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=-formula_reduced&page=77",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=75",
"results": [
{
"id": "mp-1068661",
"created_at": "2022-09-04T14:40:24.078134Z",
"structure_string": "Zr1 B1 Rh3\n1.0\n4.150800 0.000000 0.000000\n0.000000 4.150800 0.000000\n0.000000 0.000000 4.150800\nZr B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"B",
"Rh"
],
"chemical_system": "B-Rh-Zr",
"density": 9.53746223612778,
"density_atomic": 0.06991567906507277,
"volume": 71.514716968512,
"volume_molar": 8.613433839918796,
"formula_full": "Zr1 B1 Rh3",
"formula_reduced": "ZrBRh3",
"formula_anonymous": "ABC3",
"energy": -41.00975012,
"energy_per_atom": -8.201950024,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.00975012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.039000Z",
"spacegroup": 221
},
{
"id": "mp-1207486",
"created_at": "2022-09-04T14:41:12.596551Z",
"structure_string": "Zr8 Br32\n1.0\n12.947888 0.000000 0.000000\n0.000000 12.947888 0.000000\n0.000000 0.000000 12.947888\nZr Br\n8 32\ndirect\n0.127229 0.127229 0.127229 Zr\n0.872771 0.872771 0.872771 Zr\n0.372771 0.872771 0.627229 Zr\n0.872771 0.627229 0.372771 Zr\n0.627229 0.127229 0.372771 Zr\n0.127229 0.372771 0.627229 Zr\n0.627229 0.372771 0.872771 Zr\n0.372771 0.627229 0.127229 Zr\n0.982301 0.514496 0.262211 Br\n0.017699 0.485504 0.737789 Br\n0.517699 0.485504 0.762211 Br\n0.017699 0.014496 0.237789 Br\n0.262211 0.982301 0.514496 Br\n0.482301 0.514496 0.237789 Br\n0.982301 0.985504 0.762211 Br\n0.737789 0.017699 0.485504 Br\n0.482301 0.985504 0.737789 Br\n0.762211 0.517699 0.485504 Br\n0.517699 0.014496 0.262211 Br\n0.237789 0.482301 0.514496 Br\n0.237789 0.017699 0.014496 Br\n0.762211 0.982301 0.985504 Br\n0.737789 0.482301 0.985504 Br\n0.262211 0.517699 0.014496 Br\n0.514496 0.262211 0.982301 Br\n0.485504 0.737789 0.017699 Br\n0.014496 0.237789 0.017699 Br\n0.985504 0.762211 0.982301 Br\n0.985504 0.737789 0.482301 Br\n0.014496 0.262211 0.517699 Br\n0.485504 0.762211 0.517699 Br\n0.514496 0.237789 0.482301 Br\n0.238131 0.238131 0.238131 Br\n0.761869 0.761869 0.761869 Br\n0.261869 0.761869 0.738131 Br\n0.761869 0.738131 0.261869 Br\n0.738131 0.238131 0.261869 Br\n0.238131 0.261869 0.738131 Br\n0.738131 0.261869 0.761869 Br\n0.261869 0.738131 0.238131 Br\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 2.514287885197353,
"density_atomic": 0.01842736291628581,
"volume": 2170.684985242714,
"volume_molar": 32.68042631687536,
"formula_full": "Zr8 Br32",
"formula_reduced": "ZrBr4",
"formula_anonymous": "AB4",
"energy": -192.43219182,
"energy_per_atom": -4.8108047955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.34419182,
"band_gap": 3.7707,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004209,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.304000Z",
"spacegroup": 205
},
{
"id": "mp-23247",
"created_at": "2022-09-04T14:47:26.852307Z",
"structure_string": "Zr2 Br6\n1.0\n3.747317 -6.490544 0.000000\n3.747317 6.490544 0.000000\n0.000000 0.000000 6.284645\nZr Br\n2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.703933 0.000000 0.750000 Br\n0.703933 0.703933 0.250000 Br\n0.296067 0.000000 0.250000 Br\n0.296067 0.296067 0.750000 Br\n0.000000 0.703933 0.750000 Br\n0.000000 0.296067 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 3.5950987852448435,
"density_atomic": 0.026168432492483504,
"volume": 305.71185348216335,
"volume_molar": 23.01299767087605,
"formula_full": "Zr2 Br6",
"formula_reduced": "ZrBr3",
"formula_anonymous": "AB3",
"energy": -41.31011896,
"energy_per_atom": -5.16376487,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.10611896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0177766,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.625000Z",
"spacegroup": 193
},
{
"id": "mp-28495",
"created_at": "2022-09-04T14:40:11.954973Z",
"structure_string": "Zr6 Br12\n1.0\n5.138428 -6.923935 0.000000\n5.138428 6.923935 0.000000\n-4.191444 0.000000 7.534993\nZr Br\n6 12\ndirect\n0.903435 0.968718 0.714390 Zr\n0.714390 0.903435 0.968718 Zr\n0.968718 0.714390 0.903435 Zr\n0.096565 0.031282 0.285610 Zr\n0.285610 0.096565 0.031282 Zr\n0.031282 0.285610 0.096565 Zr\n0.856793 0.631164 0.554929 Br\n0.554929 0.856793 0.631164 Br\n0.631164 0.554929 0.856793 Br\n0.143207 0.368836 0.445071 Br\n0.445071 0.143207 0.368836 Br\n0.368836 0.445071 0.143207 Br\n0.923154 0.310775 0.776551 Br\n0.310775 0.776551 0.923154 Br\n0.776551 0.923154 0.310775 Br\n0.076846 0.689225 0.223449 Br\n0.689225 0.223449 0.076846 Br\n0.223449 0.076846 0.689225 Br\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 4.664803211852296,
"density_atomic": 0.033571936927382945,
"volume": 536.162093921912,
"volume_molar": 17.938019998744966,
"formula_full": "Zr6 Br12",
"formula_reduced": "ZrBr2",
"formula_anonymous": "AB2",
"energy": -99.57063332,
"energy_per_atom": -5.531701851111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.16263332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9997218,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.527000Z",
"spacegroup": 148
},
{
"id": "mp-504594",
"created_at": "2022-09-04T14:48:11.073520Z",
"structure_string": "Zr2 Br2\n1.0\n9.734752 -1.767386 0.000000\n9.734752 1.767386 0.000000\n9.413875 0.000000 3.044339\nZr Br\n2 2\ndirect\n0.207372 0.207372 0.207372 Zr\n0.792628 0.792628 0.792628 Zr\n0.393836 0.393836 0.393836 Br\n0.606164 0.606164 0.606164 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 5.425263775225613,
"density_atomic": 0.03818393497946366,
"volume": 104.75609709034197,
"volume_molar": 15.771399053656644,
"formula_full": "Zr2 Br2",
"formula_reduced": "ZrBr",
"formula_anonymous": "AB",
"energy": -25.45315806,
"energy_per_atom": -6.363289515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.38515806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006635,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.473000Z",
"spacegroup": 166
},
{
"id": "mp-1066783",
"created_at": "2022-09-04T14:42:42.643012Z",
"structure_string": "Zr2 Br2\n1.0\n1.725669 -2.988946 0.000000\n1.725669 2.988946 0.000000\n0.000000 0.000000 10.036408\nZr Br\n2 2\ndirect\n0.666667 0.333333 0.623224 Zr\n0.333333 0.666667 0.376776 Zr\n0.666667 0.333333 0.182488 Br\n0.333333 0.666667 0.817512 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 5.48929154990673,
"density_atomic": 0.03863457341597025,
"volume": 103.53420903429809,
"volume_molar": 15.58743950699517,
"formula_full": "Zr2 Br2",
"formula_reduced": "ZrBr",
"formula_anonymous": "AB",
"energy": -25.18883699,
"energy_per_atom": -6.2972092475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.12083699,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002234,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.777000Z",
"spacegroup": 164
},
{
"id": "mp-1065846",
"created_at": "2022-09-04T14:40:21.135612Z",
"structure_string": "Zr2 Br2\n1.0\n1.774475 3.049985 0.000000\n-1.774475 3.049985 0.000000\n0.000000 2.694846 9.747833\nZr Br\n2 2\ndirect\n0.279555 0.279555 0.620513 Zr\n0.720445 0.720445 0.379487 Zr\n0.858452 0.858452 0.816416 Br\n0.141548 0.141548 0.183584 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 5.386349173186648,
"density_atomic": 0.03791004735011135,
"volume": 105.51292545373862,
"volume_molar": 15.885342227045022,
"formula_full": "Zr2 Br2",
"formula_reduced": "ZrBr",
"formula_anonymous": "AB",
"energy": -25.453058950000003,
"energy_per_atom": -6.363264737500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.38505895,
"band_gap": 0.0065999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.01e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.077000Z",
"spacegroup": 12
},
{
"id": "mp-1188026",
"created_at": "2022-09-04T14:39:41.948361Z",
"structure_string": "Zr1 B1 O3\n1.0\n3.448181 0.000000 0.000000\n0.000000 3.448181 0.000000\n0.000000 0.000000 3.448181\nZr B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"B",
"O"
],
"chemical_system": "B-O-Zr",
"density": 6.076679151888352,
"density_atomic": 0.12195506467460333,
"volume": 40.99870729715771,
"volume_molar": 4.937999726430458,
"formula_full": "Zr1 B1 O3",
"formula_reduced": "ZrBO3",
"formula_anonymous": "ABC3",
"energy": -40.4929829,
"energy_per_atom": -8.09859658,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.4319829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.974000Z",
"spacegroup": 221
},
{
"id": "mp-961724",
"created_at": "2022-09-04T14:43:12.582909Z",
"structure_string": "Zr1 Bi1 Rh1\n1.0\n0.000000 3.320992 3.320992\n3.320992 0.000000 3.320992\n3.320992 3.320992 0.000000\nZr Bi Rh\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Bi",
"Rh"
],
"chemical_system": "Bi-Rh-Zr",
"density": 9.13774591152589,
"density_atomic": 0.04095319325623622,
"volume": 73.25436092930725,
"volume_molar": 14.704935760004421,
"formula_full": "Zr1 Bi1 Rh1",
"formula_reduced": "ZrBiRh",
"formula_anonymous": "ABC",
"energy": -19.80810871,
"energy_per_atom": -6.602702903333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.80810871,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.204000Z",
"spacegroup": 216
},
{
"id": "mp-752685",
"created_at": "2022-09-04T14:42:39.391917Z",
"structure_string": "Zr4 Bi4 O16\n1.0\n5.499527 0.000000 0.000000\n-0.383902 7.834740 0.000000\n-0.189061 -1.082455 7.781635\nZr Bi O\n4 4 16\ndirect\n0.778941 0.328542 0.640055 Zr\n0.742889 0.827273 0.670170 Zr\n0.257111 0.172727 0.329830 Zr\n0.221059 0.671458 0.359945 Zr\n0.276745 0.150546 0.821867 Bi\n0.245238 0.638517 0.863364 Bi\n0.754762 0.361483 0.136636 Bi\n0.723255 0.849454 0.178133 Bi\n0.991473 0.317849 0.887482 O\n0.499770 0.387100 0.815037 O\n0.589277 0.828333 0.920059 O\n0.597316 0.073084 0.680718 O\n0.081981 0.909397 0.808682 O\n0.898119 0.582144 0.677583 O\n0.094639 0.184716 0.572059 O\n0.584664 0.307557 0.409996 O\n0.415336 0.692443 0.590004 O\n0.905361 0.815284 0.427941 O\n0.101881 0.417856 0.322417 O\n0.918019 0.090603 0.191318 O\n0.402684 0.926916 0.319282 O\n0.410723 0.171667 0.079941 O\n0.500230 0.612900 0.184963 O\n0.008527 0.682151 0.112518 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zr",
"density": 7.214905242471345,
"density_atomic": 0.07157979630299582,
"volume": 335.29014106729903,
"volume_molar": 8.413185103948049,
"formula_full": "Zr4 Bi4 O16",
"formula_reduced": "ZrBiO4",
"formula_anonymous": "ABC4",
"energy": -191.55351494,
"energy_per_atom": -7.981396455833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.56151494,
"band_gap": 0.6690999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.85e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.418000Z",
"spacegroup": 2
},
{
"id": "mp-754588",
"created_at": "2022-09-04T14:45:01.610367Z",
"structure_string": "Zr2 Bi2 O8\n1.0\n-2.663104 2.663104 5.417682\n2.663104 -2.663104 5.417682\n2.663104 2.663104 -5.417682\nZr Bi O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.615903 0.586822 0.494198 O\n0.092625 0.121705 0.505802 O\n0.878295 0.384097 0.970920 O\n0.413178 0.907375 0.029080 O\n0.336822 0.342625 0.470920 O\n0.871705 0.865903 0.529080 O\n0.657375 0.128295 0.994198 O\n0.134097 0.663178 0.005802 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zr",
"density": 7.8699444074092195,
"density_atomic": 0.07807850535335573,
"volume": 153.69146662954472,
"volume_molar": 7.712930380449676,
"formula_full": "Zr2 Bi2 O8",
"formula_reduced": "ZrBiO4",
"formula_anonymous": "ABC4",
"energy": -95.15668368,
"energy_per_atom": -7.92972364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.66068368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.924000Z",
"spacegroup": 88
},
{
"id": "mp-29642",
"created_at": "2022-09-04T14:41:11.058141Z",
"structure_string": "Zr8 Bi16\n1.0\n4.061196 0.000000 0.000000\n0.000000 10.412951 0.000000\n0.000000 0.000000 15.692119\nZr Bi\n8 16\ndirect\n0.500000 0.663019 0.993810 Zr\n0.500000 0.336981 0.006190 Zr\n0.000000 0.163019 0.506190 Zr\n0.000000 0.836981 0.493810 Zr\n0.000000 0.977127 0.751383 Zr\n0.000000 0.022873 0.248617 Zr\n0.500000 0.477127 0.748617 Zr\n0.500000 0.522873 0.251383 Zr\n0.000000 0.876874 0.942947 Bi\n0.000000 0.123126 0.057053 Bi\n0.500000 0.376874 0.557053 Bi\n0.500000 0.623126 0.442947 Bi\n0.000000 0.653697 0.650193 Bi\n0.000000 0.346303 0.349807 Bi\n0.500000 0.153697 0.849807 Bi\n0.500000 0.846303 0.150193 Bi\n0.500000 0.764982 0.799919 Bi\n0.500000 0.235018 0.200081 Bi\n0.000000 0.264982 0.700081 Bi\n0.000000 0.735018 0.299919 Bi\n0.500000 0.987077 0.605921 Bi\n0.500000 0.012923 0.394079 Bi\n0.000000 0.487077 0.894079 Bi\n0.000000 0.512923 0.105921 Bi\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"Bi"
],
"chemical_system": "Bi-Zr",
"density": 10.19307331196961,
"density_atomic": 0.036166116280116824,
"volume": 663.604568821081,
"volume_molar": 16.651333843415237,
"formula_full": "Zr8 Bi16",
"formula_reduced": "ZrBi2",
"formula_anonymous": "AB2",
"energy": -137.2201122,
"energy_per_atom": -5.717504675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.2201122,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056019,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.346000Z",
"spacegroup": 58
}
]
}