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=volume_molar&page=29",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=volume_molar&page=27",
"results": [
{
"id": "oqmd-610562",
"created_at": "2022-09-04T15:15:51.217452Z",
"updated_at": "2022-09-04T15:15:51.217482Z",
"structure_string": "C4\n1.0\n2.505935 0.000000 0.000000\n-1.252967 2.170156 0.000000\n0.000000 0.000000 4.168563\nC\n4\ndirect\n0.333342 0.666685 0.062770 C\n0.333342 0.666685 0.437230 C\n0.666659 0.333317 0.562769 C\n0.666659 0.333317 0.937229 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.519089262827983,
"density_atomic": 0.1764464260624144,
"volume": 22.669770588524585,
"volume_molar": 3.4130137370250773,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.152662315000001,
"spacegroup": 194
},
{
"id": "oqmd-599489",
"created_at": "2022-09-04T15:15:50.958104Z",
"updated_at": "2022-09-04T15:15:50.958127Z",
"structure_string": "C4\n1.0\n2.505985 0.000000 0.000000\n-1.252992 2.170201 0.000000\n0.000000 0.000000 4.168595\nC\n4\ndirect\n0.333342 0.666685 0.062750 C\n0.333342 0.666685 0.437250 C\n0.666656 0.333315 0.562751 C\n0.666656 0.333315 0.937249 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5189190678394344,
"density_atomic": 0.17643789252000605,
"volume": 22.670867027877502,
"volume_molar": 3.413178809828029,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.152655687499999,
"spacegroup": 194
},
{
"id": "oqmd-1218548",
"created_at": "2022-09-04T15:39:11.982312Z",
"updated_at": "2022-09-04T15:39:11.982327Z",
"structure_string": "B1 H1\n1.0\n0.000000 1.782958 1.782958\n1.782958 0.000000 1.782958\n1.782958 1.782958 0.000000\nB H\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.731307821432711,
"density_atomic": 0.1764317172802264,
"volume": 11.335830262443125,
"volume_molar": 3.413298273595012,
"formula_full": "B1 H1",
"formula_reduced": "BH",
"formula_anonymous": "AB",
"formation_energy": 1.63611940890791,
"spacegroup": 216
},
{
"id": "oqmd-1281006",
"created_at": "2022-09-04T15:42:18.405553Z",
"updated_at": "2022-09-04T15:42:18.405571Z",
"structure_string": "Ti4 H8\n1.0\n2.886403 1.666465 2.356738\n-2.886403 1.666465 2.356738\n0.000000 -3.332931 2.356738\nH Ti\n8 4\ndirect\n0.856398 0.356398 0.143601 H\n0.643603 0.856398 0.143601 H\n0.356398 0.356398 0.356398 H\n0.143601 0.856398 0.356398 H\n0.856398 0.143601 0.643603 H\n0.643603 0.643603 0.643603 H\n0.356398 0.143601 0.856398 H\n0.143601 0.643603 0.856398 H\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.000000 Ti\n0.499999 0.000000 0.499999 Ti\n0.000000 0.499999 0.499999 Ti\n",
"nsites": 12,
"nelements": 2,
"elements": [
"H",
"Ti"
],
"chemical_system": "H-Ti",
"density": 4.871299171967561,
"density_atomic": 0.17642715882361565,
"volume": 68.01673891941483,
"volume_molar": 3.4133864650740535,
"formula_full": "Ti4 H8",
"formula_reduced": "TiH2",
"formula_anonymous": "AB2",
"formation_energy": -0.491335038551538,
"spacegroup": 205
},
{
"id": "oqmd-1745531",
"created_at": "2022-09-04T16:02:47.437663Z",
"updated_at": "2022-09-04T16:02:47.437691Z",
"structure_string": "Cr4 H8\n1.0\n4.073702 0.000000 0.000000\n0.000000 4.092277 0.000000\n0.000000 0.000000 4.082105\nCr H\n4 8\ndirect\n0.500000 0.249649 0.250000 Cr\n0.000000 0.749649 0.250000 Cr\n0.000000 0.250351 0.750000 Cr\n0.500000 0.750351 0.750000 Cr\n0.750367 0.000000 0.000173 H\n0.749633 0.499999 0.000173 H\n0.249633 0.000000 0.499827 H\n0.250367 0.499999 0.499827 H\n0.750367 0.000000 0.500173 H\n0.749633 0.500001 0.500173 H\n0.249633 0.000000 0.999827 H\n0.250367 0.500001 0.999827 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 5.271821979974259,
"density_atomic": 0.17633673512453088,
"volume": 68.05161721705618,
"volume_molar": 3.4151368152229313,
"formula_full": "Cr4 H8",
"formula_reduced": "CrH2",
"formula_anonymous": "AB2",
"formation_energy": 0.0687226752105504,
"spacegroup": 225
},
{
"id": "oqmd-1367924",
"created_at": "2022-09-04T15:46:57.831731Z",
"updated_at": "2022-09-04T15:46:57.831753Z",
"structure_string": "Cr1 H2\n1.0\n-1.443087 1.443087 2.043805\n1.443087 -1.443087 2.043805\n1.443087 1.443087 -2.043805\nCr H\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750000 0.249999 0.500001 H\n0.249999 0.750000 0.500001 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 5.26810858878098,
"density_atomic": 0.1762125262112272,
"volume": 17.02489638224628,
"volume_molar": 3.417544081276729,
"formula_full": "Cr1 H2",
"formula_reduced": "CrH2",
"formula_anonymous": "AB2",
"formation_energy": 0.0685846718772171,
"spacegroup": 225
},
{
"id": "oqmd-1715389",
"created_at": "2022-09-04T16:00:38.930639Z",
"updated_at": "2022-09-04T16:00:38.930669Z",
"structure_string": "Mn1 Fe2 H6\n1.0\n0.000000 2.945610 2.945610\n2.945610 0.000000 2.945610\n2.945610 2.945610 0.000000\nFe H Mn\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.725274 0.274726 0.274726 H\n0.274726 0.725274 0.274726 H\n0.725274 0.725274 0.274726 H\n0.274726 0.274726 0.725274 H\n0.725274 0.274726 0.725274 H\n0.274726 0.725274 0.725274 H\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"H",
"Mn"
],
"chemical_system": "Fe-H-Mn",
"density": 5.609505170879966,
"density_atomic": 0.1760705728209213,
"volume": 51.115867096960955,
"volume_molar": 3.420299408081683,
"formula_full": "Mn1 Fe2 H6",
"formula_reduced": "Mn(FeH3)2",
"formula_anonymous": "AB2C6",
"formation_energy": 0.2376574603446499,
"spacegroup": 225
},
{
"id": "oqmd-311093",
"created_at": "2022-09-04T15:15:54.724384Z",
"updated_at": "2022-09-04T15:15:54.724402Z",
"structure_string": "Re1 H3\n1.0\n0.000000 2.248162 2.248162\n2.248162 0.000000 2.248162\n2.248162 2.248162 0.000000\nH Re\n3 1\ndirect\n0.000000 0.000000 0.000000 H\n0.250000 0.250000 0.250000 H\n0.500000 0.500000 0.500000 H\n0.749999 0.749999 0.749999 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Re"
],
"chemical_system": "H-Re",
"density": 13.827006427942234,
"density_atomic": 0.1760139897449446,
"volume": 22.72546634387558,
"volume_molar": 3.421398928986533,
"formula_full": "Re1 H3",
"formula_reduced": "ReH3",
"formula_anonymous": "AB3",
"formation_energy": 0.891679387111869,
"spacegroup": 225
},
{
"id": "oqmd-22997",
"created_at": "2022-09-04T14:49:19.224891Z",
"updated_at": "2022-09-04T14:49:19.224926Z",
"structure_string": "H2 C4 N6\n1.0\n0.000000 0.000000 4.022641\n3.799463 -2.231079 0.000000\n3.799463 2.231079 0.000000\nC H N\n4 2 6\ndirect\n0.998971 0.331738 0.009181 C\n0.498971 0.009181 0.331738 C\n0.998971 0.990818 0.668261 C\n0.498971 0.668261 0.990818 C\n0.198606 0.599407 0.400593 H\n0.698606 0.400593 0.599407 H\n0.357961 0.332463 0.060935 N\n0.423530 0.713681 0.286318 N\n0.857964 0.060935 0.332463 N\n0.357961 0.939066 0.667538 N\n0.923530 0.286318 0.713681 N\n0.857964 0.667538 0.939066 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"C",
"H",
"N"
],
"chemical_system": "C-H-N",
"density": 3.2650949003930756,
"density_atomic": 0.1759554838195846,
"volume": 68.19906796598714,
"volume_molar": 3.422536558266512,
"formula_full": "H2 C4 N6",
"formula_reduced": "HC2N3",
"formula_anonymous": "AB2C3",
"formation_energy": 0.171544912797553,
"spacegroup": 36
},
{
"id": "oqmd-1444376",
"created_at": "2022-09-04T15:50:47.674484Z",
"updated_at": "2022-09-04T15:50:47.674515Z",
"structure_string": "Ge8 O16\n1.0\n-4.860827 4.860827 1.445519\n4.860827 -4.860827 1.445519\n4.860827 4.860827 -1.445519\nGe O\n8 16\ndirect\n0.829979 0.350607 0.180586 Ge\n0.350607 0.829979 0.180586 Ge\n0.829979 0.649393 0.479372 Ge\n0.649393 0.829979 0.479372 Ge\n0.350607 0.170021 0.520628 Ge\n0.170021 0.350607 0.520628 Ge\n0.649393 0.170021 0.819414 Ge\n0.170021 0.649393 0.819414 Ge\n0.847588 0.201800 0.049388 O\n0.201800 0.847588 0.049388 O\n0.837857 0.457264 0.295122 O\n0.457264 0.837857 0.295122 O\n0.201800 0.152412 0.354212 O\n0.152412 0.201800 0.354212 O\n0.837857 0.542736 0.380593 O\n0.542736 0.837857 0.380593 O\n0.457264 0.162143 0.619407 O\n0.162143 0.457264 0.619407 O\n0.847588 0.798200 0.645788 O\n0.798200 0.847588 0.645788 O\n0.542736 0.162143 0.704878 O\n0.162143 0.542736 0.704878 O\n0.798200 0.152412 0.950612 O\n0.152412 0.798200 0.950612 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ge",
"O"
],
"chemical_system": "Ge-O",
"density": 10.174842846644772,
"density_atomic": 0.17567384905374206,
"volume": 136.6168051151309,
"volume_molar": 3.4280234607700257,
"formula_full": "Ge8 O16",
"formula_reduced": "GeO2",
"formula_anonymous": "AB2",
"formation_energy": -1.8576933005858365,
"spacegroup": 139
},
{
"id": "oqmd-302690",
"created_at": "2022-09-04T14:49:49.799770Z",
"updated_at": "2022-09-04T14:49:49.799792Z",
"structure_string": "H3 Rh1\n1.0\n-1.400409 1.400409 2.902766\n1.400409 -1.400409 2.902766\n1.400409 1.400409 -2.902766\nH Rh\n3 1\ndirect\n0.499999 0.499999 0.000000 H\n0.749998 0.250001 0.499997 H\n0.250001 0.749998 0.499997 H\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Rh"
],
"chemical_system": "H-Rh",
"density": 7.7247329881996984,
"density_atomic": 0.17566214681423473,
"volume": 22.7709843728032,
"volume_molar": 3.42825182841953,
"formula_full": "H3 Rh1",
"formula_reduced": "H3Rh",
"formula_anonymous": "AB3",
"formation_energy": 0.351469780861868,
"spacegroup": 139
},
{
"id": "oqmd-301050",
"created_at": "2022-09-04T14:49:46.930110Z",
"updated_at": "2022-09-04T14:49:46.930127Z",
"structure_string": "P1 H3\n1.0\n-1.420556 1.420556 2.821054\n1.420556 -1.420556 2.821054\n1.420556 1.420556 -2.821054\nH P\n3 1\ndirect\n0.500001 0.500001 0.000000 H\n0.749997 0.249999 0.499998 H\n0.249999 0.749997 0.499998 H\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"P"
],
"chemical_system": "H-P",
"density": 2.479185476553768,
"density_atomic": 0.1756595973809427,
"volume": 22.77131485919004,
"volume_molar": 3.42830158430805,
"formula_full": "P1 H3",
"formula_reduced": "PH3",
"formula_anonymous": "AB3",
"formation_energy": 0.914656548621885,
"spacegroup": 139
}
]
}