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=4346",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4344",
"results": [
{
"id": "jvasp-94957",
"created_at": "2022-09-04T14:36:22.138984Z",
"updated_at": "2022-09-04T14:36:22.139019Z",
"structure_string": "Ni4 O3\n1.0\n4.074242 -0.000000 -0.000000\n0.000000 4.074242 0.000000\n0.000000 0.000000 4.074242\nNi O\n4 3\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.499999 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500001 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 6.9429610593987325,
"density_atomic": 0.10350410530237787,
"volume": 67.63016770735938,
"volume_molar": 5.818262707944638,
"formula_full": "Ni4 O3",
"formula_reduced": "Ni4O3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.7845200142857145,
"spacegroup": 221
},
{
"id": "jvasp-103412",
"created_at": "2022-09-04T14:36:39.107154Z",
"updated_at": "2022-09-04T14:36:39.107176Z",
"structure_string": "Ti4 O3\n1.0\n3.872825 -0.014825 -3.358291\n-0.816449 3.785816 -3.358291\n0.012016 0.014825 5.126086\nTi O\n4 3\ndirect\n0.000001 0.500001 0.500002 Ti\n0.266279 0.266278 0.000000 Ti\n0.500001 -0.000000 0.500001 Ti\n0.733722 0.733721 0.000001 Ti\n0.750001 0.250000 0.500002 O\n0.000000 0.000000 0.000000 O\n0.250001 0.750001 0.500002 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.26801910835026,
"density_atomic": 0.09273679051771334,
"volume": 75.48244834570755,
"volume_molar": 6.493798983532572,
"formula_full": "Ti4 O3",
"formula_reduced": "Ti4O3",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.3399362619047626,
"spacegroup": 139
},
{
"id": "jvasp-57001",
"created_at": "2022-09-04T14:36:30.947668Z",
"updated_at": "2022-09-04T14:36:30.947695Z",
"structure_string": "Nd6 Se8\n1.0\n7.296139 0.000000 -2.579575\n-3.648070 6.318642 -2.579575\n0.000000 0.000000 7.738724\nNd Se\n6 8\ndirect\n0.125000 0.750000 0.874999 Nd\n0.625000 0.375000 0.249999 Nd\n0.375000 0.250000 0.624999 Nd\n0.750000 0.875000 0.124999 Nd\n0.250000 0.625000 0.374999 Nd\n0.875000 0.125000 0.749999 Nd\n0.649008 0.649008 0.649007 Se\n-0.000000 0.850992 0.499999 Se\n0.850992 0.500000 -0.000001 Se\n-0.000000 0.350992 0.499999 Se\n0.500000 -0.000000 0.850991 Se\n0.500000 -0.000000 0.350992 Se\n0.350992 0.500000 -0.000001 Se\n0.149008 0.149008 0.149007 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nd",
"Se"
],
"chemical_system": "Nd-Se",
"density": 6.968238128463547,
"density_atomic": 0.03924115924489723,
"volume": 356.76825734500966,
"volume_molar": 15.34649046022537,
"formula_full": "Nd6 Se8",
"formula_reduced": "Nd3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.4305254238095235,
"spacegroup": 220
},
{
"id": "jvasp-18470",
"created_at": "2022-09-04T14:36:36.071767Z",
"updated_at": "2022-09-04T14:36:36.071792Z",
"structure_string": "Cr3 Se4\n1.0\n3.537446 0.000000 -0.970397\n-0.766814 5.712133 -2.795310\n-0.015486 -0.027582 6.876376\nCr Se\n3 4\ndirect\n0.500001 0.500000 -0.000000 Cr\n0.237566 0.217420 0.475131 Cr\n0.762435 0.782580 0.524869 Cr\n0.866307 0.523328 0.732614 Se\n0.133694 0.476672 0.267387 Se\n0.378618 0.049359 0.757236 Se\n0.621383 0.950641 0.242764 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Cr",
"Se"
],
"chemical_system": "Cr-Se",
"density": 5.654209366435846,
"density_atomic": 0.05051691747202941,
"volume": 138.56744137002843,
"volume_molar": 11.92103766690512,
"formula_full": "Cr3 Se4",
"formula_reduced": "Cr3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.1805165238095245,
"spacegroup": 12
},
{
"id": "jvasp-29611",
"created_at": "2022-09-04T14:38:02.057013Z",
"updated_at": "2022-09-04T14:38:02.057041Z",
"structure_string": "Cr3 Te4\n1.0\n4.007965 0.000000 0.000000\n-2.003982 3.470891 -0.034395\n0.000000 0.120822 12.442779\nCr Te\n3 4\ndirect\n-0.000000 -0.000000 0.500000 Cr\n0.999881 0.999762 0.236687 Cr\n0.000118 0.000237 0.763313 Cr\n0.666503 0.333008 0.124359 Te\n0.666728 0.333457 0.629074 Te\n0.333496 0.666991 0.875641 Te\n0.333271 0.666541 0.370926 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.392229958364786,
"density_atomic": 0.04043653829907472,
"volume": 173.11076304868007,
"volume_molar": 14.89281974500226,
"formula_full": "Cr3 Te4",
"formula_reduced": "Cr3Te4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.923216180952381,
"spacegroup": 164
},
{
"id": "jvasp-17311",
"created_at": "2022-09-04T14:37:56.697533Z",
"updated_at": "2022-09-04T14:37:56.697543Z",
"structure_string": "Ti3 Te4\n1.0\n3.708767 -0.000000 -0.991002\n-0.861028 6.186465 -3.222345\n0.012356 -0.049652 7.481664\nTi Te\n3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.752149 0.706673 0.504296 Ti\n0.247853 0.293328 0.495704 Ti\n0.633717 0.960245 0.267433 Te\n0.366285 0.039757 0.732567 Te\n0.108681 0.450623 0.217361 Te\n0.891321 0.549378 0.782639 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.347114019189472,
"density_atomic": 0.04091163444639415,
"volume": 171.10047287824653,
"volume_molar": 14.719873311076613,
"formula_full": "Ti3 Te4",
"formula_reduced": "Ti3Te4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.361876580952381,
"spacegroup": 12
},
{
"id": "jvasp-57076",
"created_at": "2022-09-04T14:37:48.890678Z",
"updated_at": "2022-09-04T14:37:48.890705Z",
"structure_string": "V6 S8\n1.0\n3.073865 -0.000000 -0.000000\n1.536933 5.389971 -2.820232\n1.536933 3.878620 11.154911\nV S\n6 8\ndirect\n0.910879 0.948718 0.229519 V\n0.910893 0.448702 0.729507 V\n0.000034 0.999906 0.000023 V\n0.999963 0.500088 0.499979 V\n0.089118 0.551281 0.270482 V\n0.089102 0.051301 0.770493 V\n0.338953 0.183857 0.138233 S\n0.338943 0.683867 0.638242 S\n0.595710 0.681700 0.126879 S\n0.595732 0.181646 0.626887 S\n0.661045 0.316141 0.361767 S\n0.661051 0.816135 0.861757 S\n0.404288 0.818300 0.373121 S\n0.404264 0.318357 0.873112 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 4.273523579162393,
"density_atomic": 0.06409116255308302,
"volume": 218.4388524456021,
"volume_molar": 9.396210834859186,
"formula_full": "V6 S8",
"formula_reduced": "V3S4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.2443003714285714,
"spacegroup": 12
},
{
"id": "jvasp-22893",
"created_at": "2022-09-04T14:38:01.366723Z",
"updated_at": "2022-09-04T14:38:01.366747Z",
"structure_string": "Y6 Ge8\n1.0\n4.079720 0.000000 0.000000\n-2.039861 5.342879 0.000000\n-0.000000 0.000000 14.335416\nY Ge\n6 8\ndirect\n0.951714 0.903428 0.250000 Y\n0.048286 0.096573 0.750000 Y\n0.331420 0.662838 0.596490 Y\n0.668580 0.337162 0.403510 Y\n0.668580 0.337162 0.096490 Y\n0.331420 0.662838 0.903510 Y\n0.222685 0.445370 0.250000 Ge\n0.777315 0.554631 0.750000 Ge\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.378792 0.757584 0.390735 Ge\n0.621208 0.242416 0.609265 Ge\n0.378792 0.757584 0.109265 Ge\n0.621208 0.242416 0.890735 Ge\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Y",
"Ge"
],
"chemical_system": "Ge-Y",
"density": 5.922903328044419,
"density_atomic": 0.044803510016108786,
"volume": 312.4755179888004,
"volume_molar": 13.441225381303342,
"formula_full": "Y6 Ge8",
"formula_reduced": "Y3Ge4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.825448592857143,
"spacegroup": 63
},
{
"id": "jvasp-56860",
"created_at": "2022-09-04T14:37:58.569763Z",
"updated_at": "2022-09-04T14:37:58.569795Z",
"structure_string": "Ti6 Ni8\n1.0\n6.135934 -0.020028 -2.720718\n-4.176600 4.495120 -2.720718\n-0.008769 -0.020028 6.712073\nTi Ni\n6 8\ndirect\n0.499463 0.894617 0.761595 Ti\n0.238404 0.500536 0.105381 Ti\n0.500535 0.105381 0.238403 Ti\n0.105382 0.238404 0.500535 Ti\n0.894617 0.761595 0.499463 Ti\n0.761595 0.499463 0.894617 Ti\n0.580057 0.739956 0.058839 Ni\n0.419941 0.260043 0.941159 Ni\n0.739955 0.058839 0.580057 Ni\n0.058840 0.580057 0.739955 Ni\n0.260043 0.941160 0.419941 Ni\n0.000000 0.000000 0.000000 Ni\n0.941159 0.419942 0.260043 Ni\n0.499999 0.499999 0.499999 Ni\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ti",
"Ni"
],
"chemical_system": "Ni-Ti",
"density": 6.833136896446582,
"density_atomic": 0.07612846783552601,
"volume": 183.8996685214618,
"volume_molar": 7.9104977825256,
"formula_full": "Ti6 Ni8",
"formula_reduced": "Ti3Ni4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.4844678,
"spacegroup": 148
},
{
"id": "jvasp-55961",
"created_at": "2022-09-04T14:38:02.845012Z",
"updated_at": "2022-09-04T14:38:02.845032Z",
"structure_string": "As16 S12\n1.0\n7.995687 -0.000000 0.000000\n-0.000000 9.054419 0.000000\n0.000000 0.000000 10.274813\nAs S\n16 12\ndirect\n0.090602 0.141745 0.277172 As\n0.750000 0.659391 0.440331 As\n0.250000 0.340609 0.559669 As\n0.250000 0.840609 0.940331 As\n0.750000 0.031719 0.574306 As\n0.250000 0.968281 0.425693 As\n0.750000 0.531719 0.925693 As\n0.250000 0.468281 0.074307 As\n0.750000 0.159391 0.059669 As\n0.409398 0.141745 0.277172 As\n0.590603 0.358255 0.777172 As\n0.090602 0.641745 0.222828 As\n0.909398 0.358255 0.777172 As\n0.409398 0.641745 0.222828 As\n0.590603 0.858255 0.722828 As\n0.909398 0.858255 0.722828 As\n0.535602 0.167814 0.912215 S\n0.035602 0.832186 0.087785 S\n0.035602 0.332186 0.412215 S\n0.535602 0.667814 0.587785 S\n0.464398 0.832186 0.087785 S\n0.250000 0.095250 0.613942 S\n0.750000 0.904750 0.386057 S\n0.750000 0.404750 0.113943 S\n0.250000 0.595250 0.886057 S\n0.464398 0.332186 0.412215 S\n0.964399 0.167814 0.912215 S\n0.964399 0.667814 0.587785 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"As",
"S"
],
"chemical_system": "As-S",
"density": 3.534954978358469,
"density_atomic": 0.03764157024580061,
"volume": 743.8584473803601,
"volume_molar": 15.998643841569935,
"formula_full": "As16 S12",
"formula_reduced": "As4S3",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.422713857142857,
"spacegroup": 62
},
{
"id": "jvasp-59675",
"created_at": "2022-09-04T14:37:50.095058Z",
"updated_at": "2022-09-04T14:37:50.095078Z",
"structure_string": "Ce8 Sb6\n1.0\n7.684149 -0.000000 -2.716757\n-3.842074 6.654668 -2.716757\n0.000000 0.000000 8.150270\nCe Sb\n8 6\ndirect\n0.147081 0.147081 0.147081 Ce\n0.852920 0.500000 1.000000 Ce\n1.000001 0.852919 0.500000 Ce\n0.500000 -0.000000 0.852919 Ce\n1.000000 0.352919 0.500000 Ce\n0.500000 -0.000000 0.352919 Ce\n0.352920 0.500000 1.000000 Ce\n0.647081 0.647081 0.647081 Ce\n0.250000 0.625000 0.375000 Sb\n0.375000 0.250000 0.625000 Sb\n0.125001 0.750000 0.875000 Sb\n0.875000 0.125000 0.750000 Sb\n0.625000 0.375000 0.250000 Sb\n0.750001 0.875000 0.125000 Sb\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ce",
"Sb"
],
"chemical_system": "Ce-Sb",
"density": 7.376932878960299,
"density_atomic": 0.03359184583714967,
"volume": 416.76780930320933,
"volume_molar": 17.927388656148317,
"formula_full": "Ce8 Sb6",
"formula_reduced": "Ce4Sb3",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.077231471428572,
"spacegroup": 220
},
{
"id": "jvasp-35395",
"created_at": "2022-09-04T14:37:56.363035Z",
"updated_at": "2022-09-04T14:37:56.363060Z",
"structure_string": "Ta4 C3\n1.0\n4.447647 -0.000000 0.000000\n0.000000 4.447647 -0.000000\n-0.000000 0.000000 4.447647\nTa C\n4 3\ndirect\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 14.340719942432282,
"density_atomic": 0.07956225931228325,
"volume": 87.9814130532025,
"volume_molar": 7.569092195286955,
"formula_full": "Ta4 C3",
"formula_reduced": "Ta4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 7.258275257142856,
"spacegroup": 221
}
]
}