124 I\n-0.000000 -0.000000 0.598832 I\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.9607132354993535,
"density_atomic": 0.023359365317239044,
"volume": 642.1407344030066,
"volume_molar": 25.780412602031202,
"formula_full": "Pb5 I10",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00024,
"spacegroup": 156
},
{
"id": "jvasp-30116",
"created_at": "2022-09-04T14:37:55.643146Z",
"updated_at": "2022-09-04T14:37:55.643161Z",
"structure_string": "Cr2 O4\n1.0\n-1.267430 -2.473929 0.826417\n3.838268 2.346868 7.837910\n-1.512020 2.473974 0.000241\nCr O\n2 4\ndirect\n0.503086 0.749796 0.246301 Cr\n0.504830 0.249733 0.748205 Cr\n0.767520 0.143418 0.379581 O\n0.765797 0.643478 0.877725 O\n0.242110 0.356055 0.116795 O\n0.240396 0.856111 0.614901 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.313041511172328,
"density_atomic": 0.09276900059281758,
"volume": 64.67677738962875,
"volume_molar": 6.4915442890588295,
"formula_full": "Cr2 O4",
"formula_reduced": "CrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2117548,
"spacegroup": 166
},
{
"id": "jvasp-41168",
"created_at": "2022-09-04T14:37:36.495289Z",
"updated_at": "2022-09-04T14:37:36.495302Z",
"structure_string": "Np2 N4\n1.0\n4.891254 0.000000 0.000000\n0.000000 4.891254 0.000000\n0.000000 0.000000 3.494388\nNp N\n2 4\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Np\n0.316630 0.316630 0.000000 N\n0.683369 0.683369 0.000000 N\n0.183369 0.816630 0.500000 N\n0.816630 0.183369 0.500000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Np",
"N"
],
"chemical_system": "N-Np",
"density": 10.527745305238607,
"density_atomic": 0.07176946237679181,
"volume": 83.60101638353959,
"volume_molar": 8.390951472345693,
"formula_full": "Np2 N4",
"formula_reduced": "NpN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.800565499999999,
"spacegroup": 136
},
{
"id": "jvasp-128",
"created_at": "2022-09-04T14:37:55.605133Z",
"updated_at": "2022-09-04T14:37:55.605153Z",
"structure_string": "Pt1 Se2\n1.0\n1.890553 -3.274535 0.000000\n1.890553 3.274535 -0.000000\n-0.000000 -0.000000 5.189970\nPt Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.666666 0.333332 0.252185 Se\n0.333332 0.666666 0.747815 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pt",
"Se"
],
"chemical_system": "Pt-Se",
"density": 9.12211172764347,
"density_atomic": 0.046686134608644646,
"volume": 64.25890738541683,
"volume_molar": 12.899206178626125,
"formula_full": "Pt1 Se2",
"formula_reduced": "PtSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4727360444444444,
"spacegroup": 164
},
{
"id": "jvasp-37016",
"created_at": "2022-09-04T14:37:55.588174Z",
"updated_at": "2022-09-04T14:37:55.588197Z",
"structure_string": "K4 O8\n1.0\n6.128216 0.000000 -0.000000\n0.000000 6.128216 0.000000\n0.000000 -0.000000 6.128216\nK O\n4 8\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.436084 0.063916 0.936085 O\n0.063916 0.936085 0.436084 O\n0.936085 0.436084 0.063916 O\n0.563916 0.563916 0.563916 O\n0.436084 0.436084 0.436084 O\n0.063916 0.563916 0.936085 O\n0.936085 0.063916 0.563916 O\n0.563916 0.936085 0.063916 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.0519122402106644,
"density_atomic": 0.05214096359198548,
"volume": 230.145343954566,
"volume_molar": 11.549730471275096,
"formula_full": "K4 O8",
"formula_reduced": "KO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9643834166666666,
"spacegroup": 205
},
{
"id": "jvasp-55020",
"created_at": "2022-09-04T14:37:37.742876Z",
"updated_at": "2022-09-04T14:37:37.742883Z",
"structure_string": "Mo2 C1\n1.0\n1.442025 -2.497661 0.000000\n1.442025 2.497661 -0.000000\n-0.000000 0.000000 5.452234\nMo C\n2 1\ndirect\n0.666669 0.333335 0.257007 Mo\n0.666669 0.333335 0.742993 Mo\n0.000000 0.000000 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mo",
"C"
],
"chemical_system": "C-Mo",
"density": 8.62056537559114,
"density_atomic": 0.07638542337713182,
"volume": 39.27450902757104,
"volume_molar": 7.883887388130785,
"formula_full": "Mo2 C1",
"formula_reduced": "Mo2C",
"formula_anonymous": "AB2",
"energy_above_hull": 5.488873933333333,
"spacegroup": 187
},
{
"id": "jvasp-20266",
"created_at": "2022-09-04T14:37:40.525903Z",
"updated_at": "2022-09-04T14:37:40.525937Z",
"structure_string": "Yb2 Ni4\n1.0\n4.259807 0.000000 2.459400\n1.419936 4.016184 2.459400\n0.000000 0.000000 4.918801\nYb Ni\n2 4\ndirect\n0.875002 0.874999 0.874999 Yb\n0.125000 0.125000 0.125000 Yb\n0.500001 0.499999 0.500000 Ni\n0.500001 0.499999 -0.000000 Ni\n0.000001 0.499999 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Ni"
],
"chemical_system": "Ni-Yb",
"density": 11.461804739739572,
"density_atomic": 0.07129982652792405,
"volume": 84.1516773908299,
"volume_molar": 8.446220773961455,
"formula_full": "Yb2 Ni4",
"formula_reduced": "YbNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3732364000000001,
"spacegroup": 227
},
{
"id": "jvasp-16808",
"created_at": "2022-09-04T14:37:55.594648Z",
"updated_at": "2022-09-04T14:37:55.594660Z",
"structure_string": "Mg2 Rh1\n1.0\n3.061926 0.000000 -0.924426\n-0.279094 3.049180 -0.924426\n-0.008233 -0.009021 5.505870\nMg Rh\n2 1\ndirect\n0.643583 0.643581 0.287161 Mg\n0.356421 0.356420 0.712839 Mg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh",
"density": 4.899300982670984,
"density_atomic": 0.05841834034164234,
"volume": 51.35373552989335,
"volume_molar": 10.308647463761032,
"formula_full": "Mg2 Rh1",
"formula_reduced": "Mg2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2038636999999998,
"spacegroup": 139
},
{
"id": "jvasp-20176",
"created_at": "2022-09-04T14:37:40.564027Z",
"updated_at": "2022-09-04T14:37:40.564042Z",
"structure_string": "Re8 P4\n1.0\n2.976751 -0.000000 0.000000\n-0.000000 5.583442 0.000000\n0.000000 0.000000 10.174457\nRe P\n8 4\ndirect\n0.750000 0.147084 0.787132 Re\n0.250000 0.852916 0.212868 Re\n0.750000 0.647084 0.712868 Re\n0.250000 0.352916 0.287132 Re\n0.250000 0.326388 0.564914 Re\n0.750000 0.673611 0.435086 Re\n0.250000 0.826388 0.935086 Re\n0.750000 0.173611 0.064914 Re\n0.250000 0.902479 0.602746 P\n0.750000 0.097521 0.397254 P\n0.250000 0.402479 0.897254 P\n0.750000 0.597521 0.102746 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Re",
"P"
],
"chemical_system": "P-Re",
"density": 15.844409171137663,
"density_atomic": 0.07096194131982624,
"volume": 169.10473102639443,
"volume_molar": 8.48643744519072,
"formula_full": "Re8 P4",
"formula_reduced": "Re2P",
"formula_anonymous": "AB2",
"energy_above_hull": 4.910790500000001,
"spacegroup": 62
}
]
}