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=updated_at&page=30",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=updated_at&page=28",
"results": [
{
"id": "oqmd-8391",
"created_at": "2022-09-04T14:48:48.243569Z",
"updated_at": "2022-09-04T14:48:48.243601Z",
"structure_string": "U1\n1.0\n1.711496 1.711496 1.711496\n1.711496 -1.711496 -1.711496\n-1.711496 1.711496 -1.711496\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.71020533203413,
"density_atomic": 0.0498668968231764,
"volume": 20.053383380680604,
"volume_molar": 12.076429743270326,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"formation_energy": 0.274825495,
"spacegroup": 229
},
{
"id": "oqmd-14858",
"created_at": "2022-09-04T14:48:48.247408Z",
"updated_at": "2022-09-04T14:48:48.247437Z",
"structure_string": "Er2 Cu2 Ge2\n1.0\n4.240544 0.000000 0.000000\n-2.120272 3.672363 0.000000\n0.000000 0.000000 7.101027\nCu Er Ge\n2 2 2\ndirect\n0.333330 0.666661 0.024643 Cu\n0.666669 0.333339 0.524642 Cu\n0.000000 0.000000 0.239156 Er\n0.000000 0.000000 0.739156 Er\n0.333340 0.666680 0.462599 Ge\n0.666661 0.333322 0.962600 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Er",
"Ge"
],
"chemical_system": "Cu-Er-Ge",
"density": 9.113196570665444,
"density_atomic": 0.05425789109169267,
"volume": 110.58299316979257,
"volume_molar": 11.099105842176824,
"formula_full": "Er2 Cu2 Ge2",
"formula_reduced": "ErCuGe",
"formula_anonymous": "ABC",
"formation_energy": -0.683644605,
"spacegroup": 186
},
{
"id": "oqmd-30492",
"created_at": "2022-09-04T14:48:48.247542Z",
"updated_at": "2022-09-04T14:48:48.247570Z",
"structure_string": "Sm1 Ge2 Ru2\n1.0\n-4.284489 0.000000 0.000000\n0.000000 -4.284489 0.000000\n2.142244 2.142244 4.994644\nGe Ru Sm\n2 2 1\ndirect\n0.631817 0.631817 0.263636 Ge\n0.368182 0.368182 0.736365 Ge\n0.749999 0.250000 0.500000 Ru\n0.250000 0.749999 0.500000 Ru\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ge",
"Ru",
"Sm"
],
"chemical_system": "Ge-Ru-Sm",
"density": 9.015377939372271,
"density_atomic": 0.05453400596072631,
"volume": 91.68591068847655,
"volume_molar": 11.042909197495886,
"formula_full": "Sm1 Ge2 Ru2",
"formula_reduced": "Sm(GeRu)2",
"formula_anonymous": "AB2C2",
"formation_energy": -0.6558580875,
"spacegroup": 139
},
{
"id": "oqmd-12418",
"created_at": "2022-09-04T14:48:48.249085Z",
"updated_at": "2022-09-04T14:48:48.249105Z",
"structure_string": "Ba1 Eu2 Ni1 O5\n1.0\n3.793129 0.000000 0.000000\n0.000000 5.736490 0.000036\n-1.896566 -2.868210 5.557717\nBa Eu Ni O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.209362 0.709360 0.418723 Eu\n0.790637 0.290638 0.581276 Eu\n0.499999 0.499999 0.000000 Ni\n0.000000 0.499999 0.000000 O\n0.628401 0.858473 0.256805 O\n0.628402 0.398338 0.256806 O\n0.371597 0.141524 0.743193 O\n0.371597 0.601661 0.743193 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Ni",
"O"
],
"chemical_system": "Ba-Eu-Ni-O",
"density": 7.963326395475883,
"density_atomic": 0.07442191150952603,
"volume": 120.93212627101089,
"volume_molar": 8.091892075668017,
"formula_full": "Ba1 Eu2 Ni1 O5",
"formula_reduced": "BaEu2NiO5",
"formula_anonymous": "ABC2D5",
"formation_energy": -2.47123138175905,
"spacegroup": 71
},
{
"id": "oqmd-5691",
"created_at": "2022-09-04T14:48:48.250897Z",
"updated_at": "2022-09-04T14:48:48.250919Z",
"structure_string": "Pd3 F9\n1.0\n4.905647 0.001735 0.000716\n-2.451321 4.245812 0.000000\n0.001098 0.000634 7.166218\nF Pd\n9 3\ndirect\n0.340154 0.324518 0.184631 F\n0.983946 0.659385 0.184659 F\n0.674381 0.014886 0.184945 F\n0.683080 0.683096 0.499978 F\n0.000000 0.316728 0.500001 F\n0.316921 0.000000 0.500022 F\n0.325619 0.340505 0.815054 F\n0.016054 0.675441 0.815342 F\n0.659848 0.984365 0.815368 F\n0.000000 0.001120 0.000000 Pd\n0.666585 0.333261 0.345785 Pd\n0.333415 0.666675 0.654214 Pd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"F",
"Pd"
],
"chemical_system": "F-Pd",
"density": 5.452894553614543,
"density_atomic": 0.08037954029623517,
"volume": 149.2917221941621,
"volume_molar": 7.49213137796717,
"formula_full": "Pd3 F9",
"formula_reduced": "PdF3",
"formula_anonymous": "AB3",
"formation_energy": -1.45474340268166,
"spacegroup": 150
},
{
"id": "oqmd-67249",
"created_at": "2022-09-04T14:48:48.255662Z",
"updated_at": "2022-09-04T14:48:48.255672Z",
"structure_string": "Mg3 Cu1\n1.0\n3.082904 0.000000 0.000000\n-1.541452 2.669872 0.000000\n0.000000 0.000000 9.404732\nCu Mg\n1 3\ndirect\n0.666667 0.333334 0.750000 Cu\n0.666667 0.333334 0.250000 Mg\n0.000000 0.000000 0.531503 Mg\n0.000000 0.000000 0.968498 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Mg"
],
"chemical_system": "Cu-Mg",
"density": 2.927256511278671,
"density_atomic": 0.0516729344139019,
"volume": 77.40996414021834,
"volume_molar": 11.65434250697368,
"formula_full": "Mg3 Cu1",
"formula_reduced": "Mg3Cu",
"formula_anonymous": "AB3",
"formation_energy": 0.0288834106249976,
"spacegroup": 187
},
{
"id": "oqmd-14015",
"created_at": "2022-09-04T14:48:48.256000Z",
"updated_at": "2022-09-04T14:48:48.256026Z",
"structure_string": "Sc3 P3 Ru3\n1.0\n6.558646 -0.000133 0.000000\n-3.279438 5.679887 0.000000\n0.000000 0.000000 3.631716\nP Ru Sc\n3 3 3\ndirect\n0.666686 0.333374 0.000000 P\n0.333373 0.666687 0.000000 P\n0.000000 0.000000 0.500001 P\n0.244316 0.000000 0.000000 Ru\n0.000000 0.244316 0.000000 Ru\n0.755700 0.755700 0.000000 Ru\n0.589293 0.000000 0.500001 Sc\n0.410718 0.410718 0.500001 Sc\n0.000000 0.589293 0.500001 Sc\n",
"nsites": 9,
"nelements": 3,
"elements": [
"P",
"Ru",
"Sc"
],
"chemical_system": "P-Ru-Sc",
"density": 6.517516478880903,
"density_atomic": 0.06652453211016217,
"volume": 135.28843743081623,
"volume_molar": 9.05251126009809,
"formula_full": "Sc3 P3 Ru3",
"formula_reduced": "ScPRu",
"formula_anonymous": "ABC",
"formation_energy": -1.27325649687554,
"spacegroup": 189
},
{
"id": "oqmd-67247",
"created_at": "2022-09-04T14:48:48.256292Z",
"updated_at": "2022-09-04T14:48:48.256300Z",
"structure_string": "Mg3 Sc1\n1.0\n3.202500 0.000000 0.000000\n-1.601249 2.773445 0.000000\n0.000000 0.000000 10.465450\nMg Sc\n3 1\ndirect\n0.000000 0.000000 0.000446 Mg\n0.666666 0.333333 0.250000 Mg\n0.000000 0.000000 0.499554 Mg\n0.666666 0.333333 0.750000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.1056643185299655,
"density_atomic": 0.04303218396708113,
"volume": 92.95368329573814,
"volume_molar": 13.994504124184894,
"formula_full": "Mg3 Sc1",
"formula_reduced": "Mg3Sc",
"formula_anonymous": "AB3",
"formation_energy": 0.0128667043749973,
"spacegroup": 187
},
{
"id": "oqmd-11217",
"created_at": "2022-09-04T14:48:48.260203Z",
"updated_at": "2022-09-04T14:48:48.260213Z",
"structure_string": "La2 Ge2 I2\n1.0\n4.434740 -0.000019 -0.000030\n-2.217386 3.840572 -0.000009\n-0.000161 -0.000120 11.784667\nGe I La\n2 2 2\ndirect\n0.666668 0.333337 0.011021 Ge\n0.333332 0.666665 0.988979 Ge\n0.333358 0.666682 0.350452 I\n0.666643 0.333318 0.649548 I\n0.000000 0.000000 0.173186 La\n0.000000 0.000000 0.826813 La\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ge",
"I",
"La"
],
"chemical_system": "Ge-I-La",
"density": 5.60006695284002,
"density_atomic": 0.029893098637052192,
"volume": 200.7152243683116,
"volume_molar": 20.14558889701591,
"formula_full": "La2 Ge2 I2",
"formula_reduced": "LaGeI",
"formula_anonymous": "ABC",
"formation_energy": -1.19620803247611,
"spacegroup": 164
},
{
"id": "oqmd-5729",
"created_at": "2022-09-04T14:48:48.268949Z",
"updated_at": "2022-09-04T14:48:48.268972Z",
"structure_string": "Si4 O8\n1.0\n4.909069 0.000098 0.000046\n-2.454450 4.251427 -0.000046\n0.000072 -0.000042 8.507269\nO Si\n8 4\ndirect\n0.617798 0.617797 0.000000 O\n0.382158 0.000000 0.000000 O\n0.333283 0.666642 0.249997 O\n0.617842 0.000000 0.499974 O\n0.382196 0.382197 0.499999 O\n0.000000 0.617845 0.500026 O\n0.666641 0.333285 0.750003 O\n0.000000 0.382160 0.000000 O\n0.333306 0.666649 0.062304 Si\n0.333335 0.666676 0.437699 Si\n0.666677 0.333335 0.562301 Si\n0.666649 0.333306 0.937696 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"O",
"Si"
],
"chemical_system": "O-Si",
"density": 2.2477140551118655,
"density_atomic": 0.06758529482473036,
"volume": 177.55341648090348,
"volume_molar": 8.910430553890873,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"formation_energy": -3.06807652391917,
"spacegroup": 182
},
{
"id": "oqmd-13449",
"created_at": "2022-09-04T14:48:48.269400Z",
"updated_at": "2022-09-04T14:48:48.269426Z",
"structure_string": "Sm4 S3 N2\n1.0\n0.000000 3.927236 0.000000\n-6.613373 1.963618 0.021878\n-0.188271 -1.963618 7.890885\nN S Sm\n2 3 4\ndirect\n0.712635 0.934123 0.359391 N\n0.287367 0.065876 0.640610 N\n0.000000 0.000000 0.000000 S\n0.388319 0.442851 0.219493 S\n0.611678 0.557150 0.780509 S\n0.706133 0.729795 0.142059 Sm\n0.108085 0.137564 0.353735 Sm\n0.891916 0.862435 0.646266 Sm\n0.293868 0.270205 0.857940 Sm\n",
"nsites": 9,
"nelements": 3,
"elements": [
"N",
"S",
"Sm"
],
"chemical_system": "N-S-Sm",
"density": 5.879953443677777,
"density_atomic": 0.043917848617980954,
"volume": 204.9280710056275,
"volume_molar": 13.712285436346258,
"formula_full": "Sm4 S3 N2",
"formula_reduced": "Sm4S3N2",
"formula_anonymous": "A2B3C4",
"formation_energy": -2.01750153363634,
"spacegroup": 12
},
{
"id": "oqmd-14243",
"created_at": "2022-09-04T14:48:48.270802Z",
"updated_at": "2022-09-04T14:48:48.270829Z",
"structure_string": "Fe1 Si4 P4\n1.0\n4.879700 -0.003783 -0.000799\n1.854732 5.221424 -0.003045\n2.233350 -0.274193 5.639641\nFe P Si\n1 4 4\ndirect\n0.999687 0.001119 0.000337 Fe\n0.636226 0.398951 0.116253 P\n0.155606 0.010468 0.308359 P\n0.762251 0.641158 0.564976 P\n0.328687 0.217877 0.769504 P\n0.680481 0.778035 0.216732 Si\n0.239476 0.338870 0.430714 Si\n0.847334 0.971730 0.697712 Si\n0.343451 0.600092 0.886213 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"P",
"Si"
],
"chemical_system": "Fe-P-Si",
"density": 3.3742999957838986,
"density_atomic": 0.06261411380301724,
"volume": 143.7375609645107,
"volume_molar": 9.61786471808183,
"formula_full": "Fe1 Si4 P4",
"formula_reduced": "Fe(SiP)4",
"formula_anonymous": "AB4C4",
"formation_energy": -0.394947919537751,
"spacegroup": 1
}
]
}