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=formation_energy&page=65",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=63",
"results": [
{
"id": "oqmd-646479",
"created_at": "2022-09-04T15:16:10.046394Z",
"updated_at": "2022-09-04T15:16:10.046427Z",
"structure_string": "Ba2 Mg2 F8\n1.0\n4.083540 0.000000 0.000000\n0.000000 0.000000 5.739369\n2.041770 -7.077675 0.000000\nBa F Mg\n2 8 2\ndirect\n0.357040 0.339802 0.285920 Ba\n0.642960 0.839803 0.714081 Ba\n0.979517 0.512420 0.040967 F\n0.420939 0.809652 0.158121 F\n0.826721 0.072775 0.346557 F\n0.802396 0.603737 0.395209 F\n0.197604 0.103738 0.604792 F\n0.173279 0.572776 0.653442 F\n0.579060 0.309651 0.841880 F\n0.020483 0.012419 0.959034 F\n0.910867 0.812135 0.178266 Mg\n0.089133 0.312134 0.821733 Mg\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"F",
"Mg"
],
"chemical_system": "Ba-F-Mg",
"density": 4.757521558150468,
"density_atomic": 0.07234185952656103,
"volume": 165.87906474251028,
"volume_molar": 8.324558975137917,
"formula_full": "Ba2 Mg2 F8",
"formula_reduced": "BaMgF4",
"formula_anonymous": "ABC4",
"formation_energy": -3.97010821428185,
"spacegroup": 36
},
{
"id": "oqmd-1287084",
"created_at": "2022-09-04T15:42:51.564999Z",
"updated_at": "2022-09-04T15:42:51.565029Z",
"structure_string": "Nd2 O2 F2\n1.0\n4.021000 0.000000 0.000000\n0.000000 4.021000 0.000000\n0.000000 0.000000 5.695000\nF Nd O\n2 2 2\ndirect\n0.500000 0.000000 0.351500 F\n0.000000 0.500000 0.648500 F\n0.000000 0.500000 0.231000 Nd\n0.500000 0.000000 0.769000 Nd\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"Nd",
"O"
],
"chemical_system": "F-Nd-O",
"density": 6.464749137800414,
"density_atomic": 0.06516124533333006,
"volume": 92.07927149499999,
"volume_molar": 9.241905567019092,
"formula_full": "Nd2 O2 F2",
"formula_reduced": "NdOF",
"formula_anonymous": "ABC",
"formation_energy": -3.96972690666995,
"spacegroup": 129
},
{
"id": "oqmd-1387263",
"created_at": "2022-09-04T15:47:42.939318Z",
"updated_at": "2022-09-04T15:47:42.939343Z",
"structure_string": "Na1 Sc2 F7\n1.0\n3.208330 -5.107418 0.000000\n3.208330 5.107418 0.000000\n0.000000 0.000000 3.948308\nF Na Sc\n7 1 2\ndirect\n0.710490 0.289510 0.000000 F\n0.289510 0.710490 0.000000 F\n0.324037 0.049883 0.499999 F\n0.049883 0.324037 0.499999 F\n0.500000 0.500000 0.499999 F\n0.950117 0.675963 0.499999 F\n0.675963 0.950117 0.499999 F\n0.000000 0.000000 0.000000 Na\n0.695133 0.304867 0.499999 Sc\n0.304867 0.695133 0.499999 Sc\n",
"nsites": 10,
"nelements": 3,
"elements": [
"F",
"Na",
"Sc"
],
"chemical_system": "F-Na-Sc",
"density": 3.1555076991691067,
"density_atomic": 0.07728203430652356,
"volume": 129.39617971671169,
"volume_molar": 7.792420080602947,
"formula_full": "Na1 Sc2 F7",
"formula_reduced": "NaSc2F7",
"formula_anonymous": "AB2C7",
"formation_energy": -3.96966344947694,
"spacegroup": 65
},
{
"id": "oqmd-1712634",
"created_at": "2022-09-04T16:00:28.590943Z",
"updated_at": "2022-09-04T16:00:28.590965Z",
"structure_string": "Er1 Zr1 F6\n1.0\n0.000000 4.180901 4.180901\n4.180901 0.000000 4.180901\n4.180901 4.180901 0.000000\nEr F Zr\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.748549 0.251451 0.251451 F\n0.251451 0.748549 0.251451 F\n0.748549 0.748549 0.251451 F\n0.251451 0.251451 0.748549 F\n0.748549 0.251451 0.748549 F\n0.251451 0.748549 0.748549 F\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Er",
"F",
"Zr"
],
"chemical_system": "Er-F-Zr",
"density": 4.231601238393733,
"density_atomic": 0.054733136901606555,
"volume": 146.163740155832,
"volume_molar": 11.002732715331057,
"formula_full": "Er1 Zr1 F6",
"formula_reduced": "ErZrF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.9696480280983297,
"spacegroup": 225
},
{
"id": "oqmd-646690",
"created_at": "2022-09-04T15:16:04.028082Z",
"updated_at": "2022-09-04T15:16:04.028103Z",
"structure_string": "Ca1 F2\n1.0\n3.650984 0.000000 0.000000\n0.000000 3.650984 0.000000\n0.000000 0.000000 2.917232\nCa F\n1 2\ndirect\n0.000000 0.000000 0.500001 Ca\n0.499999 0.000000 0.000000 F\n0.000000 0.499999 0.000000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"F"
],
"chemical_system": "Ca-F",
"density": 3.3340275577643594,
"density_atomic": 0.0771490222645542,
"volume": 38.88578120552978,
"volume_molar": 7.805854932742094,
"formula_full": "Ca1 F2",
"formula_reduced": "CaF2",
"formula_anonymous": "AB2",
"formation_energy": -3.9693122760874,
"spacegroup": 123
},
{
"id": "oqmd-1366416",
"created_at": "2022-09-04T15:50:07.117332Z",
"updated_at": "2022-09-04T15:50:07.117351Z",
"structure_string": "Li2 Pr2 F8\n1.0\n-2.589848 2.589848 5.621476\n2.589848 -2.589848 5.621476\n2.589848 2.589848 -5.621476\nF Li Pr\n8 2 2\ndirect\n0.017796 0.399884 0.078051 F\n0.689746 0.267796 0.117912 F\n0.060254 0.982203 0.382088 F\n0.732203 0.850116 0.421949 F\n0.428167 0.310255 0.578051 F\n0.600116 0.678166 0.617913 F\n0.149884 0.571833 0.882088 F\n0.321833 0.939746 0.921950 F\n0.500000 0.500000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500000 Pr\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"Li",
"Pr"
],
"chemical_system": "F-Li-Pr",
"density": 4.929039253827792,
"density_atomic": 0.07956505041649607,
"volume": 150.81998864054088,
"volume_molar": 7.568826675124485,
"formula_full": "Li2 Pr2 F8",
"formula_reduced": "LiPrF4",
"formula_anonymous": "ABC4",
"formation_energy": -3.96897725900407,
"spacegroup": 88
},
{
"id": "oqmd-1709961",
"created_at": "2022-09-04T16:00:13.128691Z",
"updated_at": "2022-09-04T16:00:13.128712Z",
"structure_string": "Mg1 Zr1 F6\n1.0\n0.000000 3.943565 3.943565\n3.943565 0.000000 3.943565\n3.943565 3.943565 0.000000\nF Mg Zr\n6 1 1\ndirect\n0.244910 0.755090 0.244910 F\n0.755090 0.755090 0.244910 F\n0.755090 0.244910 0.244910 F\n0.244910 0.244910 0.755090 F\n0.755090 0.244910 0.755090 F\n0.244910 0.755090 0.755090 F\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"Mg",
"Zr"
],
"chemical_system": "F-Mg-Zr",
"density": 3.107216593874429,
"density_atomic": 0.0652218301067784,
"volume": 122.65831834069577,
"volume_molar": 9.233320730406994,
"formula_full": "Mg1 Zr1 F6",
"formula_reduced": "MgZrF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.968590615494163,
"spacegroup": 225
},
{
"id": "oqmd-1440188",
"created_at": "2022-09-04T15:50:36.532762Z",
"updated_at": "2022-09-04T15:50:36.532777Z",
"structure_string": "Ba2 F4\n1.0\n4.376291 0.000000 0.000000\n-2.188146 3.789979 0.000000\n0.000000 0.000000 5.685414\nBa F\n2 4\ndirect\n0.333333 0.666666 0.249999 Ba\n0.666668 0.333334 0.750000 Ba\n0.000000 0.000000 0.000000 F\n0.666668 0.333334 0.249999 F\n0.000000 0.000000 0.500000 F\n0.333333 0.666666 0.750000 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"F"
],
"chemical_system": "Ba-F",
"density": 6.174686226204823,
"density_atomic": 0.0636276904650108,
"volume": 94.29856649125796,
"volume_molar": 9.464654014609579,
"formula_full": "Ba2 F4",
"formula_reduced": "BaF2",
"formula_anonymous": "AB2",
"formation_energy": -3.9679826310874,
"spacegroup": 194
},
{
"id": "oqmd-1729676",
"created_at": "2022-09-04T16:01:44.156078Z",
"updated_at": "2022-09-04T16:01:44.156092Z",
"structure_string": "Ce1 Al1 F6\n1.0\n4.854398 0.000000 0.000000\n-2.425016 4.228519 0.000000\n-2.419998 -1.395257 4.553959\nAl Ce F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ce\n0.409112 0.401585 0.225815 F\n0.822673 0.007789 0.226403 F\n0.218658 0.816327 0.226748 F\n0.781342 0.183673 0.773252 F\n0.177327 0.992211 0.773597 F\n0.590888 0.598415 0.774185 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Ce",
"F"
],
"chemical_system": "Al-Ce-F",
"density": 4.993195321166276,
"density_atomic": 0.0855809699198097,
"volume": 93.47872555658212,
"volume_molar": 7.0367755420893365,
"formula_full": "Ce1 Al1 F6",
"formula_reduced": "CeAlF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.96765484028583,
"spacegroup": 148
},
{
"id": "oqmd-1736702",
"created_at": "2022-09-04T16:02:16.275204Z",
"updated_at": "2022-09-04T16:02:16.275231Z",
"structure_string": "Sr1 Zr1 F6\n1.0\n3.542346 2.045174 2.357205\n-3.542346 2.045174 2.357205\n0.000000 -4.090349 2.357205\nF Sr Zr\n6 1 1\ndirect\n0.694884 0.694884 0.075269 F\n0.924731 0.305116 0.305116 F\n0.305116 0.924731 0.305116 F\n0.694884 0.075269 0.694884 F\n0.075269 0.694884 0.694884 F\n0.305116 0.305116 0.924731 F\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"Sr",
"Zr"
],
"chemical_system": "F-Sr-Zr",
"density": 4.7457111640428415,
"density_atomic": 0.07807645214417705,
"volume": 102.46367221229636,
"volume_molar": 7.713133210611866,
"formula_full": "Sr1 Zr1 F6",
"formula_reduced": "SrZrF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.967619566848329,
"spacegroup": 166
},
{
"id": "oqmd-346258",
"created_at": "2022-09-04T14:51:07.916992Z",
"updated_at": "2022-09-04T14:51:07.917021Z",
"structure_string": "Dy1 F3\n1.0\n3.441332 0.000000 0.000000\n0.000000 3.441332 0.000000\n0.000000 0.000000 3.441332\nDy F\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500001 0.500001 0.000000 F\n0.500001 0.000000 0.500001 F\n0.000000 0.500001 0.500001 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"F"
],
"chemical_system": "Dy-F",
"density": 8.943230518729104,
"density_atomic": 0.09814773297271348,
"volume": 40.75488937795495,
"volume_molar": 6.135792012306839,
"formula_full": "Dy1 F3",
"formula_reduced": "DyF3",
"formula_anonymous": "AB3",
"formation_energy": -3.967577948515,
"spacegroup": 221
},
{
"id": "oqmd-1287089",
"created_at": "2022-09-04T15:42:50.678428Z",
"updated_at": "2022-09-04T15:42:50.678465Z",
"structure_string": "Nd2 O2 F2\n1.0\n4.021000 0.000000 0.000000\n0.000000 4.021000 0.000000\n0.000000 0.000000 5.695000\nF Nd O\n2 2 2\ndirect\n0.500000 0.000000 0.367240 F\n0.000000 0.500000 0.632760 F\n0.000000 0.500000 0.171800 Nd\n0.500000 0.000000 0.828200 Nd\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"Nd",
"O"
],
"chemical_system": "F-Nd-O",
"density": 6.464749137800414,
"density_atomic": 0.06516124533333006,
"volume": 92.07927149499999,
"volume_molar": 9.241905567019092,
"formula_full": "Nd2 O2 F2",
"formula_reduced": "NdOF",
"formula_anonymous": "ABC",
"formation_energy": -3.96670389833662,
"spacegroup": 129
}
]
}