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=created_at&page=65",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=created_at&page=63",
"results": [
{
"id": "oqmd-6693",
"created_at": "2022-09-04T14:48:49.338929Z",
"updated_at": "2022-09-04T14:48:49.338956Z",
"structure_string": "Cd4 O8\n1.0\n5.315200 0.000000 0.000000\n0.000000 5.315200 0.000000\n0.000000 0.000000 5.315200\nCd O\n4 8\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.918948 0.418948 0.081052 O\n0.581052 0.918948 0.081052 O\n0.418948 0.418948 0.418948 O\n0.081052 0.918948 0.418948 O\n0.918948 0.081052 0.581052 O\n0.581052 0.581052 0.581052 O\n0.418948 0.081052 0.918948 O\n0.081052 0.581052 0.918948 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.387735473391065,
"density_atomic": 0.07991391617127071,
"volume": 150.161581047808,
"volume_molar": 7.535784815117068,
"formula_full": "Cd4 O8",
"formula_reduced": "CdO2",
"formula_anonymous": "AB2",
"formation_energy": -0.813338981419169,
"spacegroup": 205
},
{
"id": "oqmd-67636",
"created_at": "2022-09-04T14:48:49.343828Z",
"updated_at": "2022-09-04T14:48:49.343852Z",
"structure_string": "Mg2 Pd2\n1.0\n3.048773 0.000000 0.000000\n0.000000 4.577342 0.000000\n0.000000 0.000000 4.578447\nMg Pd\n2 2\ndirect\n0.000000 0.080962 0.000000 Mg\n0.000000 0.585705 0.500001 Mg\n0.500001 0.580544 0.000000 Pd\n0.500001 0.086122 0.500001 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 6.794869190956122,
"density_atomic": 0.06260418241019859,
"volume": 63.89349474753905,
"volume_molar": 9.619390475450022,
"formula_full": "Mg2 Pd2",
"formula_reduced": "MgPd",
"formula_anonymous": "AB",
"formation_energy": -0.746355932083335,
"spacegroup": 123
},
{
"id": "oqmd-25974",
"created_at": "2022-09-04T14:48:49.344298Z",
"updated_at": "2022-09-04T14:48:49.344324Z",
"structure_string": "Dy3 In3 Ir3\n1.0\n7.516975 -0.000047 0.000000\n-3.758528 6.509867 0.000000\n0.000000 0.000000 3.946802\nDy In Ir\n3 3 3\ndirect\n0.000000 0.405725 0.000000 Dy\n0.594269 0.594268 0.000000 Dy\n0.405725 0.000000 0.000000 Dy\n0.257518 0.257517 0.500000 In\n0.000000 0.742463 0.500000 In\n0.742463 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Ir\n0.666631 0.333313 0.500000 Ir\n0.333314 0.666630 0.500000 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"In",
"Ir"
],
"chemical_system": "Dy-In-Ir",
"density": 12.110981190036625,
"density_atomic": 0.0465997424004498,
"volume": 193.1341148339294,
"volume_molar": 12.923120278754745,
"formula_full": "Dy3 In3 Ir3",
"formula_reduced": "DyInIr",
"formula_anonymous": "ABC",
"formation_energy": -0.708682256666668,
"spacegroup": 189
},
{
"id": "oqmd-8386",
"created_at": "2022-09-04T14:48:49.349177Z",
"updated_at": "2022-09-04T14:48:49.349206Z",
"structure_string": "Si1 Rh1\n1.0\n2.980893 0.000000 0.000000\n0.000000 2.980893 0.000000\n0.000000 0.000000 2.980893\nRh Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Si\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"Si"
],
"chemical_system": "Rh-Si",
"density": 8.212046379805814,
"density_atomic": 0.07550762914082543,
"volume": 26.487389721506183,
"volume_molar": 7.975539463394372,
"formula_full": "Si1 Rh1",
"formula_reduced": "SiRh",
"formula_anonymous": "AB",
"formation_energy": -0.539796512500001,
"spacegroup": 221
},
{
"id": "oqmd-18984",
"created_at": "2022-09-04T14:48:49.351295Z",
"updated_at": "2022-09-04T14:48:49.351321Z",
"structure_string": "Si1\n1.0\n2.650491 0.000000 0.000000\n-1.325245 2.295392 0.000000\n0.000000 0.000000 2.474158\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.0982797573742524,
"density_atomic": 0.06643384244259244,
"volume": 15.05256904060805,
"volume_molar": 9.064868956215983,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"formation_energy": 0.307862904999999,
"spacegroup": 191
},
{
"id": "oqmd-10454",
"created_at": "2022-09-04T14:48:49.352324Z",
"updated_at": "2022-09-04T14:48:49.352342Z",
"structure_string": "Er1 Al3\n1.0\n4.231105 0.000000 0.000000\n0.000000 4.231105 0.000000\n0.000000 0.000000 4.231105\nAl Er\n3 1\ndirect\n0.499999 0.499999 0.000000 Al\n0.499999 0.000000 0.499999 Al\n0.000000 0.499999 0.499999 Al\n0.000000 0.000000 0.000000 Er\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Er"
],
"chemical_system": "Al-Er",
"density": 5.441213819418627,
"density_atomic": 0.0528078616929158,
"volume": 75.7462974596565,
"volume_molar": 11.403871633772047,
"formula_full": "Er1 Al3",
"formula_reduced": "ErAl3",
"formula_anonymous": "AB3",
"formation_energy": -0.416281587499999,
"spacegroup": 221
},
{
"id": "oqmd-25156",
"created_at": "2022-09-04T14:48:49.356767Z",
"updated_at": "2022-09-04T14:48:49.356783Z",
"structure_string": "Eu2 B1 Br1 N2\n1.0\n-1.981557 3.432156 0.000000\n3.963113 0.000000 0.000000\n1.981557 -1.144052 -8.723611\nB Br Eu N\n1 1 2 2\ndirect\n0.500000 0.500000 0.500001 B\n0.000000 0.000000 0.000000 Br\n0.751077 0.248925 0.253227 Eu\n0.248924 0.751078 0.746772 Eu\n0.448584 0.551416 0.345752 N\n0.551415 0.448585 0.654247 N\n",
"nsites": 6,
"nelements": 4,
"elements": [
"B",
"Br",
"Eu",
"N"
],
"chemical_system": "B-Br-Eu-N",
"density": 5.914755281112399,
"density_atomic": 0.050565171438721704,
"volume": 118.6587492790607,
"volume_molar": 11.90966150940087,
"formula_full": "Eu2 B1 Br1 N2",
"formula_reduced": "Eu2BBrN2",
"formula_anonymous": "ABC2D2",
"formation_energy": -1.70954274468381,
"spacegroup": 166
},
{
"id": "oqmd-4790",
"created_at": "2022-09-04T14:48:49.363154Z",
"updated_at": "2022-09-04T14:48:49.363182Z",
"structure_string": "Bi4 S4 Cl4\n1.0\n7.833088 0.000000 0.000000\n0.000000 10.306179 0.000000\n0.000000 0.000000 4.017402\nBi Cl S\n4 4 4\ndirect\n0.132815 0.132288 0.250000 Bi\n0.632814 0.367711 0.250000 Bi\n0.367186 0.632289 0.750000 Bi\n0.867185 0.867711 0.750000 Bi\n0.025937 0.700677 0.250000 Cl\n0.525937 0.799322 0.250000 Cl\n0.474062 0.200678 0.750000 Cl\n0.974063 0.299322 0.750000 Cl\n0.817656 0.043726 0.250000 S\n0.317656 0.456275 0.250000 S\n0.682344 0.543725 0.750000 S\n0.182344 0.956275 0.750000 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Cl",
"S"
],
"chemical_system": "Bi-Cl-S",
"density": 5.662728413051406,
"density_atomic": 0.037000301919466974,
"volume": 324.32167786410514,
"volume_molar": 16.27592329680848,
"formula_full": "Bi4 S4 Cl4",
"formula_reduced": "BiSCl",
"formula_anonymous": "ABC",
"formation_energy": -0.864402734877494,
"spacegroup": 62
},
{
"id": "oqmd-18888",
"created_at": "2022-09-04T14:48:49.363232Z",
"updated_at": "2022-09-04T14:48:49.363259Z",
"structure_string": "Pr2 Rh4\n1.0\n3.830437 -3.830437 0.000000\n-3.830437 0.000000 -3.830437\n3.830437 3.830437 0.000000\nPr Rh\n2 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750001 0.500000 0.250000 Pr\n0.375000 0.750001 0.125000 Rh\n0.375000 0.250000 0.625000 Rh\n0.875001 0.250000 0.625000 Rh\n0.375000 0.750001 0.625000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Rh"
],
"chemical_system": "Pr-Rh",
"density": 10.244277377244165,
"density_atomic": 0.05337971900695355,
"volume": 112.40224024443451,
"volume_molar": 11.281701874855358,
"formula_full": "Pr2 Rh4",
"formula_reduced": "PrRh2",
"formula_anonymous": "AB2",
"formation_energy": -0.633292805833334,
"spacegroup": 227
},
{
"id": "oqmd-7634",
"created_at": "2022-09-04T14:48:49.369700Z",
"updated_at": "2022-09-04T14:48:49.369726Z",
"structure_string": "Mn2 Ni2 Ge2\n1.0\n4.075873 0.000000 0.000000\n-2.037937 3.534995 -0.000026\n0.000000 -0.000039 5.251026\nGe Mn Ni\n2 2 2\ndirect\n0.333387 0.666773 0.250006 Ge\n0.666615 0.333228 0.749994 Ge\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.499999 Mn\n0.666646 0.333290 0.250002 Ni\n0.333354 0.666708 0.750000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ge",
"Mn",
"Ni"
],
"chemical_system": "Ge-Mn-Ni",
"density": 8.176581329470139,
"density_atomic": 0.07930446406104852,
"volume": 75.65778384658402,
"volume_molar": 7.593697065229721,
"formula_full": "Mn2 Ni2 Ge2",
"formula_reduced": "MnNiGe",
"formula_anonymous": "ABC",
"formation_energy": -0.237248166264366,
"spacegroup": 194
},
{
"id": "oqmd-7911",
"created_at": "2022-09-04T14:48:49.376474Z",
"updated_at": "2022-09-04T14:48:49.376493Z",
"structure_string": "Al2 Cr4 C2\n1.0\n2.843370 0.000000 0.000000\n-1.421685 2.462439 0.000000\n0.000000 0.000000 12.689010\nAl C Cr\n2 2 4\ndirect\n0.666690 0.333377 0.250000 Al\n0.333312 0.666624 0.750000 Al\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.333328 0.666656 0.084710 Cr\n0.333328 0.666656 0.415290 Cr\n0.666674 0.333344 0.584710 Cr\n0.666674 0.333344 0.915290 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"C",
"Cr"
],
"chemical_system": "Al-C-Cr",
"density": 5.344920749808695,
"density_atomic": 0.09004578521320611,
"volume": 88.84369191803906,
"volume_molar": 6.687865229606319,
"formula_full": "Al2 Cr4 C2",
"formula_reduced": "AlCr2C",
"formula_anonymous": "ABC2",
"formation_energy": -0.163105878125,
"spacegroup": 194
},
{
"id": "oqmd-5506",
"created_at": "2022-09-04T14:48:49.382492Z",
"updated_at": "2022-09-04T14:48:49.382537Z",
"structure_string": "Ta8 O4\n1.0\n-3.740380 -3.740380 3.740380\n-3.740380 3.740380 -3.740380\n3.740380 -3.740380 -3.740380\nO Ta\n4 8\ndirect\n0.289358 0.000000 0.000000 O\n0.000000 0.289358 0.000000 O\n0.000000 0.000000 0.289358 O\n0.710642 0.710642 0.710642 O\n0.000000 0.000000 0.000000 Ta\n0.572479 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.572479 0.000000 Ta\n0.427521 0.427521 0.427521 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.572479 Ta\n",
"nsites": 12,
"nelements": 2,
"elements": [
"O",
"Ta"
],
"chemical_system": "O-Ta",
"density": 11.991492734624225,
"density_atomic": 0.0573289617115341,
"volume": 209.3182859368915,
"volume_molar": 10.504534846282407,
"formula_full": "Ta8 O4",
"formula_reduced": "Ta2O",
"formula_anonymous": "AB2",
"formation_energy": 0.306902000540415,
"spacegroup": 217
}
]
}