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=elements&page=19",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=17",
"results": [
{
"id": "mp-10753",
"created_at": "2022-09-04T14:44:26.199202Z",
"structure_string": "Er1\n1.0\n-1.981163 1.981163 1.981163\n1.981163 -1.981163 1.981163\n1.981163 1.981163 -1.981163\nEr\n1\ndirect\n0.000000 0.000000 0.000000 Er\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 8.929311557089699,
"density_atomic": 0.03214988198259702,
"volume": 31.104313245731593,
"volume_molar": 18.73145526089281,
"formula_full": "Er1",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -4.42483749,
"energy_per_atom": -4.42483749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.42483749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0125177,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.783000Z",
"spacegroup": 229
},
{
"id": "mp-99",
"created_at": "2022-09-04T14:39:13.064391Z",
"structure_string": "Er2\n1.0\n1.793652 -3.106697 0.000000\n1.793652 3.106697 0.000000\n0.000000 0.000000 5.545683\nEr\n2\ndirect\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 8.987656551709964,
"density_atomic": 0.03235995245436004,
"volume": 61.804787965024616,
"volume_molar": 18.60985663836661,
"formula_full": "Er2",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -9.12207932,
"energy_per_atom": -4.56103966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.12207932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5174163,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.120000Z",
"spacegroup": 194
},
{
"id": "mp-1184113",
"created_at": "2022-09-04T14:46:03.813299Z",
"structure_string": "Er4\n1.0\n1.757746 -3.044506 0.000000\n1.757746 3.044506 0.000000\n0.000000 0.000000 11.379758\nEr\n4\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.250000 Er\n0.000000 0.000000 0.500000 Er\n0.666667 0.333333 0.750000 Er\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 9.121423285931561,
"density_atomic": 0.03284157801876396,
"volume": 121.79682711088394,
"volume_molar": 18.33694092457818,
"formula_full": "Er4",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -18.23947504,
"energy_per_atom": -4.55986876,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.23947504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0156456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.031000Z",
"spacegroup": 194
},
{
"id": "mp-1077457",
"created_at": "2022-09-04T14:41:47.536514Z",
"structure_string": "Eu6\n1.0\n4.076402 -5.920378 0.000000\n4.076402 5.920378 0.000000\n-4.522080 0.000000 5.587371\nEu\n6\ndirect\n0.436809 0.063191 0.250000 Eu\n0.250000 0.436809 0.063191 Eu\n0.063191 0.250000 0.436809 Eu\n0.750000 0.563191 0.936809 Eu\n0.936809 0.750000 0.563191 Eu\n0.563191 0.936809 0.750000 Eu\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.614060871532905,
"density_atomic": 0.02224781186021886,
"volume": 269.6894435146026,
"volume_molar": 27.068463172183435,
"formula_full": "Eu6",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -61.0149301,
"energy_per_atom": -10.169155016666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.0149301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.9234401,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.649000Z",
"spacegroup": 167
},
{
"id": "mp-1184367",
"created_at": "2022-09-04T14:45:21.979562Z",
"structure_string": "Eu4\n1.0\n1.979594 -3.428757 0.000000\n1.979594 3.428757 0.000000\n0.000000 0.000000 12.860896\nEu\n4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.333333 0.666667 0.250000 Eu\n0.000000 0.000000 0.500000 Eu\n0.666667 0.333333 0.750000 Eu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.78143633122631,
"density_atomic": 0.02291109959836192,
"volume": 174.5878665852419,
"volume_molar": 26.284817689110685,
"formula_full": "Eu4",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -41.01005896,
"energy_per_atom": -10.25251474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.01005896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.3073793,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.367000Z",
"spacegroup": 194
},
{
"id": "mp-1057315",
"created_at": "2022-09-04T14:48:11.941860Z",
"structure_string": "Eu2\n1.0\n1.911456 -3.378716 0.000000\n1.911456 3.378716 0.000000\n0.000000 0.000000 6.419474\nEu\n2\ndirect\n0.849570 0.150430 0.750000 Eu\n0.150430 0.849570 0.250000 Eu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 6.086594594234831,
"density_atomic": 0.024120403127190777,
"volume": 82.91735380431568,
"volume_molar": 24.966998802815528,
"formula_full": "Eu2",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -20.58408695,
"energy_per_atom": -10.292043475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.58408695,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0594311,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:42.232000Z",
"spacegroup": 63
},
{
"id": "mp-21462",
"created_at": "2022-09-04T14:44:59.829577Z",
"structure_string": "Eu2\n1.0\n2.025328 -3.507971 0.000000\n2.025328 3.507971 0.000000\n0.000000 0.000000 6.513786\nEu\n2\ndirect\n0.333333 0.666667 0.250000 Eu\n0.666667 0.333333 0.750000 Eu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.452616661628094,
"density_atomic": 0.02160802891342242,
"volume": 92.55818788532096,
"volume_molar": 27.869921796796483,
"formula_full": "Eu2",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -20.49290429,
"energy_per_atom": -10.246452145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.49290429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.8417364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.441000Z",
"spacegroup": 194
},
{
"id": "mp-623532",
"created_at": "2022-09-04T14:44:02.944976Z",
"structure_string": "Eu1\n1.0\n0.000000 2.758257 2.758257\n2.758257 0.000000 2.758257\n2.758257 2.758257 0.000000\nEu\n1\ndirect\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 6.0125075022655246,
"density_atomic": 0.02382680536950316,
"volume": 41.9695374387008,
"volume_molar": 25.274646208794607,
"formula_full": "Eu1",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -10.2570018,
"energy_per_atom": -10.2570018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.2570018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.3625888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.949000Z",
"spacegroup": 225
},
{
"id": "mp-20071",
"created_at": "2022-09-04T14:43:14.999259Z",
"structure_string": "Eu1\n1.0\n-2.319517 2.319517 2.319517\n2.319517 -2.319517 2.319517\n2.319517 2.319517 -2.319517\nEu\n1\ndirect\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.055186040663921,
"density_atomic": 0.020033061722108975,
"volume": 49.917482103915034,
"volume_molar": 30.06101036145573,
"formula_full": "Eu1",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -10.20868622,
"energy_per_atom": -10.20868622,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.20868622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1951804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.531000Z",
"spacegroup": 229
},
{
"id": "mp-561367",
"created_at": "2022-09-04T14:46:23.697263Z",
"structure_string": "F4\n1.0\n1.640308 2.751279 0.000000\n-1.640308 2.751279 0.000000\n0.000000 1.535578 7.090378\nF\n4\ndirect\n0.494965 0.494965 0.599142 F\n0.050246 0.050246 0.900882 F\n0.505035 0.505035 0.400858 F\n0.949754 0.949754 0.099118 F\n",
"nsites": 4,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 1.971817735041903,
"density_atomic": 0.06250295792011784,
"volume": 63.99697123314094,
"volume_molar": 9.634969224491138,
"formula_full": "F4",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy": -7.60855576,
"energy_per_atom": -1.90213894,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.60855576,
"band_gap": 2.4556,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0029613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.299000Z",
"spacegroup": 12
},
{
"id": "mp-1067793",
"created_at": "2022-09-04T14:42:21.560607Z",
"structure_string": "F4\n1.0\n1.628935 2.634576 0.000000\n-1.628935 2.634576 0.000000\n0.000000 0.929068 5.450456\nF\n4\ndirect\n0.234385 0.280933 0.706899 F\n0.719067 0.765615 0.793101 F\n0.765615 0.719067 0.293101 F\n0.280933 0.234385 0.206899 F\n",
"nsites": 4,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 2.6974218392729252,
"density_atomic": 0.08550325961506765,
"volume": 46.78184221289158,
"volume_molar": 7.043170970453575,
"formula_full": "F4",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy": -6.53697971,
"energy_per_atom": -1.6342449275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.53697971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.688000Z",
"spacegroup": 15
},
{
"id": "mp-760482",
"created_at": "2022-09-04T14:47:29.837692Z",
"structure_string": "F4\n1.0\n2.091901 -3.540118 0.000000\n2.091901 3.540118 0.000000\n0.000000 0.000000 6.375726\nF\n4\ndirect\n0.087458 0.087458 0.096013 F\n0.412542 0.412542 0.596013 F\n0.587458 0.587458 0.403987 F\n0.912542 0.912542 0.903987 F\n",
"nsites": 4,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 1.3363114295141898,
"density_atomic": 0.04235858901295609,
"volume": 94.43185179696454,
"volume_molar": 14.217047593719485,
"formula_full": "F4",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy": -7.63205315,
"energy_per_atom": -1.9080132875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.63205315,
"band_gap": 3.0949,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.662000Z",
"spacegroup": 64
}
]
}