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&page=11",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=density&page=9",
"results": [
{
"id": "oqmd-24059",
"created_at": "2022-09-04T14:53:16.104390Z",
"updated_at": "2022-09-04T14:53:16.104417Z",
"structure_string": "Mg12 B24 H96\n1.0\n7.706668 7.706668 7.706668\n7.706668 -7.706668 -7.706668\n-7.706668 7.706668 -7.706668\nB H Mg\n24 96 12\ndirect\n0.129477 0.314739 0.064739 B\n0.435261 0.750001 0.064739 B\n0.814739 0.564738 0.129477 B\n0.935262 0.370523 0.185261 B\n0.750001 0.814739 0.185262 B\n0.685261 0.314738 0.250000 B\n0.064739 0.935262 0.250000 B\n0.629478 0.064739 0.314738 B\n0.185262 0.250000 0.314739 B\n0.435261 0.185262 0.370523 B\n0.250000 0.564739 0.435261 B\n0.685262 0.870523 0.435261 B\n0.314738 0.129477 0.564739 B\n0.750000 0.435261 0.564739 B\n0.564739 0.814739 0.629478 B\n0.814739 0.750000 0.685261 B\n0.370523 0.935261 0.685261 B\n0.935262 0.064739 0.750000 B\n0.314739 0.685262 0.750001 B\n0.250000 0.185261 0.814739 B\n0.064739 0.629478 0.814739 B\n0.185261 0.435261 0.870523 B\n0.564738 0.250000 0.935261 B\n0.870523 0.685261 0.935262 B\n0.580903 0.339564 0.019121 H\n0.938217 0.679557 0.019121 H\n0.349101 0.769528 0.046621 H\n0.197521 0.277093 0.046622 H\n0.820443 0.480879 0.061782 H\n0.741340 0.580904 0.061782 H\n0.849101 0.302480 0.079573 H\n0.730471 0.777093 0.079573 H\n0.061782 0.241339 0.080903 H\n0.519121 0.839564 0.080903 H\n0.197520 0.420427 0.150899 H\n0.453378 0.730471 0.150899 H\n0.679556 0.241339 0.160436 H\n0.980879 0.919096 0.160436 H\n0.019121 0.438217 0.179557 H\n0.660436 0.741339 0.179557 H\n0.920428 0.650899 0.197520 H\n0.777093 0.546621 0.197521 H\n0.953379 0.302480 0.222908 H\n0.769529 0.920428 0.222908 H\n0.579573 0.277093 0.230471 H\n0.150899 0.953379 0.230471 H\n0.179557 0.160436 0.241339 H\n0.561782 0.080903 0.241340 H\n0.919096 0.438217 0.258660 H\n0.839565 0.820443 0.258660 H\n0.046621 0.849101 0.269528 H\n0.722908 0.420428 0.269529 H\n0.697520 0.046621 0.277093 H\n0.079573 0.230471 0.277093 H\n0.349102 0.079573 0.302480 H\n0.453379 0.222908 0.302480 H\n0.258660 0.339564 0.320443 H\n0.561782 0.980879 0.320443 H\n0.080903 0.019121 0.339564 H\n0.758661 0.320443 0.339564 H\n0.269529 0.546621 0.349102 H\n0.579573 0.802480 0.349102 H\n0.160436 0.480878 0.419096 H\n0.758661 0.938217 0.419096 H\n0.697521 0.150899 0.420427 H\n0.222908 0.269529 0.420427 H\n0.419096 0.258660 0.438217 H\n0.519121 0.179557 0.438218 H\n0.230471 0.650899 0.453379 H\n0.722907 0.802480 0.453379 H\n0.320443 0.061782 0.480878 H\n0.660436 0.419096 0.480879 H\n0.339564 0.580903 0.519121 H\n0.679556 0.938217 0.519121 H\n0.277093 0.197520 0.546621 H\n0.769529 0.349102 0.546622 H\n0.580903 0.741339 0.561782 H\n0.480878 0.820443 0.561782 H\n0.302480 0.849101 0.579572 H\n0.777093 0.730471 0.579573 H\n0.241339 0.061782 0.580903 H\n0.839565 0.519121 0.580903 H\n0.730471 0.453379 0.650899 H\n0.420428 0.197521 0.650899 H\n0.241339 0.679556 0.660435 H\n0.919096 0.980879 0.660436 H\n0.741339 0.660436 0.679556 H\n0.438217 0.019121 0.679556 H\n0.546621 0.777093 0.697520 H\n0.650899 0.920428 0.697521 H\n0.920428 0.769529 0.722908 H\n0.302480 0.953379 0.722908 H\n0.953378 0.150899 0.730471 H\n0.277093 0.579573 0.730471 H\n0.160436 0.179557 0.741339 H\n0.080903 0.561782 0.741339 H\n0.820443 0.839565 0.758661 H\n0.438217 0.919096 0.758661 H\n0.420427 0.722907 0.769528 H\n0.849102 0.046622 0.769529 H\n0.230471 0.079573 0.777093 H\n0.046622 0.697520 0.777093 H\n0.079573 0.349101 0.802480 H\n0.222907 0.453378 0.802480 H\n0.339564 0.258660 0.820443 H\n0.980879 0.561782 0.820443 H\n0.320443 0.758661 0.839564 H\n0.019122 0.080904 0.839565 H\n0.546621 0.269529 0.849101 H\n0.802480 0.579573 0.849101 H\n0.938217 0.758661 0.919096 H\n0.480879 0.160436 0.919096 H\n0.150899 0.697520 0.920428 H\n0.269529 0.222908 0.920428 H\n0.258661 0.419096 0.938217 H\n0.179557 0.519121 0.938217 H\n0.650899 0.230471 0.953379 H\n0.802480 0.722908 0.953379 H\n0.419096 0.660436 0.980879 H\n0.061783 0.320443 0.980879 H\n0.749999 0.374999 0.125000 Mg\n0.875001 0.750001 0.125000 Mg\n0.125000 0.375000 0.250000 Mg\n0.625000 0.874999 0.250000 Mg\n0.250000 0.125000 0.375000 Mg\n0.625000 0.250000 0.375000 Mg\n0.375000 0.749999 0.625000 Mg\n0.749999 0.874999 0.625000 Mg\n0.374999 0.125000 0.749999 Mg\n0.874999 0.625000 0.749999 Mg\n0.125000 0.250000 0.874999 Mg\n0.250000 0.625000 0.874999 Mg\n",
"nsites": 132,
"nelements": 3,
"elements": [
"B",
"H",
"Mg"
],
"chemical_system": "B-H-Mg",
"density": 0.5876082870259586,
"density_atomic": 0.07209646803141104,
"volume": 1830.8802581353937,
"volume_molar": 8.352892900906422,
"formula_full": "Mg12 B24 H96",
"formula_reduced": "Mg(BH4)2",
"formula_anonymous": "AB2C8",
"formation_energy": -0.231019740300613,
"spacegroup": 230
},
{
"id": "oqmd-1214618",
"created_at": "2022-09-04T15:39:03.904161Z",
"updated_at": "2022-09-04T15:39:03.904181Z",
"structure_string": "H1\n1.0\n0.000000 -1.147441 0.832498\n-0.993712 0.573721 0.832498\n-0.993713 -0.573719 -0.832498\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.587744175208763,
"density_atomic": 0.3511596082306924,
"volume": 2.8477079269978436,
"volume_molar": 1.7149297979748817,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"formation_energy": 1.04097324,
"spacegroup": 221
},
{
"id": "oqmd-1237977",
"created_at": "2022-09-04T15:40:43.862360Z",
"updated_at": "2022-09-04T15:40:43.862383Z",
"structure_string": "Y2 Be4\n1.0\n4.744162 2.739043 7.747184\n-4.744162 2.739043 7.747184\n0.000000 -5.478086 7.747184\nBe Y\n4 2\ndirect\n0.375000 0.375000 0.375000 Be\n0.875002 0.375000 0.375000 Be\n0.375000 0.875002 0.375000 Be\n0.375000 0.375000 0.875002 Be\n0.250000 0.250000 0.250000 Y\n0.500001 0.500001 0.500001 Y\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Be",
"Y"
],
"chemical_system": "Be-Y",
"density": 0.5879305764299759,
"density_atomic": 0.009933396438146499,
"volume": 604.0230083799572,
"volume_molar": 60.62519297904603,
"formula_full": "Y2 Be4",
"formula_reduced": "YBe2",
"formula_anonymous": "AB2",
"formation_energy": 2.53869466666667,
"spacegroup": 227
},
{
"id": "oqmd-1236505",
"created_at": "2022-09-04T15:40:25.834283Z",
"updated_at": "2022-09-04T15:40:25.834308Z",
"structure_string": "K4 Cl2\n1.0\n4.838356 2.793426 7.901002\n-4.838356 2.793426 7.901002\n0.000000 -5.586852 7.901002\nCl K\n2 4\ndirect\n0.000000 0.000000 0.000000 Cl\n0.250000 0.250000 0.250000 Cl\n0.125000 0.125000 0.125000 K\n0.625000 0.125000 0.125000 K\n0.125000 0.625000 0.125000 K\n0.125000 0.125000 0.625000 K\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cl",
"K"
],
"chemical_system": "Cl-K",
"density": 0.5890858506297856,
"density_atomic": 0.009364462118941545,
"volume": 640.7201955426538,
"volume_molar": 64.30845342220977,
"formula_full": "K4 Cl2",
"formula_reduced": "K2Cl",
"formula_anonymous": "AB2",
"formation_energy": -1.15018396187304,
"spacegroup": 227
},
{
"id": "oqmd-1237190",
"created_at": "2022-09-04T15:40:41.349823Z",
"updated_at": "2022-09-04T15:40:41.349851Z",
"structure_string": "Na4 C2\n1.0\n3.860756 2.229008 6.304588\n-3.860756 2.229008 6.304588\n0.000000 -4.458017 6.304588\nC Na\n2 4\ndirect\n0.500000 0.500000 0.500000 C\n0.750000 0.750000 0.750000 C\n0.625000 0.625000 0.125000 Na\n0.625000 0.125000 0.625000 Na\n0.125000 0.625000 0.625000 Na\n0.625000 0.625000 0.625000 Na\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"Na"
],
"chemical_system": "C-Na",
"density": 0.5916188186246115,
"density_atomic": 0.01843143893726492,
"volume": 325.53074235941085,
"volume_molar": 32.67319920326111,
"formula_full": "Na4 C2",
"formula_reduced": "Na2C",
"formula_anonymous": "AB2",
"formation_energy": 1.69355349693223,
"spacegroup": 227
},
{
"id": "oqmd-1215330",
"created_at": "2022-09-04T15:16:18.725856Z",
"updated_at": "2022-09-04T15:16:18.725886Z",
"structure_string": "H2\n1.0\n1.826256 0.000000 0.000000\n-0.913129 1.581586 0.000000\n0.000000 0.000000 1.944377\nH\n2\ndirect\n0.333333 0.666666 0.250003 H\n0.666666 0.333330 0.750004 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.596044700065455,
"density_atomic": 0.3561189241707436,
"volume": 5.616101432006705,
"volume_molar": 1.6910476672990973,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"formation_energy": 1.06779557,
"spacegroup": 194
},
{
"id": "oqmd-1237031",
"created_at": "2022-09-04T15:40:42.432322Z",
"updated_at": "2022-09-04T15:40:42.432346Z",
"structure_string": "K4 Lu2\n1.0\n6.284287 3.628235 10.262197\n-6.284287 3.628235 10.262197\n0.000000 -7.256469 10.262197\nK Lu\n4 2\ndirect\n0.624999 0.624999 0.125001 K\n0.624999 0.624999 0.624999 K\n0.624999 0.125001 0.624999 K\n0.125001 0.624999 0.624999 K\n0.500000 0.500000 0.500000 Lu\n0.750000 0.750000 0.750000 Lu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"Lu"
],
"chemical_system": "K-Lu",
"density": 0.5988766476313068,
"density_atomic": 0.00427374172806713,
"volume": 1403.9219919622046,
"volume_molar": 140.9102641942664,
"formula_full": "K4 Lu2",
"formula_reduced": "K2Lu",
"formula_anonymous": "AB2",
"formation_energy": 1.50283144333333,
"spacegroup": 227
},
{
"id": "oqmd-1052499",
"created_at": "2022-09-04T15:41:20.329552Z",
"updated_at": "2022-09-04T15:41:20.329585Z",
"structure_string": "Be2 Zn2 Te2 O2\n1.0\n9.358200 0.000000 0.000000\n-0.000014 9.358200 0.000000\n-0.000003 -0.000003 13.798701\nBe O Te Zn\n2 2 2 2\ndirect\n0.000000 0.000000 0.051403 Be\n0.500000 0.500000 0.948384 Be\n0.500000 0.500000 0.047289 O\n0.000000 0.000000 0.952909 O\n0.500000 0.000000 0.500002 Te\n0.000000 0.500000 0.500002 Te\n0.000000 0.000000 0.222920 Zn\n0.500000 0.500000 0.777088 Zn\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Be",
"O",
"Te",
"Zn"
],
"chemical_system": "Be-O-Te-Zn",
"density": 0.5991750745044208,
"density_atomic": 0.006620139450496589,
"volume": 1208.4337588084952,
"volume_molar": 90.96697743350809,
"formula_full": "Be2 Zn2 Te2 O2",
"formula_reduced": "BeZnTeO",
"formula_anonymous": "ABCD",
"formation_energy": 0.996971596446979,
"spacegroup": 129
},
{
"id": "oqmd-1238018",
"created_at": "2022-09-04T15:40:44.687087Z",
"updated_at": "2022-09-04T15:40:44.687114Z",
"structure_string": "Al4 S2\n1.0\n4.374177 2.525432 7.143001\n-4.374177 2.525432 7.143001\n0.000000 -5.050865 7.143001\nAl S\n4 2\ndirect\n0.375000 0.375000 0.375000 Al\n0.874999 0.375000 0.375000 Al\n0.375000 0.874999 0.375000 Al\n0.375000 0.375000 0.874999 Al\n0.250000 0.250000 0.250000 S\n0.499999 0.499999 0.499999 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"S"
],
"chemical_system": "Al-S",
"density": 0.6034694076669411,
"density_atomic": 0.012673226591353028,
"volume": 473.43902176370887,
"volume_molar": 47.518607172295965,
"formula_full": "Al4 S2",
"formula_reduced": "Al2S",
"formula_anonymous": "AB2",
"formation_energy": 0.869288516995548,
"spacegroup": 227
},
{
"id": "oqmd-1215777",
"created_at": "2022-09-04T15:39:06.239297Z",
"updated_at": "2022-09-04T15:39:06.239324Z",
"structure_string": "He2\n1.0\n1.494679 -2.588859 -0.000000\n-1.494680 -2.588859 -0.000000\n-0.000000 1.725907 -2.830963\nHe\n2\ndirect\n0.750540 0.750540 0.251621 He\n0.249459 0.249459 0.748378 He\n",
"nsites": 2,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.6067374983052808,
"density_atomic": 0.09128708326302135,
"volume": 21.90890461728841,
"volume_molar": 6.5969253751362364,
"formula_full": "He2",
"formula_reduced": "He",
"formula_anonymous": "A",
"formation_energy": 0.01011354,
"spacegroup": 166
},
{
"id": "oqmd-878940",
"created_at": "2022-09-04T15:43:57.647397Z",
"updated_at": "2022-09-04T15:43:57.647418Z",
"structure_string": "Ca1 La1 Tm1\n1.0\n0.000000 7.802890 7.802890\n7.802890 0.000000 7.802890\n7.802890 7.802890 0.000000\nCa La Tm\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 Tm\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"La",
"Tm"
],
"chemical_system": "Ca-La-Tm",
"density": 0.6080357948721532,
"density_atomic": 0.003157365108698118,
"volume": 950.159356526555,
"volume_molar": 190.73311298113128,
"formula_full": "Ca1 La1 Tm1",
"formula_reduced": "CaLaTm",
"formula_anonymous": "ABC",
"formation_energy": 3.43531602,
"spacegroup": 216
},
{
"id": "oqmd-1236565",
"created_at": "2022-09-04T15:40:27.274460Z",
"updated_at": "2022-09-04T15:40:27.274488Z",
"structure_string": "Li2 Al4\n1.0\n3.877544 2.238701 6.365942\n-3.877544 2.238701 6.365942\n0.000000 -4.477402 6.365942\nAl Li\n4 2\ndirect\n0.625001 0.625001 0.124999 Al\n0.625001 0.625001 0.625001 Al\n0.625001 0.124999 0.625001 Al\n0.124999 0.625001 0.625001 Al\n0.500142 0.500142 0.500142 Li\n0.749858 0.749858 0.749858 Li\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"Li"
],
"chemical_system": "Al-Li",
"density": 0.6100405510418072,
"density_atomic": 0.018096079463878475,
"volume": 331.56353076237207,
"volume_molar": 33.278704218893246,
"formula_full": "Li2 Al4",
"formula_reduced": "LiAl2",
"formula_anonymous": "AB2",
"formation_energy": 1.446034145,
"spacegroup": 227
}
]
}