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=-density_atomic&page=7",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-density_atomic&page=5",
"results": [
{
"id": "oqmd-885028",
"created_at": "2022-09-04T15:43:09.371881Z",
"updated_at": "2022-09-04T15:43:09.371902Z",
"structure_string": "Ag3 Pt3 Rh2\n1.0\n3.043633 0.000000 0.000000\n0.000000 3.043633 0.000000\n0.000000 0.000000 3.043633\nAg Pt Rh\n3 3 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.249999 0.249999 0.249999 Ag\n0.750000 0.750000 0.750000 Ag\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Pt",
"Rh"
],
"chemical_system": "Ag-Pt-Rh",
"density": 65.64741394125794,
"density_atomic": 0.28373514573913305,
"volume": 28.19530861839451,
"volume_molar": 2.1224514658951605,
"formula_full": "Ag3 Pt3 Rh2",
"formula_reduced": "Ag3Pt3Rh2",
"formula_anonymous": "A2B3C3",
"formation_energy": 0.560279294166666,
"spacegroup": 166
},
{
"id": "oqmd-310517",
"created_at": "2022-09-04T15:15:54.390321Z",
"updated_at": "2022-09-04T15:15:54.390343Z",
"structure_string": "H3 N1\n1.0\n0.000001 1.922463 1.922463\n1.922463 0.000001 1.922463\n1.922463 1.922463 0.000001\nH N\n3 1\ndirect\n0.000000 0.000000 0.000000 H\n0.250002 0.250002 0.250002 H\n0.499999 0.499999 0.499999 H\n0.749999 0.749999 0.749999 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 1.9900930322154813,
"density_atomic": 0.2814857178674162,
"volume": 14.210312446061854,
"volume_molar": 2.13941254484411,
"formula_full": "H3 N1",
"formula_reduced": "H3N",
"formula_anonymous": "AB3",
"formation_energy": 1.56976302952599,
"spacegroup": 225
},
{
"id": "oqmd-1602863",
"created_at": "2022-09-04T16:00:01.516596Z",
"updated_at": "2022-09-04T16:00:01.516616Z",
"structure_string": "Be1 H5\n1.0\n3.136560 0.000000 0.000000\n-1.568280 2.716341 0.000000\n0.000000 0.000000 2.534128\nBe H\n1 5\ndirect\n0.000000 0.000000 0.000000 Be\n0.666667 0.333333 0.000000 H\n0.333333 0.666667 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.500000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Be",
"H"
],
"chemical_system": "Be-H",
"density": 1.0807298715108946,
"density_atomic": 0.2778976116661578,
"volume": 21.59068573503209,
"volume_molar": 2.167035810021455,
"formula_full": "Be1 H5",
"formula_reduced": "BeH5",
"formula_anonymous": "AB5",
"formation_energy": 1.0128682365131871,
"spacegroup": 191
},
{
"id": "oqmd-26552",
"created_at": "2022-09-04T14:49:21.933709Z",
"updated_at": "2022-09-04T14:49:21.933739Z",
"structure_string": "Na8 Sr24 Ta7 O48\n1.0\n4.882516 2.818922 3.861939\n-4.882516 2.818922 3.861939\n0.000000 -5.637843 3.861939\nNa O Sr Ta\n8 48 24 7\ndirect\n0.666667 0.333333 0.083341 Na\n0.000000 0.000000 0.250000 Na\n0.250000 0.250000 0.250000 Na\n0.333334 0.666667 0.416659 Na\n0.666667 0.333333 0.583341 Na\n0.000000 0.000000 0.750000 Na\n0.750000 0.750000 0.750000 Na\n0.333333 0.666666 0.916660 Na\n0.720033 0.925472 0.054893 O\n0.358670 0.511902 0.066794 O\n0.488098 0.846767 0.066794 O\n0.153233 0.641330 0.066794 O\n0.945107 0.279967 0.074528 O\n0.845243 0.025342 0.099869 O\n0.974659 0.819900 0.099869 O\n0.180100 0.154758 0.099869 O\n0.554893 0.425472 0.220033 O\n0.821426 0.307992 0.233471 O\n0.486566 0.178575 0.233471 O\n0.692007 0.513431 0.233471 O\n0.307993 0.821426 0.266532 O\n0.513435 0.692008 0.266533 O\n0.178573 0.486567 0.266533 O\n0.074528 0.945107 0.279967 O\n0.154758 0.180099 0.400133 O\n0.819902 0.974658 0.400133 O\n0.025341 0.845242 0.400133 O\n0.220033 0.554893 0.425472 O\n0.641331 0.153233 0.433208 O\n0.846767 0.488097 0.433208 O\n0.511903 0.358670 0.433208 O\n0.574528 0.779967 0.445107 O\n0.425472 0.220033 0.554893 O\n0.488098 0.641330 0.566794 O\n0.153233 0.511902 0.566794 O\n0.358670 0.846767 0.566794 O\n0.779967 0.445107 0.574528 O\n0.974659 0.154758 0.599869 O\n0.180099 0.025341 0.599869 O\n0.845242 0.819901 0.599869 O\n0.925472 0.054893 0.720033 O\n0.692007 0.178574 0.733471 O\n0.821425 0.513433 0.733471 O\n0.486568 0.307993 0.733471 O\n0.513434 0.821428 0.766532 O\n0.178574 0.692008 0.766532 O\n0.307992 0.486565 0.766533 O\n0.445107 0.574528 0.779967 O\n0.154757 0.974658 0.900132 O\n0.819902 0.845243 0.900133 O\n0.025341 0.180097 0.900133 O\n0.054893 0.720033 0.925472 O\n0.846767 0.358669 0.933208 O\n0.511903 0.153233 0.933208 O\n0.641331 0.488097 0.933208 O\n0.279967 0.074528 0.945107 O\n0.666669 0.684428 0.083320 Sr\n0.017760 0.333330 0.083320 Sr\n0.315571 0.982239 0.083320 Sr\n0.398908 0.750000 0.101092 Sr\n0.898908 0.601092 0.250000 Sr\n0.351107 0.351092 0.250019 Sr\n0.000000 0.648893 0.250020 Sr\n0.648909 0.000000 0.250020 Sr\n0.750000 0.101092 0.398908 Sr\n0.684430 0.666671 0.416685 Sr\n0.982243 0.315571 0.416686 Sr\n0.333329 0.017757 0.416686 Sr\n0.315571 0.333330 0.583320 Sr\n0.666670 0.982239 0.583320 Sr\n0.017760 0.684429 0.583320 Sr\n0.250000 0.898908 0.601092 Sr\n0.101092 0.398908 0.750000 Sr\n0.648908 0.648894 0.750019 Sr\n0.351108 0.000000 0.750020 Sr\n0.000000 0.351091 0.750020 Sr\n0.601092 0.250000 0.898908 Sr\n0.982243 0.666670 0.916685 Sr\n0.333329 0.315570 0.916685 Sr\n0.684430 0.017757 0.916686 Sr\n0.000000 0.000000 0.000000 Ta\n0.333335 0.666665 0.166653 Ta\n0.666669 0.333332 0.333346 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.500004 Ta\n0.333335 0.666665 0.666653 Ta\n0.666669 0.333332 0.833346 Ta\n",
"nsites": 87,
"nelements": 4,
"elements": [
"Na",
"O",
"Sr",
"Ta"
],
"chemical_system": "Na-O-Sr-Ta",
"density": 22.500422637687215,
"density_atomic": 0.2727946882525078,
"volume": 318.9211657943644,
"volume_molar": 2.2075725882263906,
"formula_full": "Na8 Sr24 Ta7 O48",
"formula_reduced": "Na8Sr24Ta7O48",
"formula_anonymous": "A7B8C24D48",
"formation_energy": -3.01792785055674,
"spacegroup": 2
},
{
"id": "oqmd-345557",
"created_at": "2022-09-04T14:50:52.332690Z",
"updated_at": "2022-09-04T14:50:52.332718Z",
"structure_string": "B1 H3\n1.0\n2.448858 0.000000 0.000000\n0.000000 2.448858 0.000000\n0.000000 0.000000 2.448858\nB H\n1 3\ndirect\n0.000000 0.000000 0.000000 B\n0.499996 0.499996 0.000000 H\n0.499996 0.000000 0.499996 H\n0.000000 0.499996 0.499996 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.5643423482694216,
"density_atomic": 0.27237621657131755,
"volume": 14.685570019116046,
"volume_molar": 2.210964244898818,
"formula_full": "B1 H3",
"formula_reduced": "BH3",
"formula_anonymous": "AB3",
"formation_energy": 1.32818667586187,
"spacegroup": 221
},
{
"id": "oqmd-1215954",
"created_at": "2022-09-04T15:39:05.683279Z",
"updated_at": "2022-09-04T15:39:05.683316Z",
"structure_string": "H4\n1.0\n1.993771 0.000000 0.000000\n-0.996886 1.726657 0.000000\n0.000000 0.000000 4.269607\nH\n4\ndirect\n0.000000 0.000000 0.249997 H\n0.333335 0.666670 0.249997 H\n0.000000 0.000000 0.749999 H\n0.666668 0.333332 0.749999 H\n",
"nsites": 4,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.4554854611097167,
"density_atomic": 0.2721389727448202,
"volume": 14.698372525094845,
"volume_molar": 2.212891707225945,
"formula_full": "H4",
"formula_reduced": "H",
"formula_anonymous": "A",
"formation_energy": 0.5635327425,
"spacegroup": 194
},
{
"id": "oqmd-297910",
"created_at": "2022-09-04T14:49:40.997925Z",
"updated_at": "2022-09-04T14:49:40.997954Z",
"structure_string": "B1 H3\n1.0\n-1.147218 1.147218 2.810696\n1.147218 -1.147218 2.810696\n1.147218 1.147218 -2.810696\nB H\n1 3\ndirect\n0.000000 0.000000 0.000000 B\n0.500001 0.500001 0.000000 H\n0.750001 0.250000 0.500001 H\n0.250000 0.750001 0.500001 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.552590192861718,
"density_atomic": 0.2703299844086138,
"volume": 14.796730776094197,
"volume_molar": 2.227699888036583,
"formula_full": "B1 H3",
"formula_reduced": "BH3",
"formula_anonymous": "AB3",
"formation_energy": 1.20697385586187,
"spacegroup": 139
},
{
"id": "oqmd-300994",
"created_at": "2022-09-04T14:49:46.804187Z",
"updated_at": "2022-09-04T14:49:46.804208Z",
"structure_string": "H3 C1\n1.0\n-1.216360 1.216360 2.501436\n1.216360 -1.216360 2.501436\n1.216360 1.216360 -2.501436\nC H\n1 3\ndirect\n0.000000 0.000000 0.000000 C\n0.500001 0.500001 0.000000 H\n0.750000 0.250000 0.500000 H\n0.250000 0.750000 0.500000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"H"
],
"chemical_system": "C-H",
"density": 1.6864171791338314,
"density_atomic": 0.27020062193766636,
"volume": 14.803814925795306,
"volume_molar": 2.228766431703207,
"formula_full": "H3 C1",
"formula_reduced": "H3C",
"formula_anonymous": "AB3",
"formation_energy": 1.80700337898687,
"spacegroup": 139
},
{
"id": "oqmd-1280339",
"created_at": "2022-09-04T15:42:17.713169Z",
"updated_at": "2022-09-04T15:42:17.713198Z",
"structure_string": "Be8\n1.0\n3.094545 0.000000 0.000000\n0.000000 3.094545 0.000000\n0.000000 0.000000 3.094545\nBe\n8\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.250000 0.000000 Be\n0.500000 0.750000 0.000000 Be\n0.000000 0.500000 0.250000 Be\n0.250000 0.000000 0.500000 Be\n0.750000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.500000 0.750000 Be\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 4.0399745637291495,
"density_atomic": 0.2699600995408683,
"volume": 29.63400892800793,
"volume_molar": 2.230752163094506,
"formula_full": "Be8",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.10562567125,
"spacegroup": 223
},
{
"id": "oqmd-1278456",
"created_at": "2022-09-04T15:42:16.054553Z",
"updated_at": "2022-09-04T15:42:16.054581Z",
"structure_string": "Na2 Pb1 F6\n1.0\n0.000000 2.557942 2.557942\n2.557942 0.000000 2.557942\n2.557942 2.557942 0.000000\nF Na Pb\n6 2 1\ndirect\n0.776178 0.223822 0.223822 F\n0.223822 0.776178 0.223822 F\n0.776178 0.776178 0.223822 F\n0.223822 0.223822 0.776178 F\n0.776178 0.223822 0.776178 F\n0.223822 0.776178 0.776178 F\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"F",
"Na",
"Pb"
],
"chemical_system": "F-Na-Pb",
"density": 18.21437035040905,
"density_atomic": 0.2688688163128114,
"volume": 33.47357318495829,
"volume_molar": 2.239806327333115,
"formula_full": "Na2 Pb1 F6",
"formula_reduced": "Na2PbF6",
"formula_anonymous": "AB2C6",
"formation_energy": -2.43211557849888,
"spacegroup": 225
},
{
"id": "oqmd-1215776",
"created_at": "2022-09-04T15:39:06.208305Z",
"updated_at": "2022-09-04T15:39:06.208341Z",
"structure_string": "H2\n1.0\n1.000409 -1.732759 -0.000000\n-1.000409 -1.732759 -0.000000\n0.000000 1.155173 -2.162059\nH\n2\ndirect\n0.166315 0.166315 0.498946 H\n0.833682 0.833682 0.501050 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.4465812483653632,
"density_atomic": 0.26681897130405857,
"volume": 7.49571887720406,
"volume_molar": 2.2570137087956,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"formation_energy": 0.559757925,
"spacegroup": 166
},
{
"id": "oqmd-345348",
"created_at": "2022-09-04T14:51:05.314178Z",
"updated_at": "2022-09-04T14:51:05.314205Z",
"structure_string": "H3 N1\n1.0\n2.473103 0.000000 0.000000\n0.000000 2.473103 0.000000\n0.000000 0.000000 2.473103\nH N\n3 1\ndirect\n0.499999 0.499999 0.000000 H\n0.499999 0.000000 0.499999 H\n0.000000 0.499999 0.499999 H\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 1.8696072922300286,
"density_atomic": 0.26444379346309027,
"volume": 15.126087655970265,
"volume_molar": 2.2772857253087846,
"formula_full": "H3 N1",
"formula_reduced": "H3N",
"formula_anonymous": "AB3",
"formation_energy": 1.70189350202599,
"spacegroup": 221
}
]
}