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=10179",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10177",
"results": [
{
"id": "mp-1096360",
"created_at": "2022-09-04T14:39:06.681315Z",
"structure_string": "Na1 Sr2 Mg1\n1.0\n-7.111728 7.237947 10.313953\n7.111728 -7.237947 10.313953\n7.111728 7.237947 -10.313953\nNa Sr Mg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.261374 0.261374 Sr\n0.000000 0.738626 0.738626 Sr\n0.000000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Mg"
],
"chemical_system": "Mg-Na-Sr",
"density": 0.17400883410405765,
"density_atomic": 0.0018835810623404213,
"volume": 2123.6144703163704,
"volume_molar": 319.71763150545064,
"formula_full": "Na1 Sr2 Mg1",
"formula_reduced": "NaSr2Mg",
"formula_anonymous": "ABC2",
"energy": -1.48566586,
"energy_per_atom": -0.371416465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.48566586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.652000Z",
"spacegroup": 71
},
{
"id": "mp-1017357",
"created_at": "2022-09-04T14:39:23.620948Z",
"structure_string": "Na2 Sr2 Mg12\n1.0\n5.420682 0.000000 0.000000\n0.000000 6.646855 0.000000\n0.000000 0.000000 12.348652\nNa Sr Mg\n2 2 12\ndirect\n0.500000 0.000000 0.168801 Na\n0.500000 0.500000 0.668801 Na\n0.500000 0.500000 0.172666 Sr\n0.500000 0.000000 0.672666 Sr\n0.500000 0.254240 0.422066 Mg\n0.500000 0.745760 0.422066 Mg\n0.000000 0.756368 0.068985 Mg\n0.000000 0.243632 0.068985 Mg\n0.000000 0.000000 0.333914 Mg\n0.000000 0.500000 0.342513 Mg\n0.500000 0.754240 0.922066 Mg\n0.500000 0.245760 0.922066 Mg\n0.000000 0.256368 0.568985 Mg\n0.000000 0.743632 0.568985 Mg\n0.000000 0.500000 0.833914 Mg\n0.000000 0.000000 0.842513 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Mg"
],
"chemical_system": "Mg-Na-Sr",
"density": 1.9141447803012293,
"density_atomic": 0.03596087873060139,
"volume": 444.9279485037886,
"volume_molar": 16.74636708717404,
"formula_full": "Na2 Sr2 Mg12",
"formula_reduced": "NaSrMg6",
"formula_anonymous": "ABC6",
"energy": -23.743795,
"energy_per_atom": -1.4839871875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.743795,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0084128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.560000Z",
"spacegroup": 38
},
{
"id": "mp-1017360",
"created_at": "2022-09-04T14:47:09.160493Z",
"structure_string": "Na2 Sr2 Mg12\n1.0\n5.406916 0.000000 0.000000\n0.000000 6.848417 0.000000\n0.000000 0.000000 11.967873\nNa Sr Mg\n2 2 12\ndirect\n0.000000 0.500000 0.339606 Na\n0.000000 0.000000 0.839606 Na\n0.500000 0.500000 0.166146 Sr\n0.500000 0.000000 0.666146 Sr\n0.000000 0.239702 0.079537 Mg\n0.000000 0.760298 0.079537 Mg\n0.000000 0.000000 0.332446 Mg\n0.500000 0.749802 0.419690 Mg\n0.500000 0.250198 0.419690 Mg\n0.500000 0.000000 0.163348 Mg\n0.000000 0.739702 0.579537 Mg\n0.000000 0.260298 0.579537 Mg\n0.000000 0.500000 0.832446 Mg\n0.500000 0.249802 0.919690 Mg\n0.500000 0.750198 0.919690 Mg\n0.500000 0.500000 0.663348 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Mg"
],
"chemical_system": "Mg-Na-Sr",
"density": 1.921797744956882,
"density_atomic": 0.03610465434086019,
"volume": 443.15616066963855,
"volume_molar": 16.67967986383587,
"formula_full": "Na2 Sr2 Mg12",
"formula_reduced": "NaSrMg6",
"formula_anonymous": "ABC6",
"energy": -23.74730807,
"energy_per_atom": -1.484206754375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.74730807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.618000Z",
"spacegroup": 38
},
{
"id": "mp-1026521",
"created_at": "2022-09-04T14:41:16.526744Z",
"structure_string": "Na1 Mg14 Ti1\n1.0\n6.410727 -0.042269 0.000000\n-3.241969 5.615255 0.000000\n0.000000 0.000000 10.248929\nNa Mg Ti\n1 14 1\ndirect\n0.167673 0.833836 0.125000 Na\n0.166868 0.333433 0.625000 Mg\n0.167912 0.833955 0.625000 Mg\n0.663639 0.329352 0.125000 Mg\n0.666638 0.332987 0.625000 Mg\n0.663639 0.834285 0.125000 Mg\n0.666638 0.833650 0.625000 Mg\n0.331160 0.173369 0.374006 Mg\n0.331160 0.173369 0.875994 Mg\n0.331160 0.657792 0.374006 Mg\n0.331160 0.657792 0.875994 Mg\n0.840854 0.170428 0.370420 Mg\n0.840854 0.170428 0.879580 Mg\n0.829484 0.664742 0.376710 Mg\n0.829484 0.664742 0.873290 Mg\n0.171677 0.335838 0.125000 Ti\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Ti"
],
"chemical_system": "Mg-Na-Ti",
"density": 1.857487955878592,
"density_atomic": 0.04353325453854022,
"volume": 367.53512158929254,
"volume_molar": 13.833426477840217,
"formula_full": "Na1 Mg14 Ti1",
"formula_reduced": "NaMg14Ti",
"formula_anonymous": "ABC14",
"energy": -30.12750001,
"energy_per_atom": -1.882968750625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.12750001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2694863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.144000Z",
"spacegroup": 38
},
{
"id": "mp-1021382",
"created_at": "2022-09-04T14:39:13.488599Z",
"structure_string": "Na2 Mg12 Ti2\n1.0\n5.090888 0.000000 0.000000\n0.000000 6.693808 0.000000\n0.000000 0.000000 10.878619\nNa Mg Ti\n2 12 2\ndirect\n0.500000 0.500000 0.835895 Na\n0.500000 0.000000 0.335895 Na\n0.500000 0.253826 0.084179 Mg\n0.500000 0.746174 0.084179 Mg\n0.000000 0.236207 0.912572 Mg\n0.000000 0.763793 0.912572 Mg\n0.000000 0.500000 0.170401 Mg\n0.000000 0.500000 0.661274 Mg\n0.500000 0.753826 0.584179 Mg\n0.500000 0.246174 0.584179 Mg\n0.000000 0.736207 0.412572 Mg\n0.000000 0.263793 0.412572 Mg\n0.000000 0.000000 0.670401 Mg\n0.000000 0.000000 0.161274 Mg\n0.500000 0.500000 0.338932 Ti\n0.500000 0.000000 0.838932 Ti\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Ti"
],
"chemical_system": "Mg-Na-Ti",
"density": 1.9412028798067236,
"density_atomic": 0.04315979984859123,
"volume": 370.715342891523,
"volume_molar": 13.953124854902606,
"formula_full": "Na2 Mg12 Ti2",
"formula_reduced": "NaMg6Ti",
"formula_anonymous": "ABC6",
"energy": -34.58773314,
"energy_per_atom": -2.16173332125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.58773314,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1434543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.356000Z",
"spacegroup": 38
},
{
"id": "mp-1026483",
"created_at": "2022-09-04T14:48:18.822804Z",
"structure_string": "Na1 Mg14 Ti1\n1.0\n6.437020 -0.000000 0.000000\n-3.218510 5.574622 0.000000\n-0.000000 -0.000000 10.198527\nNa Mg Ti\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Na\n0.169730 0.834865 0.125000 Mg\n0.169393 0.834696 0.625000 Mg\n0.665135 0.330270 0.125000 Mg\n0.665304 0.330607 0.625000 Mg\n0.665135 0.834865 0.125000 Mg\n0.665304 0.834696 0.625000 Mg\n0.331649 0.168351 0.368729 Mg\n0.331649 0.168351 0.881271 Mg\n0.331649 0.663298 0.368729 Mg\n0.331649 0.663298 0.881271 Mg\n0.836702 0.168351 0.368729 Mg\n0.836702 0.168351 0.881271 Mg\n0.833333 0.666667 0.375225 Mg\n0.833333 0.666667 0.874775 Mg\n0.166667 0.333333 0.125000 Ti\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Ti"
],
"chemical_system": "Mg-Na-Ti",
"density": 1.8654650638779189,
"density_atomic": 0.04372021105253379,
"volume": 365.9634666624676,
"volume_molar": 13.774271932868423,
"formula_full": "Na1 Mg14 Ti1",
"formula_reduced": "NaMg14Ti",
"formula_anonymous": "ABC14",
"energy": -30.35225862,
"energy_per_atom": -1.89701616375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.35225862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9665622,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:28.373000Z",
"spacegroup": 187
},
{
"id": "mp-1021365",
"created_at": "2022-09-04T14:48:19.898888Z",
"structure_string": "Na2 Mg12 Ti2\n1.0\n5.156804 0.000000 0.000000\n0.000000 6.398559 0.000000\n0.000000 0.000000 11.107815\nNa Mg Ti\n2 12 2\ndirect\n0.500000 0.500000 0.166252 Na\n0.500000 0.000000 0.666252 Na\n0.000000 0.750170 0.082306 Mg\n0.000000 0.249830 0.082306 Mg\n0.000000 0.000000 0.335172 Mg\n0.500000 0.260363 0.412959 Mg\n0.500000 0.739637 0.412959 Mg\n0.500000 0.000000 0.167112 Mg\n0.000000 0.250170 0.582306 Mg\n0.000000 0.749830 0.582306 Mg\n0.000000 0.500000 0.835172 Mg\n0.500000 0.760363 0.912959 Mg\n0.500000 0.239637 0.912959 Mg\n0.500000 0.500000 0.667112 Mg\n0.000000 0.500000 0.340933 Ti\n0.000000 0.000000 0.840933 Ti\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Ti"
],
"chemical_system": "Mg-Na-Ti",
"density": 1.963450901610798,
"density_atomic": 0.043654451993444095,
"volume": 366.5147372002937,
"volume_molar": 13.795020862716108,
"formula_full": "Na2 Mg12 Ti2",
"formula_reduced": "NaMg6Ti",
"formula_anonymous": "ABC6",
"energy": -34.63368153,
"energy_per_atom": -2.164605095625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.63368153,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6205098,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:09.354000Z",
"spacegroup": 38
},
{
"id": "mp-1095829",
"created_at": "2022-09-04T14:48:06.199986Z",
"structure_string": "Na1 Mg2 Tl1\n1.0\n-6.111598 6.123834 8.819410\n6.111598 -6.123834 8.819410\n6.111598 6.123834 -8.819410\nNa Mg Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.254883 0.254883 Mg\n0.000000 0.745117 0.745117 Mg\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Tl"
],
"chemical_system": "Mg-Na-Tl",
"density": 0.34709936877868136,
"density_atomic": 0.003029578970431725,
"volume": 1320.3154758596659,
"volume_molar": 198.77814108083226,
"formula_full": "Na1 Mg2 Tl1",
"formula_reduced": "NaMg2Tl",
"formula_anonymous": "ABC2",
"energy": -2.71441201,
"energy_per_atom": -0.6786030025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.71441201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.430000Z",
"spacegroup": 71
},
{
"id": "mp-865110",
"created_at": "2022-09-04T14:39:17.460162Z",
"structure_string": "Na1 Mg1 Tl2\n1.0\n0.000000 3.758940 3.758940\n3.758940 0.000000 3.758940\n3.758940 3.758940 0.000000\nNa Mg Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Tl"
],
"chemical_system": "Mg-Na-Tl",
"density": 7.129288800197606,
"density_atomic": 0.03765596788528629,
"volume": 106.22486221003396,
"volume_molar": 15.99252681101073,
"formula_full": "Na1 Mg1 Tl2",
"formula_reduced": "NaMgTl2",
"formula_anonymous": "ABC2",
"energy": -8.050249,
"energy_per_atom": -2.01256225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.050249,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0166211,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.207000Z",
"spacegroup": 225
},
{
"id": "mp-1021683",
"created_at": "2022-09-04T14:47:34.032709Z",
"structure_string": "Na2 Mg12 V2\n1.0\n5.151092 0.000000 0.000000\n0.000000 6.579105 0.000000\n0.000000 0.000000 10.825311\nNa Mg V\n2 12 2\ndirect\n0.500000 0.500000 0.835570 Na\n0.500000 0.000000 0.335570 Na\n0.500000 0.251744 0.084131 Mg\n0.500000 0.748256 0.084131 Mg\n0.000000 0.235829 0.912918 Mg\n0.000000 0.764171 0.912918 Mg\n0.000000 0.500000 0.171107 Mg\n0.000000 0.500000 0.662888 Mg\n0.500000 0.751744 0.584131 Mg\n0.500000 0.248256 0.584131 Mg\n0.000000 0.735829 0.412918 Mg\n0.000000 0.264171 0.412918 Mg\n0.000000 0.000000 0.671107 Mg\n0.000000 0.000000 0.162888 Mg\n0.500000 0.500000 0.336341 V\n0.500000 0.000000 0.836341 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"V"
],
"chemical_system": "Mg-Na-V",
"density": 1.9894074578109473,
"density_atomic": 0.04361275044805835,
"volume": 366.8651904689107,
"volume_molar": 13.808211355924941,
"formula_full": "Na2 Mg12 V2",
"formula_reduced": "NaMg6V",
"formula_anonymous": "ABC6",
"energy": -36.23106769,
"energy_per_atom": -2.264441730625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.23106769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0505117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.838000Z",
"spacegroup": 38
},
{
"id": "mp-1028311",
"created_at": "2022-09-04T14:46:21.111920Z",
"structure_string": "Na1 Mg14 V1\n1.0\n6.383978 -0.029668 0.000000\n-3.217682 5.573188 0.000000\n0.000000 0.000000 10.233943\nNa Mg V\n1 14 1\ndirect\n0.167356 0.833678 0.125000 Na\n0.166951 0.333475 0.625000 Mg\n0.168034 0.834017 0.625000 Mg\n0.666073 0.332944 0.125000 Mg\n0.666379 0.332537 0.625000 Mg\n0.666073 0.833128 0.125000 Mg\n0.666379 0.833841 0.625000 Mg\n0.331261 0.172583 0.373797 Mg\n0.331261 0.172583 0.876203 Mg\n0.331261 0.658679 0.373797 Mg\n0.331261 0.658679 0.876203 Mg\n0.839413 0.169707 0.369688 Mg\n0.839413 0.169707 0.880312 Mg\n0.830005 0.665003 0.378470 Mg\n0.830005 0.665003 0.871530 Mg\n0.168876 0.334438 0.125000 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"V"
],
"chemical_system": "Mg-Na-V",
"density": 1.8940405565761755,
"density_atomic": 0.044060430275819865,
"volume": 363.1376248447741,
"volume_molar": 13.667911825420642,
"formula_full": "Na1 Mg14 V1",
"formula_reduced": "NaMg14V",
"formula_anonymous": "ABC14",
"energy": -30.89211053,
"energy_per_atom": -1.930756908125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.89211053,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1630587,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.892000Z",
"spacegroup": 38
},
{
"id": "mp-1021684",
"created_at": "2022-09-04T14:43:57.620036Z",
"structure_string": "Na2 Mg12 V2\n1.0\n5.190255 0.000000 0.000000\n0.000000 6.334289 0.000000\n0.000000 0.000000 11.067332\nNa Mg V\n2 12 2\ndirect\n0.500000 0.500000 0.168599 Na\n0.500000 0.000000 0.668599 Na\n0.000000 0.751353 0.082491 Mg\n0.000000 0.248647 0.082491 Mg\n0.000000 0.000000 0.334102 Mg\n0.500000 0.259509 0.412635 Mg\n0.500000 0.740491 0.412635 Mg\n0.500000 0.000000 0.167524 Mg\n0.000000 0.251353 0.582491 Mg\n0.000000 0.748647 0.582491 Mg\n0.000000 0.500000 0.834102 Mg\n0.500000 0.759509 0.912635 Mg\n0.500000 0.240491 0.912635 Mg\n0.500000 0.500000 0.667524 Mg\n0.000000 0.500000 0.339523 V\n0.000000 0.000000 0.839523 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"V"
],
"chemical_system": "Mg-Na-V",
"density": 2.0058605646050482,
"density_atomic": 0.043973443396045975,
"volume": 363.85597224889364,
"volume_molar": 13.69494925780932,
"formula_full": "Na2 Mg12 V2",
"formula_reduced": "NaMg6V",
"formula_anonymous": "ABC6",
"energy": -36.12691612,
"energy_per_atom": -2.2579322575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.12691612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.6867332,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.949000Z",
"spacegroup": 38
}
]
}