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=32",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=30",
"results": [
{
"id": "mp-1207382",
"created_at": "2022-09-04T14:41:04.803487Z",
"structure_string": "Zr4 Si4 As4\n1.0\n3.593225 0.000000 0.000000\n0.000000 6.528980 0.000000\n0.000000 0.000000 9.363992\nZr Si As\n4 4 4\ndirect\n0.250000 0.727338 0.837012 Zr\n0.750000 0.272662 0.162988 Zr\n0.750000 0.772662 0.337012 Zr\n0.250000 0.227338 0.662988 Zr\n0.250000 0.616611 0.540072 Si\n0.750000 0.383389 0.459928 Si\n0.750000 0.883389 0.040072 Si\n0.250000 0.116611 0.959928 Si\n0.250000 0.614126 0.139218 As\n0.750000 0.385874 0.860782 As\n0.750000 0.885874 0.639218 As\n0.250000 0.114126 0.360782 As\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"As"
],
"chemical_system": "As-Si-Zr",
"density": 5.872689961899841,
"density_atomic": 0.054624875629013595,
"volume": 219.6801340381687,
"volume_molar": 11.024539077945994,
"formula_full": "Zr4 Si4 As4",
"formula_reduced": "ZrSiAs",
"formula_anonymous": "ABC",
"energy": -82.93182139,
"energy_per_atom": -6.910985115833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.21582139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002332,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.592000Z",
"spacegroup": 62
},
{
"id": "mp-893",
"created_at": "2022-09-04T14:39:44.105844Z",
"structure_string": "Zr4 Si4\n1.0\n3.803331 0.000000 0.000000\n0.000000 5.328118 0.000000\n0.000000 0.000000 7.030146\nZr Si\n4 4\ndirect\n0.250000 0.124695 0.175583 Zr\n0.750000 0.875305 0.824417 Zr\n0.750000 0.624695 0.324417 Zr\n0.250000 0.375305 0.675583 Zr\n0.250000 0.638214 0.043349 Si\n0.750000 0.361786 0.956651 Si\n0.750000 0.138214 0.456651 Si\n0.250000 0.861786 0.543349 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Si"
],
"chemical_system": "Si-Zr",
"density": 5.5626509889834965,
"density_atomic": 0.056154903450250634,
"volume": 142.46307104930645,
"volume_molar": 10.724158337010055,
"formula_full": "Zr4 Si4",
"formula_reduced": "ZrSi",
"formula_anonymous": "AB",
"energy": -63.07476587,
"energy_per_atom": -7.88434573375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.35876587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032152,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.272000Z",
"spacegroup": 62
},
{
"id": "mp-1215356",
"created_at": "2022-09-04T14:40:35.083638Z",
"structure_string": "Zr4 Si3 Sb5\n1.0\n3.849726 0.000000 0.000000\n0.000000 3.849726 0.000000\n0.000000 0.000000 17.435620\nZr Si Sb\n4 3 5\ndirect\n0.500000 0.000000 0.379430 Zr\n0.500000 0.000000 0.872186 Zr\n0.000000 0.500000 0.127814 Zr\n0.000000 0.500000 0.620570 Zr\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.199579 Sb\n0.500000 0.000000 0.690141 Sb\n0.000000 0.500000 0.309859 Sb\n0.000000 0.500000 0.800421 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Sb"
],
"chemical_system": "Sb-Si-Zr",
"density": 6.7985802928896,
"density_atomic": 0.04643914448645876,
"volume": 258.40269308792057,
"volume_molar": 12.96781158782114,
"formula_full": "Zr4 Si3 Sb5",
"formula_reduced": "Zr4Si3Sb5",
"formula_anonymous": "A3B4C5",
"energy": -78.8635319,
"energy_per_atom": -6.571960991666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.9035319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.04854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.257000Z",
"spacegroup": 115
},
{
"id": "mp-1215663",
"created_at": "2022-09-04T14:43:38.258081Z",
"structure_string": "Zr4 Si2 Ni6\n1.0\n2.509097 -4.345884 0.000000\n2.509097 4.345884 0.000000\n0.000000 0.000000 7.828957\nZr Si Ni\n4 2 6\ndirect\n0.333333 0.666667 0.445576 Zr\n0.666667 0.333333 0.554424 Zr\n0.666667 0.333333 0.945576 Zr\n0.333333 0.666667 0.054424 Zr\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.832728 0.167272 0.250000 Ni\n0.832728 0.665456 0.250000 Ni\n0.334544 0.167272 0.250000 Ni\n0.167272 0.832728 0.750000 Ni\n0.167272 0.334544 0.750000 Ni\n0.665456 0.832728 0.750000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Zr",
"density": 7.520155971383729,
"density_atomic": 0.07028323799049706,
"volume": 170.7377227216326,
"volume_molar": 8.56838832726268,
"formula_full": "Zr4 Si2 Ni6",
"formula_reduced": "Zr2SiNi3",
"formula_anonymous": "AB2C3",
"energy": -87.29856681,
"energy_per_atom": -7.2748805674999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.29856681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.099276,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.678000Z",
"spacegroup": 194
},
{
"id": "mp-1215536",
"created_at": "2022-09-04T14:46:39.311887Z",
"structure_string": "Zr4 Si2 Mo6\n1.0\n2.643973 -4.579495 0.000000\n2.643973 4.579495 0.000000\n0.000000 0.000000 8.741389\nZr Si Mo\n4 2 6\ndirect\n0.333333 0.666667 0.436252 Zr\n0.666667 0.333333 0.563748 Zr\n0.666667 0.333333 0.936252 Zr\n0.333333 0.666667 0.063748 Zr\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.830304 0.169696 0.250000 Mo\n0.830304 0.660609 0.250000 Mo\n0.339391 0.169696 0.250000 Mo\n0.169696 0.830304 0.750000 Mo\n0.169696 0.339391 0.750000 Mo\n0.660609 0.830304 0.750000 Mo\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Zr",
"density": 7.8186461379753105,
"density_atomic": 0.056688660894472616,
"volume": 211.682544809769,
"volume_molar": 10.62318401066197,
"formula_full": "Zr4 Si2 Mo6",
"formula_reduced": "Zr2SiMo3",
"formula_anonymous": "AB2C3",
"energy": -114.45106102,
"energy_per_atom": -9.537588418333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.45106102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002907,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.605000Z",
"spacegroup": 194
},
{
"id": "mp-1278",
"created_at": "2022-09-04T14:44:54.936350Z",
"structure_string": "Zr4 Si2\n1.0\n-3.313602 3.313602 2.665712\n3.313602 -3.313602 2.665712\n3.313602 3.313602 -2.665712\nZr Si\n4 2\ndirect\n0.158126 0.658126 0.816252 Zr\n0.341874 0.158126 0.500000 Zr\n0.658126 0.841874 0.500000 Zr\n0.841874 0.341874 0.183748 Zr\n0.250000 0.250000 0.000000 Si\n0.750000 0.750000 0.000000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Si"
],
"chemical_system": "Si-Zr",
"density": 5.972090741082197,
"density_atomic": 0.05124804995886882,
"volume": 117.07762548654127,
"volume_molar": 11.750965675441917,
"formula_full": "Zr4 Si2",
"formula_reduced": "Zr2Si",
"formula_anonymous": "AB2",
"energy": -49.55900783,
"energy_per_atom": -8.259834638333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.70100783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024078,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.616000Z",
"spacegroup": 140
},
{
"id": "mp-1215598",
"created_at": "2022-09-04T14:41:50.940161Z",
"structure_string": "Zr4 Se6\n1.0\n5.664202 3.265235 0.000000\n-5.664202 3.265235 0.000000\n0.000000 2.205376 6.354128\nZr Se\n4 6\ndirect\n0.170777 0.829223 0.500000 Zr\n0.500000 0.500000 0.500000 Zr\n0.829223 0.170777 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.260449 0.260449 0.243220 Se\n0.579746 0.921521 0.235903 Se\n0.921521 0.579746 0.235903 Se\n0.078479 0.420254 0.764097 Se\n0.420254 0.078479 0.764097 Se\n0.739551 0.739551 0.756780 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 5.925074630518145,
"density_atomic": 0.04254620899488714,
"volume": 235.03856715416688,
"volume_molar": 14.154353354311056,
"formula_full": "Zr4 Se6",
"formula_reduced": "Zr2Se3",
"formula_anonymous": "A2B3",
"energy": -71.56344268,
"energy_per_atom": -7.156344268,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.73144268,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.771000Z",
"spacegroup": 12
},
{
"id": "mp-756361",
"created_at": "2022-09-04T14:47:19.278414Z",
"structure_string": "Zr4 Se4 O4\n1.0\n5.887382 0.000000 0.000000\n0.000000 5.887382 0.000000\n0.000000 0.000000 5.887382\nZr Se O\n4 4 4\ndirect\n0.077999 0.077999 0.077999 Zr\n0.422001 0.922001 0.577999 Zr\n0.577999 0.422001 0.922001 Zr\n0.922001 0.577999 0.422001 Zr\n0.159000 0.659000 0.841000 Se\n0.341000 0.341000 0.341000 Se\n0.659000 0.841000 0.159000 Se\n0.841000 0.159000 0.659000 Se\n0.151187 0.848813 0.348813 O\n0.348813 0.151187 0.848813 O\n0.651187 0.651187 0.651187 O\n0.848813 0.348813 0.151187 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Se",
"O"
],
"chemical_system": "O-Se-Zr",
"density": 6.060150344336365,
"density_atomic": 0.05880504665770629,
"volume": 204.06411833749345,
"volume_molar": 10.240857039114024,
"formula_full": "Zr4 Se4 O4",
"formula_reduced": "ZrSeO",
"formula_anonymous": "ABC",
"energy": -100.28445149,
"energy_per_atom": -8.357037624166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.64845149,
"band_gap": 1.9571,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.800000Z",
"spacegroup": 198
},
{
"id": "mp-1215280",
"created_at": "2022-09-04T14:43:21.443346Z",
"structure_string": "Zr4 Se4\n1.0\n5.189639 0.000000 0.000000\n2.440592 6.180220 0.000000\n2.546516 0.023515 6.190045\nZr Se\n4 4\ndirect\n0.919177 0.919481 0.740890 Zr\n0.080823 0.080519 0.259110 Zr\n0.335568 0.240011 0.578677 Zr\n0.664432 0.759989 0.421323 Zr\n0.232807 0.661617 0.375916 Se\n0.390690 0.874993 0.839716 Se\n0.609310 0.125007 0.160284 Se\n0.767193 0.338383 0.624084 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 5.693678307093391,
"density_atomic": 0.04029536527443726,
"volume": 198.5339987741735,
"volume_molar": 14.944996078296755,
"formula_full": "Zr4 Se4",
"formula_reduced": "ZrSe",
"formula_anonymous": "AB",
"energy": -58.12505379,
"energy_per_atom": -7.26563172375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.23705379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0110903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.252000Z",
"spacegroup": 2
},
{
"id": "mp-1079726",
"created_at": "2022-09-04T14:42:58.969845Z",
"structure_string": "Zr4 Se2 N4\n1.0\n1.841839 -3.190159 0.000000\n1.841839 3.190159 0.000000\n0.000000 0.000000 13.324230\nZr Se N\n4 2 4\ndirect\n0.333333 0.666667 0.598529 Zr\n0.666667 0.333333 0.401471 Zr\n0.666667 0.333333 0.098529 Zr\n0.333333 0.666667 0.901471 Zr\n0.000000 0.000000 0.250000 Se\n0.000000 0.000000 0.750000 Se\n0.333333 0.666667 0.433149 N\n0.666667 0.333333 0.566851 N\n0.666667 0.333333 0.933149 N\n0.333333 0.666667 0.066851 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Se",
"N"
],
"chemical_system": "N-Se-Zr",
"density": 6.138660606062816,
"density_atomic": 0.06386514311027536,
"volume": 156.57993567372256,
"volume_molar": 9.429464128189025,
"formula_full": "Zr4 Se2 N4",
"formula_reduced": "Zr2SeN2",
"formula_anonymous": "AB2C2",
"energy": -92.6123616,
"energy_per_atom": -9.26123616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.2243616,
"band_gap": 0.3368000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002826,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.422000Z",
"spacegroup": 194
},
{
"id": "mp-619928",
"created_at": "2022-09-04T14:40:42.332159Z",
"structure_string": "Zr4 Se16 Cl24\n1.0\n11.114009 0.000000 0.000000\n0.000000 11.114009 0.000000\n0.000000 0.000000 11.048019\nZr Se Cl\n4 16 24\ndirect\n0.750000 0.750000 0.250000 Zr\n0.750000 0.250000 0.750000 Zr\n0.250000 0.250000 0.250000 Zr\n0.250000 0.750000 0.750000 Zr\n0.839253 0.660747 0.830566 Se\n0.660747 0.839253 0.669434 Se\n0.644983 0.644983 0.750000 Se\n0.144983 0.855017 0.250000 Se\n0.144983 0.144983 0.750000 Se\n0.355017 0.355017 0.750000 Se\n0.339253 0.160747 0.669434 Se\n0.160747 0.339253 0.830566 Se\n0.855017 0.144983 0.250000 Se\n0.355017 0.644983 0.250000 Se\n0.855017 0.855017 0.750000 Se\n0.644983 0.355017 0.250000 Se\n0.660747 0.160747 0.169434 Se\n0.839253 0.339253 0.330566 Se\n0.160747 0.660747 0.330566 Se\n0.339253 0.839253 0.169434 Se\n0.807287 0.919595 0.110067 Cl\n0.614512 0.114512 0.860571 Cl\n0.692713 0.419595 0.889933 Cl\n0.885488 0.614512 0.139429 Cl\n0.307287 0.580405 0.889933 Cl\n0.419595 0.692713 0.610067 Cl\n0.192713 0.080405 0.110067 Cl\n0.692713 0.580405 0.389933 Cl\n0.080405 0.192713 0.389933 Cl\n0.580405 0.692713 0.110067 Cl\n0.307287 0.419595 0.389933 Cl\n0.192713 0.919595 0.610067 Cl\n0.114512 0.385488 0.139429 Cl\n0.580405 0.307287 0.610067 Cl\n0.614512 0.885488 0.360571 Cl\n0.419595 0.307287 0.110067 Cl\n0.114512 0.614512 0.639429 Cl\n0.919595 0.192713 0.889933 Cl\n0.080405 0.807287 0.889933 Cl\n0.385488 0.885488 0.860571 Cl\n0.919595 0.807287 0.389933 Cl\n0.885488 0.385488 0.639429 Cl\n0.807287 0.080405 0.610067 Cl\n0.385488 0.114512 0.360571 Cl\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Zr",
"Se",
"Cl"
],
"chemical_system": "Cl-Se-Zr",
"density": 3.0166307045403657,
"density_atomic": 0.0322423565107632,
"volume": 1364.6645208861157,
"volume_molar": 18.677731443077608,
"formula_full": "Zr4 Se16 Cl24",
"formula_reduced": "Zr(Se2Cl3)2",
"formula_anonymous": "AB4C6",
"energy": -189.14872032,
"energy_per_atom": -4.298834552727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.41272032,
"band_gap": 1.3208,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0125748,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.822000Z",
"spacegroup": 138
},
{
"id": "mp-30113",
"created_at": "2022-09-04T14:44:52.438432Z",
"structure_string": "Zr4 Se16 Cl24\n1.0\n11.097741 0.000000 0.000000\n0.000000 11.191501 0.000000\n0.000000 0.000000 11.193748\nZr Se Cl\n4 16 24\ndirect\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.108333 0.899530 0.504638 Se\n0.391667 0.600470 0.504638 Se\n0.608333 0.100470 0.995362 Se\n0.891667 0.399530 0.995362 Se\n0.891667 0.100470 0.495362 Se\n0.608333 0.399530 0.495362 Se\n0.391667 0.899530 0.004638 Se\n0.108333 0.600470 0.004638 Se\n0.915305 0.906745 0.421005 Se\n0.584695 0.593255 0.421005 Se\n0.415305 0.093255 0.078995 Se\n0.084695 0.406745 0.078995 Se\n0.084695 0.093255 0.578995 Se\n0.415305 0.406745 0.578995 Se\n0.584695 0.906745 0.921005 Se\n0.915305 0.593255 0.921005 Se\n0.671166 0.039243 0.357166 Cl\n0.828834 0.460757 0.357166 Cl\n0.171166 0.960757 0.142834 Cl\n0.328834 0.539243 0.142834 Cl\n0.328834 0.960757 0.642834 Cl\n0.171166 0.539243 0.642834 Cl\n0.828834 0.039243 0.857166 Cl\n0.671166 0.460757 0.857166 Cl\n0.431560 0.828008 0.371089 Cl\n0.068440 0.671992 0.371089 Cl\n0.931560 0.171992 0.128911 Cl\n0.568440 0.328008 0.128911 Cl\n0.568440 0.171992 0.628911 Cl\n0.931560 0.328008 0.628911 Cl\n0.068440 0.828008 0.871089 Cl\n0.431560 0.671992 0.871089 Cl\n0.628246 0.865104 0.616070 Cl\n0.871754 0.634896 0.616070 Cl\n0.128246 0.134896 0.883930 Cl\n0.371754 0.365104 0.883930 Cl\n0.628246 0.634896 0.116070 Cl\n0.871754 0.865104 0.116070 Cl\n0.128246 0.365104 0.383930 Cl\n0.371754 0.134896 0.383930 Cl\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Zr",
"Se",
"Cl"
],
"chemical_system": "Cl-Se-Zr",
"density": 2.96107630794894,
"density_atomic": 0.03164857993150041,
"volume": 1390.2677496188699,
"volume_molar": 19.02815473248471,
"formula_full": "Zr4 Se16 Cl24",
"formula_reduced": "Zr(Se2Cl3)2",
"formula_anonymous": "AB4C6",
"energy": -189.22052639,
"energy_per_atom": -4.300466508863637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.48452639,
"band_gap": 1.1824,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001468,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.643000Z",
"spacegroup": 56
}
]
}