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=12096",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=12094",
"results": [
{
"id": "mp-1192893",
"created_at": "2022-09-04T14:43:40.831077Z",
"structure_string": "Zr2 As4 O20\n1.0\n5.447606 0.000000 -1.235142\n0.000000 6.956374 0.000000\n0.134888 0.000000 12.465106\nZr As O\n2 4 20\ndirect\n0.179375 0.747761 0.862558 Zr\n0.820625 0.247761 0.137442 Zr\n0.763137 0.742947 0.061478 As\n0.236863 0.242947 0.938522 As\n0.587666 0.640246 0.675156 As\n0.412334 0.140246 0.324844 As\n0.935871 0.743512 0.964073 O\n0.064129 0.243512 0.035927 O\n0.827428 0.545824 0.143175 O\n0.172572 0.045824 0.856825 O\n0.815719 0.943751 0.141261 O\n0.184281 0.443751 0.858739 O\n0.462608 0.739425 0.996053 O\n0.537392 0.239425 0.003947 O\n0.887527 0.723356 0.709608 O\n0.112473 0.223356 0.290392 O\n0.419109 0.755748 0.752698 O\n0.580891 0.255748 0.247302 O\n0.588355 0.390134 0.671644 O\n0.411645 0.890134 0.328356 O\n0.452894 0.647868 0.536201 O\n0.547106 0.147868 0.463799 O\n0.010699 0.919865 0.341337 O\n0.989301 0.419865 0.658663 O\n0.928129 0.062863 0.483625 O\n0.071871 0.562863 0.516375 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Zr",
"As",
"O"
],
"chemical_system": "As-O-Zr",
"density": 2.812813324958832,
"density_atomic": 0.05490659558807327,
"volume": 473.5314532166638,
"volume_molar": 10.96797332906963,
"formula_full": "Zr2 As4 O20",
"formula_reduced": "Zr(AsO5)2",
"formula_anonymous": "AB2C10",
"energy": -170.13424005000002,
"energy_per_atom": -6.543624617307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.39424005,
"band_gap": 0.4186999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0047781,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.484000Z",
"spacegroup": 4
},
{
"id": "mp-1178615",
"created_at": "2022-09-04T14:45:26.474008Z",
"structure_string": "Zr2 As4 O20\n1.0\n6.970298 0.000000 0.000000\n0.000000 5.652409 0.000000\n0.000000 2.841898 12.807522\nZr As O\n2 4 20\ndirect\n0.244694 0.834282 0.870538 Zr\n0.744694 0.165718 0.129462 Zr\n0.247136 0.250486 0.055132 As\n0.747136 0.749514 0.944868 As\n0.353701 0.397901 0.697126 As\n0.853701 0.602099 0.302874 As\n0.250743 0.095069 0.956686 O\n0.750743 0.904931 0.043314 O\n0.444976 0.178694 0.132515 O\n0.944976 0.821306 0.867485 O\n0.047446 0.175618 0.129847 O\n0.547446 0.824382 0.870153 O\n0.245505 0.554301 0.001502 O\n0.745505 0.445699 0.998498 O\n0.248436 0.119601 0.727157 O\n0.748436 0.880399 0.272843 O\n0.257738 0.588261 0.767136 O\n0.757738 0.411739 0.232864 O\n0.667025 0.286346 0.689954 O\n0.167025 0.713654 0.310046 O\n0.324224 0.607356 0.532759 O\n0.824224 0.392644 0.467241 O\n0.175507 0.921930 0.327666 O\n0.675507 0.078070 0.672334 O\n0.889570 0.179444 0.479172 O\n0.389570 0.820556 0.520828 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Zr",
"As",
"O"
],
"chemical_system": "As-O-Zr",
"density": 2.6396096441982864,
"density_atomic": 0.051525630214544905,
"volume": 504.603240983952,
"volume_molar": 11.687660558298308,
"formula_full": "Zr2 As4 O20",
"formula_reduced": "Zr(AsO5)2",
"formula_anonymous": "AB2C10",
"energy": -169.56689953,
"energy_per_atom": -6.521803828076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.34689953,
"band_gap": 0.5371000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0002058,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.120000Z",
"spacegroup": 4
},
{
"id": "mp-2348",
"created_at": "2022-09-04T14:42:42.804156Z",
"structure_string": "Zr2 Au1\n1.0\n-1.654665 1.654665 5.878272\n1.654665 -1.654665 5.878272\n1.654665 1.654665 -5.878272\nZr Au\n2 1\ndirect\n0.660575 0.660575 0.000000 Zr\n0.339425 0.339425 0.000000 Zr\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Au"
],
"chemical_system": "Au-Zr",
"density": 9.78663226881268,
"density_atomic": 0.046600590956365165,
"volume": 64.3768660103275,
"volume_molar": 12.922884960061728,
"formula_full": "Zr2 Au1",
"formula_reduced": "Zr2Au",
"formula_anonymous": "AB2",
"energy": -21.61773999,
"energy_per_atom": -7.2059133300000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.61773999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002614,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.729000Z",
"spacegroup": 139
},
{
"id": "mp-1079681",
"created_at": "2022-09-04T14:45:54.989710Z",
"structure_string": "Zr2 Au6\n1.0\n4.892013 0.000000 0.000000\n0.000000 4.975106 0.000000\n0.000000 0.000000 6.198056\nZr Au\n2 6\ndirect\n0.500000 0.661064 0.500000 Zr\n0.000000 0.338936 0.000000 Zr\n0.500000 0.164368 0.753343 Au\n0.500000 0.164368 0.246657 Au\n0.000000 0.835632 0.746657 Au\n0.000000 0.835632 0.253343 Au\n0.000000 0.341004 0.500000 Au\n0.500000 0.658996 0.000000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Au"
],
"chemical_system": "Au-Zr",
"density": 15.017470936785928,
"density_atomic": 0.05303279914989797,
"volume": 150.85004239334765,
"volume_molar": 11.355502361808837,
"formula_full": "Zr2 Au6",
"formula_reduced": "ZrAu3",
"formula_anonymous": "AB3",
"energy": -40.76052076,
"energy_per_atom": -5.095065095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.76052076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.4e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:07.673000Z",
"spacegroup": 59
},
{
"id": "mp-1078623",
"created_at": "2022-09-04T14:47:37.010490Z",
"structure_string": "Zr2 B1 Ir6\n1.0\n0.000000 4.070051 4.070051\n4.070051 0.000000 4.070051\n4.070051 4.070051 0.000000\nZr B Ir\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Zr\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 B\n0.741846 0.741846 0.258154 Ir\n0.258154 0.741846 0.258154 Ir\n0.741846 0.258154 0.258154 Ir\n0.258154 0.258154 0.741846 Ir\n0.741846 0.258154 0.741846 Ir\n0.258154 0.741846 0.741846 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"B",
"Ir"
],
"chemical_system": "B-Ir-Zr",
"density": 16.58233101170008,
"density_atomic": 0.06674411212287662,
"volume": 134.84335492291672,
"volume_molar": 9.022729598849372,
"formula_full": "Zr2 B1 Ir6",
"formula_reduced": "Zr2BIr6",
"formula_anonymous": "AB2C6",
"energy": -84.12202002,
"energy_per_atom": -9.346891113333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.12202002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043715,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.082000Z",
"spacegroup": 225
},
{
"id": "mp-1215493",
"created_at": "2022-09-04T14:41:59.455275Z",
"structure_string": "Zr2 B1 Ir6\n1.0\n4.113469 0.000000 0.000000\n0.000000 4.113469 0.000000\n0.000000 0.000000 8.016091\nZr B Ir\n2 1 6\ndirect\n0.000000 0.000000 0.988445 Zr\n0.000000 0.000000 0.511555 Zr\n0.500000 0.500000 0.250000 B\n0.000000 0.500000 0.250000 Ir\n0.000000 0.500000 0.750000 Ir\n0.500000 0.500000 0.988628 Ir\n0.500000 0.500000 0.511372 Ir\n0.500000 0.000000 0.250000 Ir\n0.500000 0.000000 0.750000 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"B",
"Ir"
],
"chemical_system": "B-Ir-Zr",
"density": 16.485268814161586,
"density_atomic": 0.06635343543267962,
"volume": 135.63728752418785,
"volume_molar": 9.075853753058347,
"formula_full": "Zr2 B1 Ir6",
"formula_reduced": "Zr2BIr6",
"formula_anonymous": "AB2C6",
"energy": -83.34185435,
"energy_per_atom": -9.260206038888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.34185435,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010604,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.554000Z",
"spacegroup": 123
},
{
"id": "mp-1215435",
"created_at": "2022-09-04T14:46:27.667894Z",
"structure_string": "Zr2 B1 N1\n1.0\n5.621514 -1.675666 0.000000\n5.621514 1.675666 0.000000\n5.122030 0.000000 2.859035\nZr B N\n2 1 1\ndirect\n0.252383 0.252383 0.252383 Zr\n0.747617 0.747617 0.747617 Zr\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"B",
"N"
],
"chemical_system": "B-N-Zr",
"density": 6.389785993176241,
"density_atomic": 0.07426253488248495,
"volume": 53.862960728848115,
"volume_molar": 8.10925828148689,
"formula_full": "Zr2 B1 N1",
"formula_reduced": "Zr2BN",
"formula_anonymous": "ABC2",
"energy": -36.90838049,
"energy_per_atom": -9.2270951225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.54738049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.483000Z",
"spacegroup": 166
},
{
"id": "mp-1014138",
"created_at": "2022-09-04T14:41:24.493716Z",
"structure_string": "Zr2 B2\n1.0\n1.806237 -3.128494 0.000000\n1.806237 3.128494 0.000000\n0.000000 0.000000 5.240557\nZr B\n2 2\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.232647 B\n0.000000 0.000000 0.767353 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"B"
],
"chemical_system": "B-Zr",
"density": 5.72151125337928,
"density_atomic": 0.06753711204916199,
"volume": 59.22669593997886,
"volume_molar": 8.916787492506831,
"formula_full": "Zr2 B2",
"formula_reduced": "ZrB",
"formula_anonymous": "AB",
"energy": -32.09195565,
"energy_per_atom": -8.0229889125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.09195565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.740000Z",
"spacegroup": 187
},
{
"id": "mp-1014246",
"created_at": "2022-09-04T14:47:13.122179Z",
"structure_string": "Zr2 B2\n1.0\n1.809894 -3.134828 0.000000\n1.809894 3.134828 0.000000\n0.000000 0.000000 5.225519\nZr B\n2 2\ndirect\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"B"
],
"chemical_system": "B-Zr",
"density": 5.714812389732113,
"density_atomic": 0.06745803820228743,
"volume": 59.29612106425538,
"volume_molar": 8.927239689273673,
"formula_full": "Zr2 B2",
"formula_reduced": "ZrB",
"formula_anonymous": "AB",
"energy": -32.09785829,
"energy_per_atom": -8.0244645725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.09785829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.448000Z",
"spacegroup": 194
},
{
"id": "mp-1232384",
"created_at": "2022-09-04T14:40:22.699029Z",
"structure_string": "Zr2 B2 C2\n1.0\n1.482619 -2.567972 0.000000\n1.482619 2.567972 0.000000\n0.000000 0.000000 7.682072\nZr B C\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"B",
"C"
],
"chemical_system": "B-C-Zr",
"density": 6.4748512254828805,
"density_atomic": 0.10257063307093042,
"volume": 58.49627539932248,
"volume_molar": 5.87121340650742,
"formula_full": "Zr2 B2 C2",
"formula_reduced": "ZrBC",
"formula_anonymous": "ABC",
"energy": -50.80882688,
"energy_per_atom": -8.468137813333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.80882688,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.225000Z",
"spacegroup": 194
},
{
"id": "mp-1190085",
"created_at": "2022-09-04T14:44:10.972719Z",
"structure_string": "Zr2 B8 Ir6\n1.0\n3.821507 -6.619045 0.000000\n3.821507 6.619045 0.000000\n0.000000 0.000000 3.536954\nZr B Ir\n2 8 6\ndirect\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.396375 0.948658 0.750000 B\n0.051342 0.447717 0.750000 B\n0.552283 0.603625 0.750000 B\n0.603625 0.051342 0.250000 B\n0.948658 0.552283 0.250000 B\n0.447717 0.396375 0.250000 B\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.072780 0.742807 0.750000 Ir\n0.257193 0.329973 0.750000 Ir\n0.670027 0.927220 0.750000 Ir\n0.927220 0.257193 0.250000 Ir\n0.742807 0.670027 0.250000 Ir\n0.329973 0.072780 0.250000 Ir\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"B",
"Ir"
],
"chemical_system": "B-Ir-Zr",
"density": 13.19872484581921,
"density_atomic": 0.08941915927039018,
"volume": 178.93257027409965,
"volume_molar": 6.734732029620124,
"formula_full": "Zr2 B8 Ir6",
"formula_reduced": "ZrB4Ir3",
"formula_anonymous": "AB3C4",
"energy": -132.00626913,
"energy_per_atom": -8.250391820625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.00626913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002819,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.403000Z",
"spacegroup": 176
},
{
"id": "mp-2544",
"created_at": "2022-09-04T14:39:47.295342Z",
"structure_string": "Zr2 Be17\n1.0\n4.252007 -3.757837 0.000000\n4.252007 3.757837 0.000000\n0.930907 0.000000 5.597706\nZr Be\n2 17\ndirect\n0.162629 0.162629 0.162629 Zr\n0.837371 0.837371 0.837371 Zr\n0.403463 0.403463 0.403463 Be\n0.596537 0.596537 0.596537 Be\n0.500000 0.500000 0.000000 Be\n0.500000 0.000000 0.500000 Be\n0.000000 0.500000 0.500000 Be\n0.213308 0.786692 0.500000 Be\n0.786692 0.500000 0.213308 Be\n0.500000 0.213308 0.786692 Be\n0.786692 0.213308 0.500000 Be\n0.213308 0.500000 0.786692 Be\n0.500000 0.786692 0.213308 Be\n0.659439 0.157097 0.157097 Be\n0.157097 0.157097 0.659439 Be\n0.157097 0.659439 0.157097 Be\n0.842903 0.340561 0.842903 Be\n0.340561 0.842903 0.842903 Be\n0.842903 0.842903 0.340561 Be\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Zr",
"Be"
],
"chemical_system": "Be-Zr",
"density": 3.11580557750263,
"density_atomic": 0.10621396251622739,
"volume": 178.88420269695877,
"volume_molar": 5.66982025463925,
"formula_full": "Zr2 Be17",
"formula_reduced": "Zr2Be17",
"formula_anonymous": "A2B17",
"energy": -85.17318711999998,
"energy_per_atom": -4.482799322105262,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.17318711999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.022000Z",
"spacegroup": 166
}
]
}