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=-structure_string&page=126",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=124",
"results": [
{
"id": "mp-1215711",
"created_at": "2022-09-04T14:46:14.936803Z",
"structure_string": "Zr1 Mn6 Al6\n1.0\n0.000000 0.000000 5.052607\n-4.272679 4.190921 2.526303\n-4.272679 -4.190921 -2.526303\nZr Mn Al\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.759985 0.759985 Mn\n0.500000 0.240015 0.240015 Mn\n0.656167 0.343833 0.656167 Al\n0.343833 0.656167 0.343833 Al\n0.000000 0.338205 0.338205 Al\n0.000000 0.661795 0.661795 Al\n0.688254 0.811746 0.188254 Al\n0.311746 0.188254 0.811746 Al\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Zr",
"density": 5.347733921041185,
"density_atomic": 0.07184360174265278,
"volume": 180.94861177153427,
"volume_molar": 8.382292387805942,
"formula_full": "Zr1 Mn6 Al6",
"formula_reduced": "Zr(MnAl)6",
"formula_anonymous": "AB6C6",
"energy": -89.49905047,
"energy_per_atom": -6.884542343846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.49905047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.6279666,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.384000Z",
"spacegroup": 71
},
{
"id": "mp-1093558",
"created_at": "2022-09-04T14:46:29.617767Z",
"structure_string": "Zr1 Mn1 Rh2\n1.0\n-4.773424 5.521484 7.807114\n4.773424 -5.521484 7.807114\n4.773424 5.521484 -7.807114\nZr Mn Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.266851 0.266851 Rh\n0.000000 0.733149 0.733149 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh-Zr",
"density": 0.7101043288232245,
"density_atomic": 0.004859858770078939,
"volume": 823.0691855959074,
"volume_molar": 123.91596227192797,
"formula_full": "Zr1 Mn1 Rh2",
"formula_reduced": "ZrMnRh2",
"formula_anonymous": "ABC2",
"energy": -23.24361301,
"energy_per_atom": -5.8109032525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.24361301,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0154721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.078000Z",
"spacegroup": 71
},
{
"id": "mp-1188022",
"created_at": "2022-09-04T14:45:17.660383Z",
"structure_string": "Zr1 Mn1 Rh2\n1.0\n0.000000 3.192859 3.192859\n3.192859 0.000000 3.192859\n3.192859 3.192859 0.000000\nZr Mn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh-Zr",
"density": 8.978200235252528,
"density_atomic": 0.061445598036452574,
"volume": 65.09823531422059,
"volume_molar": 9.800768407245979,
"formula_full": "Zr1 Mn1 Rh2",
"formula_reduced": "ZrMnRh2",
"formula_anonymous": "ABC2",
"energy": -34.71767146,
"energy_per_atom": -8.679417865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.71767146,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7957781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.732000Z",
"spacegroup": 225
},
{
"id": "mp-1245560",
"created_at": "2022-09-04T14:40:59.526076Z",
"structure_string": "Zr1 Mn1 N2\n1.0\n3.160211 -0.005352 -0.033703\n1.571420 4.709221 -0.015023\n-0.053741 13.578675 2.719058\nZr Mn N\n1 1 2\ndirect\n0.999964 0.000019 0.499997 Zr\n0.000103 0.999813 0.000019 Mn\n0.001830 0.998021 0.260095 N\n0.998103 0.002046 0.739890 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Zr",
"density": 7.1581120489411,
"density_atomic": 0.09899709651833467,
"volume": 40.405225412436046,
"volume_molar": 6.083148871830473,
"formula_full": "Zr1 Mn1 N2",
"formula_reduced": "ZrMnN2",
"formula_anonymous": "ABC2",
"energy": -38.47166412,
"energy_per_atom": -9.61791603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.74966412,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0076902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.107000Z",
"spacegroup": 166
},
{
"id": "mp-1206098",
"created_at": "2022-09-04T14:41:57.031207Z",
"structure_string": "Zr1 Mn1 F6\n1.0\n0.000000 4.183366 4.183366\n4.183366 0.000000 4.183366\n4.183366 4.183366 0.000000\nZr Mn F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.744227 0.255773 0.255773 F\n0.255773 0.744227 0.744227 F\n0.255773 0.744227 0.255773 F\n0.744227 0.255773 0.744227 F\n0.255773 0.255773 0.744227 F\n0.744227 0.744227 0.255773 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"F"
],
"chemical_system": "F-Mn-Zr",
"density": 2.950322277498775,
"density_atomic": 0.05463644129833735,
"volume": 146.42242082196978,
"volume_molar": 11.02220535762321,
"formula_full": "Zr1 Mn1 F6",
"formula_reduced": "ZrMnF6",
"formula_anonymous": "ABC6",
"energy": -58.48728288,
"energy_per_atom": -7.31091036,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.04728288,
"band_gap": 4.4442,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999246,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.281000Z",
"spacegroup": 225
},
{
"id": "mp-1215404",
"created_at": "2022-09-04T14:40:33.340731Z",
"structure_string": "Zr1 Mn1 Cu2 Se4\n1.0\n2.336608 6.433336 0.000000\n-2.336608 6.433336 0.000000\n0.000000 2.846628 5.969998\nZr Mn Cu Se\n1 1 2 4\ndirect\n0.469943 0.469943 0.202284 Zr\n0.272607 0.272607 0.755451 Mn\n0.105706 0.105706 0.228169 Cu\n0.681040 0.681040 0.601890 Cu\n0.712544 0.712544 0.937360 Se\n0.239883 0.239883 0.398530 Se\n0.493466 0.493466 0.561374 Se\n0.992738 0.992738 0.012442 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Mn",
"Cu",
"Se"
],
"chemical_system": "Cu-Mn-Se-Zr",
"density": 5.450137450456993,
"density_atomic": 0.04457216320948136,
"volume": 179.48422118086128,
"volume_molar": 13.510990551876501,
"formula_full": "Zr1 Mn1 Cu2 Se4",
"formula_reduced": "ZrMn(CuSe2)2",
"formula_anonymous": "ABC2D4",
"energy": -45.68931353,
"energy_per_atom": -5.71116419125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.80131353,
"band_gap": 0.2281999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.00091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.174000Z",
"spacegroup": 8
},
{
"id": "mp-1215300",
"created_at": "2022-09-04T14:44:28.487961Z",
"structure_string": "Zr1 Mn1 Cu2 S4\n1.0\n-2.369168 -4.099569 -0.000683\n1.351258 -3.513781 -5.325483\n5.381274 -3.103138 0.190620\nZr Mn Cu S\n1 1 2 4\ndirect\n0.477987 0.043817 0.817488 Zr\n0.258774 0.482619 0.231815 Mn\n0.085706 0.828064 0.705738 Cu\n0.674844 0.655037 0.409697 Cu\n0.720247 0.558847 0.101145 S\n0.243567 0.510306 0.612767 S\n0.490954 0.017156 0.444217 S\n0.001121 0.997654 0.963733 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Mn",
"Cu",
"S"
],
"chemical_system": "Cu-Mn-S-Zr",
"density": 4.186162590918709,
"density_atomic": 0.050229197587288756,
"volume": 159.26991439784655,
"volume_molar": 11.989323041712282,
"formula_full": "Zr1 Mn1 Cu2 S4",
"formula_reduced": "ZrMn(CuS2)2",
"formula_anonymous": "ABC2D4",
"energy": -49.49895474,
"energy_per_atom": -6.1873693425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.48695474,
"band_gap": 0.1910000000000007,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.000019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.732000Z",
"spacegroup": 8
},
{
"id": "mp-1438",
"created_at": "2022-09-04T14:47:32.384073Z",
"structure_string": "Zr1 Ir3\n1.0\n3.987559 0.000000 0.000000\n0.000000 3.987559 0.000000\n0.000000 0.000000 3.987559\nZr Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 17.491333437637753,
"density_atomic": 0.06308681838844145,
"volume": 63.404687416172926,
"volume_molar": 9.545798811599854,
"formula_full": "Zr1 Ir3",
"formula_reduced": "ZrIr3",
"formula_anonymous": "AB3",
"energy": -37.96603433,
"energy_per_atom": -9.4915085825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.96603433,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.614000Z",
"spacegroup": 221
},
{
"id": "mp-11484",
"created_at": "2022-09-04T14:40:31.311680Z",
"structure_string": "Zr1 Ir1\n1.0\n3.317330 0.000000 0.000000\n0.000000 3.317330 0.000000\n0.000000 0.000000 3.317330\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 12.892755309407919,
"density_atomic": 0.05478529026098782,
"volume": 36.50614956080984,
"volume_molar": 10.992258563040453,
"formula_full": "Zr1 Ir1",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy": -18.94884495,
"energy_per_atom": -9.474422475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.94884495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.543000Z",
"spacegroup": 221
},
{
"id": "mp-1017541",
"created_at": "2022-09-04T14:46:59.109232Z",
"structure_string": "Zr1 Ir1\n1.0\n3.136106 0.000000 0.000000\n0.000000 3.136106 0.000000\n0.000000 0.000000 3.663068\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 13.064275235468594,
"density_atomic": 0.05551413128133359,
"volume": 36.026862959710805,
"volume_molar": 10.847941994230434,
"formula_full": "Zr1 Ir1",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy": -18.96595299,
"energy_per_atom": -9.482976495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.96595299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.082000Z",
"spacegroup": 123
},
{
"id": "mp-570578",
"created_at": "2022-09-04T14:39:14.893430Z",
"structure_string": "Zr1 In3\n1.0\n-2.148402 2.148402 4.976351\n2.148402 -2.148402 4.976351\n2.148402 2.148402 -4.976351\nZr In\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.500000 0.500000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.874312303471461,
"density_atomic": 0.04353693975467422,
"volume": 91.87600282747367,
"volume_molar": 13.832255537330111,
"formula_full": "Zr1 In3",
"formula_reduced": "ZrIn3",
"formula_anonymous": "AB3",
"energy": -17.64808838,
"energy_per_atom": -4.412022095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.64808838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001328,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.459000Z",
"spacegroup": 139
},
{
"id": "mp-1096750",
"created_at": "2022-09-04T14:39:06.303671Z",
"structure_string": "Zr1 In1 Ru2\n1.0\n-4.939129 5.579915 7.581532\n4.939129 -5.579915 7.581532\n4.939129 5.579915 -7.581532\nZr In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.227659 0.227659 Ru\n0.000000 0.772341 0.772341 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ru"
],
"chemical_system": "In-Ru-Zr",
"density": 0.8109760535259312,
"density_atomic": 0.004785916036483913,
"volume": 835.7856614088647,
"volume_molar": 125.83047245484707,
"formula_full": "Zr1 In1 Ru2",
"formula_reduced": "ZrInRu2",
"formula_anonymous": "ABC2",
"energy": -19.02771277,
"energy_per_atom": -4.7569281925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.02771277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5382794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.189000Z",
"spacegroup": 71
}
]
}