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=formula_anonymous&page=44",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formula_anonymous&page=42",
"results": [
{
"id": "oqmd-1215588",
"created_at": "2022-09-04T15:39:05.723877Z",
"updated_at": "2022-09-04T15:39:05.723904Z",
"structure_string": "Cs2\n1.0\n0.000000 -0.000000 -5.225041\n-4.824144 -4.824144 2.612520\n-4.824144 4.824144 -2.612520\nCs\n2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.500000 0.500000 Cs\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8149374636931002,
"density_atomic": 0.008223747577306382,
"volume": 243.19812606104855,
"volume_molar": 73.22866738539294,
"formula_full": "Cs2",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"formation_energy": 0.057305395,
"spacegroup": 141
},
{
"id": "oqmd-1215870",
"created_at": "2022-09-04T15:39:05.726305Z",
"updated_at": "2022-09-04T15:39:05.726353Z",
"structure_string": "I3\n1.0\n4.679636 0.000000 0.000000\n-2.339818 4.052684 0.000000\n0.000000 0.000000 8.468489\nI\n3\ndirect\n0.903640 0.903641 0.000000 I\n0.096357 0.000000 0.333333 I\n0.000000 0.096358 0.666667 I\n",
"nsites": 3,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 3.936284943335922,
"density_atomic": 0.01867929633087742,
"volume": 160.6056216925534,
"volume_molar": 32.23965535599554,
"formula_full": "I3",
"formula_reduced": "I",
"formula_anonymous": "A",
"formation_energy": 0.04201167833333,
"spacegroup": 152
},
{
"id": "oqmd-1215649",
"created_at": "2022-09-04T15:39:05.733381Z",
"updated_at": "2022-09-04T15:39:05.733405Z",
"structure_string": "Tl2\n1.0\n0.000000 0.000000 -3.325707\n3.078612 3.078612 1.662853\n3.078612 -3.078612 -1.662853\nTl\n2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250001 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.767146055068663,
"density_atomic": 0.03172532645745027,
"volume": 63.04111646202861,
"volume_molar": 18.982123850094474,
"formula_full": "Tl2",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"formation_energy": 0.09566885,
"spacegroup": 141
},
{
"id": "oqmd-1215990",
"created_at": "2022-09-04T15:39:05.735692Z",
"updated_at": "2022-09-04T15:39:05.735736Z",
"structure_string": "Ru4\n1.0\n4.116912 -0.000000 0.000000\n-2.058457 3.565349 0.000000\n0.000000 0.000000 4.765614\nRu\n4\ndirect\n0.000000 0.000000 0.250001 Ru\n0.333332 0.666664 0.250001 Ru\n0.000000 0.000000 0.750000 Ru\n0.666668 0.333333 0.750000 Ru\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ru"
],
"chemical_system": "Ru",
"density": 9.59707435813853,
"density_atomic": 0.05718307379921795,
"volume": 69.95076924414485,
"volume_molar": 10.531334466462978,
"formula_full": "Ru4",
"formula_reduced": "Ru",
"formula_anonymous": "A",
"formation_energy": 1.3110642675,
"spacegroup": 194
},
{
"id": "oqmd-1215806",
"created_at": "2022-09-04T15:39:05.745562Z",
"updated_at": "2022-09-04T15:39:05.745601Z",
"structure_string": "Pr2\n1.0\n-3.716321 0.000033 -0.000100\n-1.858131 -3.218445 -0.000100\n1.858312 1.072897 6.040735\nPr\n2\ndirect\n0.749996 0.749997 0.249996 Pr\n0.250001 0.250001 0.750003 Pr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.476899175978766,
"density_atomic": 0.027681107831655248,
"volume": 72.25144355360166,
"volume_molar": 21.755418159649192,
"formula_full": "Pr2",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"formation_energy": 0.0062336675000001,
"spacegroup": 225
},
{
"id": "oqmd-1215885",
"created_at": "2022-09-04T15:39:05.745908Z",
"updated_at": "2022-09-04T15:39:05.745944Z",
"structure_string": "Ne3\n1.0\n3.562732 -0.000000 0.000000\n-1.781366 3.085418 0.000000\n0.000000 0.000000 3.969483\nNe\n3\ndirect\n0.664923 0.664925 0.000000 Ne\n0.335077 0.000000 0.333333 Ne\n0.000000 0.335076 0.666666 Ne\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ne"
],
"chemical_system": "Ne",
"density": 2.3038486660549364,
"density_atomic": 0.06875276124776708,
"volume": 43.63461111312722,
"volume_molar": 8.75912567103708,
"formula_full": "Ne3",
"formula_reduced": "Ne",
"formula_anonymous": "A",
"formation_energy": 0.137580003333333,
"spacegroup": 166
},
{
"id": "oqmd-1214574",
"created_at": "2022-09-04T15:39:02.642038Z",
"updated_at": "2022-09-04T15:39:02.642067Z",
"structure_string": "Ta1\n1.0\n0.000000 2.109386 -2.109386\n2.109386 0.000000 2.109386\n0.000000 -2.109386 -2.109386\nTa\n1\ndirect\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 16.006796485108797,
"density_atomic": 0.05327234648082671,
"volume": 18.771465235906415,
"volume_molar": 11.304440592207506,
"formula_full": "Ta1",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"formation_energy": 0.242353049999998,
"spacegroup": 225
},
{
"id": "oqmd-1215924",
"created_at": "2022-09-04T15:39:08.365875Z",
"updated_at": "2022-09-04T15:39:08.365903Z",
"structure_string": "Zn3\n1.0\n4.188612 0.000000 0.000000\n-2.094306 3.627444 0.000000\n0.000000 0.000000 3.004275\nZn\n3\ndirect\n0.667062 0.667062 0.000000 Zn\n0.332936 0.000000 0.333332 Zn\n0.000000 0.332940 0.666667 Zn\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 7.138341628271118,
"density_atomic": 0.065721992528967,
"volume": 45.646820562808536,
"volume_molar": 9.16305262252318,
"formula_full": "Zn3",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"formation_energy": 0.09177822333333,
"spacegroup": 166
},
{
"id": "oqmd-1216011",
"created_at": "2022-09-04T15:39:05.809402Z",
"updated_at": "2022-09-04T15:39:05.809418Z",
"structure_string": "Y4\n1.0\n5.554368 0.000000 0.000000\n-2.777183 4.810224 0.000000\n0.000000 0.000000 5.436693\nY\n4\ndirect\n0.000000 0.000000 0.249999 Y\n0.333334 0.666667 0.249999 Y\n0.000000 0.000000 0.749998 Y\n0.666667 0.333332 0.749998 Y\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.065412950942375,
"density_atomic": 0.027537545669449853,
"volume": 145.25622755253744,
"volume_molar": 21.86883621469927,
"formula_full": "Y4",
"formula_reduced": "Y",
"formula_anonymous": "A",
"formation_energy": 0.89889745,
"spacegroup": 194
},
{
"id": "oqmd-1214652",
"created_at": "2022-09-04T15:39:02.817861Z",
"updated_at": "2022-09-04T15:39:02.817885Z",
"structure_string": "Re1\n1.0\n0.000000 1.607946 -2.193107\n1.392522 0.803973 2.193107\n1.392523 -0.803973 -2.193107\nRe\n1\ndirect\n0.000000 0.000000 0.000000 Re\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.988932172499652,
"density_atomic": 0.06788053294911903,
"volume": 14.73176412373731,
"volume_molar": 8.871675719626415,
"formula_full": "Re1",
"formula_reduced": "Re",
"formula_anonymous": "A",
"formation_energy": 0.0856139550000012,
"spacegroup": 225
},
{
"id": "oqmd-1214576",
"created_at": "2022-09-04T15:39:02.976177Z",
"updated_at": "2022-09-04T15:39:02.976209Z",
"structure_string": "Tc1\n1.0\n0.000000 1.936701 -1.936701\n1.936701 0.000000 1.936701\n0.000000 -1.936701 -1.936701\nTc\n1\ndirect\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tc"
],
"chemical_system": "Tc",
"density": 11.201016760829686,
"density_atomic": 0.06883071388994523,
"volume": 14.528397912578962,
"volume_molar": 8.749205724684069,
"formula_full": "Tc1",
"formula_reduced": "Tc",
"formula_anonymous": "A",
"formation_energy": 0.0690598950000005,
"spacegroup": 225
},
{
"id": "oqmd-1214943",
"created_at": "2022-09-04T15:39:06.004191Z",
"updated_at": "2022-09-04T15:39:06.004215Z",
"structure_string": "Yb20\n1.0\n9.172519 0.000000 0.000000\n0.000000 9.172519 0.000000\n0.000000 0.000000 9.172519\nYb\n20\ndirect\n0.875000 0.696490 0.053510 Yb\n0.057710 0.057710 0.057710 Yb\n0.196490 0.446490 0.124999 Yb\n0.807711 0.307710 0.192290 Yb\n0.446490 0.124999 0.196490 Yb\n0.553510 0.625000 0.303510 Yb\n0.192290 0.807711 0.307710 Yb\n0.803510 0.946489 0.375000 Yb\n0.942289 0.557710 0.442290 Yb\n0.124999 0.196490 0.446490 Yb\n0.625000 0.303510 0.553510 Yb\n0.442290 0.942289 0.557710 Yb\n0.303510 0.553510 0.625000 Yb\n0.692290 0.692290 0.692290 Yb\n0.053510 0.875000 0.696490 Yb\n0.946489 0.375000 0.803510 Yb\n0.307710 0.192290 0.807711 Yb\n0.696490 0.053510 0.875000 Yb\n0.557710 0.442290 0.942289 Yb\n0.375000 0.803510 0.946489 Yb\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.446629380040938,
"density_atomic": 0.02591577111052671,
"volume": 771.730847394165,
"volume_molar": 23.237358959208706,
"formula_full": "Yb20",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"formation_energy": 0.0315122729999999,
"spacegroup": 213
}
]
}