HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=7",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=5",
"results": [
{
"id": "mp-9",
"created_at": "2022-09-04T14:39:20.088274Z",
"structure_string": "Y1\n1.0\n0.000000 2.531321 2.531321\n2.531321 0.000000 2.531321\n2.531321 2.531321 0.000000\nY\n1\ndirect\n0.000000 0.000000 0.000000 Y\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.551009834796982,
"density_atomic": 0.03082679242677842,
"volume": 32.439314027732784,
"volume_molar": 19.53541152328494,
"formula_full": "Y1",
"formula_reduced": "Y",
"formula_anonymous": "A",
"energy": -6.44250777,
"energy_per_atom": -6.44250777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.44250777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027099,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.668000Z",
"spacegroup": 225
},
{
"id": "mp-1187739",
"created_at": "2022-09-04T14:42:59.920006Z",
"structure_string": "Y3\n1.0\n8.730412 -1.800983 0.000000\n8.730412 1.800983 0.000000\n8.358890 0.000000 3.097191\nY\n3\ndirect\n0.000000 0.000000 0.000000 Y\n0.221823 0.221823 0.221823 Y\n0.778177 0.778177 0.778177 Y\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.547349702821745,
"density_atomic": 0.030802000098756506,
"volume": 97.39627265701851,
"volume_molar": 19.551135447996824,
"formula_full": "Y3",
"formula_reduced": "Y",
"formula_anonymous": "A",
"energy": -19.39941334,
"energy_per_atom": -6.466471113333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.39941334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0103771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.857000Z",
"spacegroup": 166
},
{
"id": "mp-1187717",
"created_at": "2022-09-04T14:42:25.805838Z",
"structure_string": "Y4\n1.0\n1.794548 -3.108248 0.000000\n1.794548 3.108248 0.000000\n0.000000 0.000000 11.595924\nY\n4\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.250000 Y\n0.000000 0.000000 0.500000 Y\n0.666667 0.333333 0.750000 Y\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.5649216634867065,
"density_atomic": 0.030921025810326838,
"volume": 129.36181433748234,
"volume_molar": 19.47587637273262,
"formula_full": "Y4",
"formula_reduced": "Y",
"formula_anonymous": "A",
"energy": -25.83815292,
"energy_per_atom": -6.45953823,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.83815292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0325619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.798000Z",
"spacegroup": 194
},
{
"id": "mp-112",
"created_at": "2022-09-04T14:44:20.558165Z",
"structure_string": "Y2\n1.0\n1.829494 -3.168776 0.000000\n1.829494 3.168776 0.000000\n0.000000 0.000000 5.665965\nY\n2\ndirect\n0.333333 0.666667 0.250000 Y\n0.666667 0.333333 0.750000 Y\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.494516911194183,
"density_atomic": 0.03044413106310264,
"volume": 65.69410688235865,
"volume_molar": 19.78095793740243,
"formula_full": "Y2",
"formula_reduced": "Y",
"formula_anonymous": "A",
"energy": -12.92584295,
"energy_per_atom": -6.462921475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.92584295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7334585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.344000Z",
"spacegroup": 194
},
{
"id": "mp-979286",
"created_at": "2022-09-04T14:46:00.044267Z",
"structure_string": "Xe1\n1.0\n3.564170 -3.059918 0.000000\n3.564170 3.059918 0.000000\n0.937162 0.000000 4.603057\nXe\n1\ndirect\n0.500000 0.500000 0.500000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.17143144245685,
"density_atomic": 0.009959910887620821,
"volume": 100.40250472952529,
"volume_molar": 60.4638016137767,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03016646,
"energy_per_atom": -0.03016646,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03016646,
"band_gap": 6.1713000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.249000Z",
"spacegroup": 166
},
{
"id": "mp-570510",
"created_at": "2022-09-04T14:40:27.056173Z",
"structure_string": "Xe2\n1.0\n2.472063 -4.281739 0.000000\n2.472063 4.281739 0.000000\n0.000000 0.000000 7.889846\nXe\n2\ndirect\n0.333333 0.666667 0.250000 Xe\n0.666667 0.333333 0.750000 Xe\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.6106125282421346,
"density_atomic": 0.011974344496908911,
"volume": 167.02375654185374,
"volume_molar": 50.292028607950705,
"formula_full": "Xe2",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.07203278,
"energy_per_atom": -0.03601639,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.07203278,
"band_gap": 6.2167,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.218000Z",
"spacegroup": 194
},
{
"id": "mp-979285",
"created_at": "2022-09-04T14:44:54.025207Z",
"structure_string": "Xe1\n1.0\n-2.947942 2.947942 2.947942\n2.947942 -2.947942 2.947942\n2.947942 2.947942 -2.947942\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.127521091102082,
"density_atomic": 0.00975850310748719,
"volume": 102.47473295702005,
"volume_molar": 61.71172662105858,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03423668,
"energy_per_atom": -0.03423668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03423668,
"band_gap": 6.236800000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.647000Z",
"spacegroup": 229
},
{
"id": "mp-1187769",
"created_at": "2022-09-04T14:42:17.607817Z",
"structure_string": "Xe3\n1.0\n11.759570 -2.415816 0.000000\n11.759570 2.415816 0.000000\n11.263279 0.000000 4.154780\nXe\n3\ndirect\n0.000000 0.000000 0.000000 Xe\n0.222295 0.222295 0.222295 Xe\n0.777705 0.777705 0.777705 Xe\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.7706304386431087,
"density_atomic": 0.012708313848579412,
"volume": 236.06593571304916,
"volume_molar": 47.387409783503095,
"formula_full": "Xe3",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.1020993,
"energy_per_atom": -0.034033100000000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.1020993,
"band_gap": 6.2294,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0023449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.185000Z",
"spacegroup": 166
},
{
"id": "mp-1187761",
"created_at": "2022-09-04T14:45:12.740042Z",
"structure_string": "Xe4\n1.0\n2.418309 -4.188633 0.000000\n2.418309 4.188633 0.000000\n0.000000 0.000000 15.642784\nXe\n4\ndirect\n0.000000 0.000000 0.000000 Xe\n0.333333 0.666667 0.250000 Xe\n0.000000 0.000000 0.500000 Xe\n0.666667 0.333333 0.750000 Xe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.7518357881595743,
"density_atomic": 0.012622106639675694,
"volume": 316.9043103650069,
"volume_molar": 47.71105911171997,
"formula_full": "Xe4",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.13871869,
"energy_per_atom": -0.0346796725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.13871869,
"band_gap": 6.1951,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.482000Z",
"spacegroup": 194
},
{
"id": "mp-972256",
"created_at": "2022-09-04T14:42:15.153334Z",
"structure_string": "Xe1\n1.0\n4.139024 -2.528659 0.000000\n4.139024 2.528659 0.000000\n2.594187 0.000000 4.098272\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.5413921450114025,
"density_atomic": 0.011656844789064112,
"volume": 85.78650724921306,
"volume_molar": 51.66184219635215,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03617417,
"energy_per_atom": -0.03617417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03617417,
"band_gap": 6.3353,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.098000Z",
"spacegroup": 166
},
{
"id": "mp-611517",
"created_at": "2022-09-04T14:45:53.284052Z",
"structure_string": "Xe1\n1.0\n0.000000 3.330738 3.330738\n3.330738 0.000000 3.330738\n3.330738 3.330738 0.000000\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.950117121282437,
"density_atomic": 0.013531582467449434,
"volume": 73.90118653199103,
"volume_molar": 44.504334762666616,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03039347,
"energy_per_atom": -0.03039347,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03039347,
"band_gap": 6.2094,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.81e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.257000Z",
"spacegroup": 225
},
{
"id": "mp-1187777",
"created_at": "2022-09-04T14:39:19.200835Z",
"structure_string": "Xe4\n1.0\n3.967823 -8.557248 0.000000\n3.967823 8.557248 0.000000\n0.000000 0.000000 5.078424\nXe\n4\ndirect\n0.366897 0.633103 0.485509 Xe\n0.866897 0.133103 0.014491 Xe\n0.133103 0.866897 0.985509 Xe\n0.633103 0.366897 0.514491 Xe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.528746521824349,
"density_atomic": 0.011598841907831548,
"volume": 344.8620156896178,
"volume_molar": 51.92019003150517,
"formula_full": "Xe4",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.12689711,
"energy_per_atom": -0.0317242775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.12689711,
"band_gap": 6.152100000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.190000Z",
"spacegroup": 64
}
]
}