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=-formation_energy&page=56",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formation_energy&page=54",
"results": [
{
"id": "oqmd-953843",
"created_at": "2022-09-04T15:34:27.979097Z",
"updated_at": "2022-09-04T15:34:27.979131Z",
"structure_string": "Cs1 B1 Os1\n1.0\n0.000000 3.495596 3.495596\n3.495596 0.000000 3.495596\n3.495596 3.495596 0.000000\nB Cs Os\n1 1 1\ndirect\n0.250000 0.250000 0.250000 B\n0.000000 0.000000 0.000000 Cs\n0.749999 0.749999 0.749999 Os\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"Cs",
"Os"
],
"chemical_system": "B-Cs-Os",
"density": 6.491308271418068,
"density_atomic": 0.03511782076269555,
"volume": 85.42671312870293,
"volume_molar": 17.148389704172967,
"formula_full": "Cs1 B1 Os1",
"formula_reduced": "CsBOs",
"formula_anonymous": "ABC",
"formation_energy": 3.60875295,
"spacegroup": 216
},
{
"id": "oqmd-953884",
"created_at": "2022-09-04T15:34:27.738471Z",
"updated_at": "2022-09-04T15:34:27.738499Z",
"structure_string": "Cs1 V1 W1\n1.0\n0.000000 3.874281 3.874281\n3.874281 0.000000 3.874281\n3.874281 3.874281 0.000000\nCs V W\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250001 0.250001 0.250001 V\n0.750001 0.750001 0.750001 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cs",
"V",
"W"
],
"chemical_system": "Cs-V-W",
"density": 5.2495728865831195,
"density_atomic": 0.025793953280457492,
"volume": 116.30632836234984,
"volume_molar": 23.347102689228368,
"formula_full": "Cs1 V1 W1",
"formula_reduced": "CsVW",
"formula_anonymous": "ABC",
"formation_energy": 3.60832226333333,
"spacegroup": 216
},
{
"id": "oqmd-1236778",
"created_at": "2022-09-04T15:40:28.162169Z",
"updated_at": "2022-09-04T15:40:28.162189Z",
"structure_string": "Ti2 Os4\n1.0\n0.000000 5.273514 5.273514\n5.273514 0.000000 5.273514\n5.273514 5.273514 0.000000\nOs Ti\n4 2\ndirect\n0.125000 0.125000 0.125000 Os\n0.625000 0.125000 0.125000 Os\n0.125000 0.625000 0.125000 Os\n0.125000 0.125000 0.625000 Os\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Os",
"Ti"
],
"chemical_system": "Os-Ti",
"density": 4.849804576267286,
"density_atomic": 0.02045601082364651,
"volume": 293.3123203603406,
"volume_molar": 29.439467997536415,
"formula_full": "Ti2 Os4",
"formula_reduced": "TiOs2",
"formula_anonymous": "AB2",
"formation_energy": 3.60720199207125,
"spacegroup": 227
},
{
"id": "oqmd-1589586",
"created_at": "2022-09-04T15:57:19.818126Z",
"updated_at": "2022-09-04T15:57:19.818136Z",
"structure_string": "C4 Cl2\n1.0\n0.000000 3.219884 3.219884\n3.219884 0.000000 3.219884\n3.219884 3.219884 0.000000\nC Cl\n4 2\ndirect\n0.125000 0.125000 0.125000 C\n0.625000 0.125000 0.125000 C\n0.125000 0.625000 0.125000 C\n0.125000 0.125000 0.625000 C\n0.500000 0.500000 0.500000 Cl\n0.750000 0.750000 0.750000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"Cl"
],
"chemical_system": "C-Cl",
"density": 2.9584108650244505,
"density_atomic": 0.08986706882918072,
"volume": 66.7652798535668,
"volume_molar": 6.701165219316191,
"formula_full": "C4 Cl2",
"formula_reduced": "C2Cl",
"formula_anonymous": "AB2",
"formation_energy": 3.6066735381269592,
"spacegroup": 227
},
{
"id": "oqmd-902278",
"created_at": "2022-09-04T15:33:12.986853Z",
"updated_at": "2022-09-04T15:33:12.986882Z",
"structure_string": "K1 Re1 Tc1\n1.0\n0.000000 3.110918 3.110918\n3.110918 0.000000 3.110918\n3.110918 3.110918 0.000000\nK Re Tc\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Re",
"Tc"
],
"chemical_system": "K-Re-Tc",
"density": 8.915921468861674,
"density_atomic": 0.04982250594946581,
"volume": 60.21375165357707,
"volume_molar": 12.087189604850796,
"formula_full": "K1 Re1 Tc1",
"formula_reduced": "KReTc",
"formula_anonymous": "ABC",
"formation_energy": 3.60494085833333,
"spacegroup": 216
},
{
"id": "oqmd-1238621",
"created_at": "2022-09-04T15:40:46.481087Z",
"updated_at": "2022-09-04T15:40:46.481116Z",
"structure_string": "Ti2 Mo4\n1.0\n3.817378 2.203964 6.233752\n-3.817378 2.203964 6.233752\n0.000000 -4.407928 6.233752\nMo Ti\n4 2\ndirect\n0.625000 0.625000 0.125002 Mo\n0.625000 0.125002 0.625000 Mo\n0.125002 0.625000 0.625000 Mo\n0.625000 0.625000 0.625000 Mo\n0.499999 0.499999 0.499999 Ti\n0.750001 0.750001 0.750001 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"Ti"
],
"chemical_system": "Mo-Ti",
"density": 2.5302407216413663,
"density_atomic": 0.019066931958698997,
"volume": 314.680936240641,
"volume_molar": 31.584214875495427,
"formula_full": "Ti2 Mo4",
"formula_reduced": "TiMo2",
"formula_anonymous": "AB2",
"formation_energy": 3.60469165207125,
"spacegroup": 227
},
{
"id": "oqmd-991541",
"created_at": "2022-09-04T15:35:47.051738Z",
"updated_at": "2022-09-04T15:35:47.051766Z",
"structure_string": "Rb1 Ta1 Re1\n1.0\n0.000000 3.255550 3.255550\n3.255550 0.000000 3.255550\n3.255550 3.255550 0.000000\nRb Re Ta\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.249999 0.249999 0.249999 Re\n0.750001 0.750001 0.750001 Ta\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Re",
"Ta"
],
"chemical_system": "Rb-Re-Ta",
"density": 10.891364786311637,
"density_atomic": 0.0434728537030064,
"volume": 69.00858224065774,
"volume_molar": 13.852646530042572,
"formula_full": "Rb1 Ta1 Re1",
"formula_reduced": "RbTaRe",
"formula_anonymous": "ABC",
"formation_energy": 3.604513975,
"spacegroup": 216
},
{
"id": "oqmd-347127",
"created_at": "2022-09-04T15:16:00.372654Z",
"updated_at": "2022-09-04T15:16:00.372668Z",
"structure_string": "C3 F1\n1.0\n3.187532 0.000000 0.000000\n0.000000 3.187532 0.000000\n0.000000 0.000000 3.187532\nC F\n3 1\ndirect\n0.499998 0.499998 0.000000 C\n0.499998 0.000000 0.499998 C\n0.000000 0.499998 0.499998 C\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"F"
],
"chemical_system": "C-F",
"density": 2.8215576052471936,
"density_atomic": 0.12350835321541544,
"volume": 32.386473431667035,
"volume_molar": 4.875897543137478,
"formula_full": "C3 F1",
"formula_reduced": "C3F",
"formula_anonymous": "AB3",
"formation_energy": 3.60263509459222,
"spacegroup": 221
},
{
"id": "oqmd-901591",
"created_at": "2022-09-04T15:43:11.285429Z",
"updated_at": "2022-09-04T15:43:11.285466Z",
"structure_string": "K1 B1 W1\n1.0\n0.000000 3.306038 3.306038\n3.306038 0.000000 3.306038\n3.306038 3.306038 0.000000\nB K W\n1 1 1\ndirect\n0.250000 0.250000 0.250000 B\n0.000000 0.000000 0.000000 K\n0.750001 0.750001 0.750001 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"K",
"W"
],
"chemical_system": "B-K-W",
"density": 5.370885544347712,
"density_atomic": 0.04151143395734912,
"volume": 72.26924521765129,
"volume_molar": 14.507185577321764,
"formula_full": "K1 B1 W1",
"formula_reduced": "KBW",
"formula_anonymous": "ABC",
"formation_energy": 3.60250293166667,
"spacegroup": 216
},
{
"id": "oqmd-345931",
"created_at": "2022-09-04T14:51:08.139715Z",
"updated_at": "2022-09-04T14:51:08.139743Z",
"structure_string": "Cs1 N3\n1.0\n3.816356 0.000000 0.000000\n0.000000 3.816356 0.000000\n0.000000 0.000000 3.816356\nCs N\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500001 0.500001 0.000000 N\n0.500001 0.000000 0.500001 N\n0.000000 0.500001 0.500001 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"N"
],
"chemical_system": "Cs-N",
"density": 5.22583520196895,
"density_atomic": 0.07196367790495597,
"volume": 55.583596009126836,
"volume_molar": 8.3683059778484,
"formula_full": "Cs1 N3",
"formula_reduced": "CsN3",
"formula_anonymous": "AB3",
"formation_energy": 3.60206338849237,
"spacegroup": 221
},
{
"id": "oqmd-1240944",
"created_at": "2022-09-04T15:40:54.538233Z",
"updated_at": "2022-09-04T15:40:54.538252Z",
"structure_string": "Na2 Zr4\n1.0\n4.444273 2.565902 7.257467\n-4.444273 2.565902 7.257467\n0.000000 -5.131804 7.257467\nNa Zr\n2 4\ndirect\n0.500001 0.500001 0.500001 Na\n0.749999 0.749999 0.749999 Na\n0.624998 0.624998 0.125003 Zr\n0.624998 0.125003 0.624998 Zr\n0.125003 0.624998 0.624998 Zr\n0.624998 0.624998 0.624998 Zr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Na",
"Zr"
],
"chemical_system": "Na-Zr",
"density": 1.3739858803554132,
"density_atomic": 0.012082982217356734,
"volume": 496.56615329460914,
"volume_molar": 49.83985452986457,
"formula_full": "Na2 Zr4",
"formula_reduced": "NaZr2",
"formula_anonymous": "AB2",
"formation_energy": 3.60192277304945,
"spacegroup": 227
},
{
"id": "oqmd-900368",
"created_at": "2022-09-04T15:33:10.520977Z",
"updated_at": "2022-09-04T15:33:10.521003Z",
"structure_string": "K1 Re1 Mo1\n1.0\n0.000000 3.139193 3.139193\n3.139193 0.000000 3.139193\n3.139193 3.139193 0.000000\nK Mo Re\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.249999 0.249999 0.249999 Mo\n0.750000 0.750000 0.750000 Re\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Mo",
"Re"
],
"chemical_system": "K-Mo-Re",
"density": 8.621877188057823,
"density_atomic": 0.048488327822875904,
"volume": 61.87056008528005,
"volume_molar": 12.419774057786467,
"formula_full": "K1 Re1 Mo1",
"formula_reduced": "KReMo",
"formula_anonymous": "ABC",
"formation_energy": 3.60061828333333,
"spacegroup": 216
}
]
}