HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system&page=7",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system&page=5",
"results": [
{
"id": "oqmd-758440",
"created_at": "2022-09-04T15:24:23.036451Z",
"updated_at": "2022-09-04T15:24:23.036480Z",
"structure_string": "Zr8 Zn4\n1.0\n15.612792 0.000000 0.000000\n0.000000 3.169047 0.000000\n0.000000 0.000000 4.908432\nZn Zr\n4 8\ndirect\n0.283835 0.000000 0.000000 Zn\n0.784028 0.500002 0.000000 Zn\n0.160412 0.000000 0.499999 Zn\n0.660606 0.500002 0.499999 Zn\n0.631644 0.000000 0.000000 Zr\n0.944070 0.000000 0.000000 Zr\n0.131431 0.500002 0.000000 Zr\n0.444004 0.500002 0.000000 Zr\n0.500437 0.000000 0.499999 Zr\n0.813009 0.000000 0.499999 Zr\n0.000370 0.500002 0.499999 Zr\n0.312797 0.500002 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.778884660671654,
"density_atomic": 0.04941163368774402,
"volume": 242.85778680854386,
"volume_molar": 12.187698140192683,
"formula_full": "Zr8 Zn4",
"formula_reduced": "Zr2Zn",
"formula_anonymous": "AB2",
"formation_energy": -0.14404283,
"spacegroup": 63
},
{
"id": "oqmd-758415",
"created_at": "2022-09-04T15:25:11.271136Z",
"updated_at": "2022-09-04T15:25:11.271157Z",
"structure_string": "Zr8 Zn6\n1.0\n5.400813 6.238251 0.000000\n-2.698867 7.796483 0.000000\n0.000000 0.000000 4.672941\nZn Zr\n6 8\ndirect\n0.697841 0.444883 0.000000 Zn\n0.301982 0.571472 0.000000 Zn\n0.428698 0.840659 0.000000 Zn\n0.523724 0.397399 0.500000 Zn\n0.650361 0.666591 0.500000 Zn\n0.254512 0.793177 0.500000 Zn\n0.571596 0.168317 0.000000 Zr\n0.142876 0.285738 0.000000 Zr\n0.831477 0.714481 0.000000 Zr\n0.025450 0.974309 0.000000 Zr\n0.380745 0.069786 0.500000 Zr\n0.926930 0.263793 0.500000 Zr\n0.120887 0.523600 0.500000 Zr\n0.809485 0.952364 0.500000 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.765665613108799,
"density_atomic": 0.05082781042644688,
"volume": 275.4397618653956,
"volume_molar": 11.848121548959233,
"formula_full": "Zr8 Zn6",
"formula_reduced": "Zr4Zn3",
"formula_anonymous": "A3B4",
"formation_energy": -0.0773750478571417,
"spacegroup": 176
},
{
"id": "oqmd-748992",
"created_at": "2022-09-04T15:21:45.228389Z",
"updated_at": "2022-09-04T15:21:45.228418Z",
"structure_string": "Zr1 Zn3\n1.0\n0.000000 3.203392 3.203392\n3.203392 0.000000 3.203392\n3.203392 3.203392 0.000000\nZn Zr\n3 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Zn\n0.250001 0.250001 0.250001 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.260268224879525,
"density_atomic": 0.06084147520195001,
"volume": 65.74462546680323,
"volume_molar": 9.898084719364245,
"formula_full": "Zr1 Zn3",
"formula_reduced": "ZrZn3",
"formula_anonymous": "AB3",
"formation_energy": -0.149575165,
"spacegroup": 225
},
{
"id": "oqmd-758433",
"created_at": "2022-09-04T15:26:21.923264Z",
"updated_at": "2022-09-04T15:26:21.923298Z",
"structure_string": "Zr8 Zn8\n1.0\n5.700832 0.000000 0.000000\n0.000000 11.461197 0.000000\n0.000000 0.000000 4.519731\nZn Zr\n8 8\ndirect\n0.046590 0.509653 0.000000 Zn\n0.409926 0.636852 0.000000 Zn\n0.409926 0.863147 0.000000 Zn\n0.046590 0.990347 0.000000 Zn\n0.286718 0.009636 0.499999 Zn\n0.923428 0.136841 0.499999 Zn\n0.923428 0.363160 0.499999 Zn\n0.286718 0.490363 0.499999 Zn\n0.589223 0.091985 0.000000 Zr\n0.107747 0.250000 0.000000 Zr\n0.589223 0.408015 0.000000 Zr\n0.864958 0.749999 0.000000 Zr\n0.468367 0.250000 0.499999 Zr\n0.744111 0.591986 0.499999 Zr\n0.225525 0.749999 0.499999 Zr\n0.744111 0.908014 0.499999 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.045982213530417,
"density_atomic": 0.05418002170296183,
"volume": 295.3118049254184,
"volume_molar": 11.115057858440819,
"formula_full": "Zr8 Zn8",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.16947589625,
"spacegroup": 59
},
{
"id": "oqmd-758442",
"created_at": "2022-09-04T15:22:06.642129Z",
"updated_at": "2022-09-04T15:22:06.642141Z",
"structure_string": "Zr4 Zn4\n1.0\n4.444453 0.000000 0.000000\n0.000000 7.490100 0.000000\n0.000000 0.000000 4.445348\nZn Zr\n4 4\ndirect\n0.918172 0.000000 0.000000 Zn\n0.414575 0.000000 0.500001 Zn\n0.915897 0.228934 0.500001 Zn\n0.915897 0.771064 0.500001 Zn\n0.417581 0.228106 0.000000 Zr\n0.917137 0.500000 0.000000 Zr\n0.417581 0.771892 0.000000 Zr\n0.416497 0.500000 0.500001 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.030410048837908,
"density_atomic": 0.054060279671910134,
"volume": 147.98295622130902,
"volume_molar": 11.139677405570508,
"formula_full": "Zr4 Zn4",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.12071881375,
"spacegroup": 123
},
{
"id": "oqmd-1224314",
"created_at": "2022-09-04T15:39:22.383314Z",
"updated_at": "2022-09-04T15:39:22.383334Z",
"structure_string": "Zr1 Zn1\n1.0\n0.000000 3.003034 3.003034\n3.003034 0.000000 3.003034\n3.003034 3.003034 0.000000\nZn Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250001 0.250001 0.250001 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 4.801994077647134,
"density_atomic": 0.03692489357194327,
"volume": 54.16400174866489,
"volume_molar": 16.309162132767305,
"formula_full": "Zr1 Zn1",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": 1.12745353,
"spacegroup": 216
},
{
"id": "oqmd-758434",
"created_at": "2022-09-04T15:23:24.949410Z",
"updated_at": "2022-09-04T15:23:24.949425Z",
"structure_string": "Zr6 Zn2\n1.0\n5.846593 -3.378900 0.000000\n-0.444082 5.988348 0.000000\n0.000000 0.000000 4.993218\nZn Zr\n2 6\ndirect\n0.071875 0.644486 0.000000 Zn\n0.761475 0.022164 0.500000 Zn\n0.582792 0.112474 0.000000 Zr\n0.029644 0.113189 0.000000 Zr\n0.527445 0.554122 0.000000 Zr\n0.305907 0.112530 0.500000 Zr\n0.803708 0.553463 0.500000 Zr\n0.250560 0.554177 0.500000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.730008417349616,
"density_atomic": 0.047810473626384485,
"volume": 167.3273530506327,
"volume_molar": 12.595860913364067,
"formula_full": "Zr6 Zn2",
"formula_reduced": "Zr3Zn",
"formula_anonymous": "AB3",
"formation_energy": -0.0645843800000003,
"spacegroup": 63
},
{
"id": "oqmd-31126",
"created_at": "2022-09-04T14:49:00.309137Z",
"updated_at": "2022-09-04T14:49:00.309152Z",
"structure_string": "Zr1 Zn1\n1.0\n3.336000 0.000000 0.000000\n0.000000 3.336000 0.000000\n0.000000 0.000000 3.336000\nZn Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.0057435824938565,
"density_atomic": 0.05387060708385141,
"volume": 37.125997055999996,
"volume_molar": 11.17889900632888,
"formula_full": "Zr1 Zn1",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.282258519999999,
"spacegroup": 221
},
{
"id": "oqmd-758441",
"created_at": "2022-09-04T15:24:22.007054Z",
"updated_at": "2022-09-04T15:24:22.007075Z",
"structure_string": "Zr6 Zn6\n1.0\n7.756076 -1.515707 0.000000\n0.024924 6.191889 0.000000\n0.000000 0.000000 4.759653\nZn Zr\n6 6\ndirect\n0.633532 0.162663 0.000000 Zn\n0.342689 0.323855 0.000000 Zn\n0.340486 0.848686 0.000000 Zn\n0.546296 0.398377 0.500001 Zn\n0.255130 0.559306 0.500001 Zn\n0.548412 0.873409 0.500001 Zn\n0.987379 0.004302 0.000000 Zr\n0.032196 0.503354 0.000000 Zr\n0.647465 0.660438 0.000000 Zr\n0.241469 0.061709 0.500001 Zr\n0.856672 0.219095 0.500001 Zr\n0.901479 0.718113 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.821841287289612,
"density_atomic": 0.05245649191247659,
"volume": 228.76100864735568,
"volume_molar": 11.48025828728294,
"formula_full": "Zr6 Zn6",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.0694821133333334,
"spacegroup": 11
},
{
"id": "oqmd-1519733",
"created_at": "2022-09-04T15:54:12.422414Z",
"updated_at": "2022-09-04T15:54:12.422439Z",
"structure_string": "Zr1 Zn5\n1.0\n0.000000 3.636274 3.636274\n3.636274 0.000000 3.636274\n3.636274 3.636274 0.000000\nZn Zr\n5 1\ndirect\n0.625695 0.625695 0.122916 Zn\n0.250000 0.250000 0.250000 Zn\n0.625695 0.122916 0.625695 Zn\n0.625695 0.625695 0.625695 Zn\n0.122916 0.625695 0.625695 Zn\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.222789829034817,
"density_atomic": 0.06239523901418779,
"volume": 96.16118304532314,
"volume_molar": 9.651602999117692,
"formula_full": "Zr1 Zn5",
"formula_reduced": "ZrZn5",
"formula_anonymous": "AB5",
"formation_energy": -0.0136756233333334,
"spacegroup": 216
},
{
"id": "oqmd-327420",
"created_at": "2022-09-04T15:04:02.383068Z",
"updated_at": "2022-09-04T15:04:02.383103Z",
"structure_string": "Zr1 Zn1\n1.0\n1.556824 0.898832 4.694342\n-1.556824 0.898832 4.694342\n0.000000 -1.797665 4.694342\nZn Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.599152764517418,
"density_atomic": 0.05074413036639874,
"volume": 39.41342546534881,
"volume_molar": 11.86765979930495,
"formula_full": "Zr1 Zn1",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.0267997399999995,
"spacegroup": 166
},
{
"id": "oqmd-758422",
"created_at": "2022-09-04T15:22:28.019760Z",
"updated_at": "2022-09-04T15:22:28.019785Z",
"structure_string": "Zr5 Zn5\n1.0\n2.592292 4.495033 0.000000\n-5.274315 6.045265 0.000000\n0.000000 0.000000 4.834169\nZn Zr\n5 5\ndirect\n0.411328 0.207805 0.000000 Zn\n0.819275 0.392320 0.000000 Zn\n0.621765 0.800022 0.000000 Zn\n0.049839 0.208034 0.499999 Zn\n0.458250 0.391895 0.499999 Zn\n0.029584 0.006727 0.000000 Zr\n0.236403 0.593454 0.000000 Zr\n0.626760 0.005696 0.499999 Zr\n0.832836 0.594036 0.499999 Zr\n0.247136 0.800012 0.499999 Zr\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.831442444899155,
"density_atomic": 0.05253031993416245,
"volume": 190.366249673203,
"volume_molar": 11.464123514853327,
"formula_full": "Zr5 Zn5",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.050520495,
"spacegroup": 38
}
]
}