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=elements&page=1771",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=1769",
"results": [
{
"id": "mp-930",
"created_at": "2022-09-04T14:42:24.699971Z",
"structure_string": "Zr1 P1\n1.0\n0.000000 2.650352 2.650352\n2.650352 0.000000 2.650352\n2.650352 2.650352 0.000000\nZr P\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"P"
],
"chemical_system": "P-Zr",
"density": 5.449688528138726,
"density_atomic": 0.05371422665817742,
"volume": 37.23408349016082,
"volume_molar": 11.211444592367029,
"formula_full": "Zr1 P1",
"formula_reduced": "ZrP",
"formula_anonymous": "AB",
"energy": -16.62322252,
"energy_per_atom": -8.31161126,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.62322252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.12e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.235000Z",
"spacegroup": 225
},
{
"id": "mp-28511",
"created_at": "2022-09-04T14:39:39.239887Z",
"structure_string": "Zr36 P18\n1.0\n9.577164 -14.809880 0.000000\n9.577164 14.809880 0.000000\n0.000000 0.000000 3.637722\nZr P\n36 18\ndirect\n0.461786 0.699316 0.000000 Zr\n0.538214 0.300684 0.000000 Zr\n0.250609 0.250609 0.500000 Zr\n0.749391 0.749391 0.500000 Zr\n0.106622 0.106622 0.000000 Zr\n0.893378 0.893378 0.000000 Zr\n0.384225 0.384225 0.000000 Zr\n0.615775 0.615775 0.000000 Zr\n0.942179 0.057821 0.500000 Zr\n0.057821 0.942179 0.500000 Zr\n0.692414 0.307586 0.500000 Zr\n0.307586 0.692414 0.500000 Zr\n0.552206 0.447794 0.500000 Zr\n0.447794 0.552206 0.500000 Zr\n0.778855 0.221145 0.000000 Zr\n0.221145 0.778855 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.500000 0.000000 0.000000 Zr\n0.300684 0.538214 0.000000 Zr\n0.699316 0.461786 0.000000 Zr\n0.789128 0.031577 0.000000 Zr\n0.210872 0.968423 0.000000 Zr\n0.031577 0.789128 0.000000 Zr\n0.968423 0.210872 0.000000 Zr\n0.669410 0.834710 0.000000 Zr\n0.330590 0.165290 0.000000 Zr\n0.834710 0.669410 0.000000 Zr\n0.165290 0.330590 0.000000 Zr\n0.481362 0.141254 0.500000 Zr\n0.518638 0.858746 0.500000 Zr\n0.141254 0.481362 0.500000 Zr\n0.858746 0.518638 0.500000 Zr\n0.654292 0.085991 0.500000 Zr\n0.345708 0.914009 0.500000 Zr\n0.085991 0.654292 0.500000 Zr\n0.914009 0.345708 0.500000 Zr\n0.155300 0.844700 0.500000 P\n0.844700 0.155300 0.500000 P\n0.608229 0.178005 0.000000 P\n0.391771 0.821995 0.000000 P\n0.178005 0.608229 0.000000 P\n0.821995 0.391771 0.000000 P\n0.627251 0.961022 0.000000 P\n0.372749 0.038978 0.000000 P\n0.961022 0.627251 0.000000 P\n0.038978 0.372749 0.000000 P\n0.580590 0.718425 0.500000 P\n0.419410 0.281575 0.500000 P\n0.718425 0.580590 0.500000 P\n0.281575 0.419410 0.500000 P\n0.792009 0.918216 0.500000 P\n0.207991 0.081784 0.500000 P\n0.918216 0.792009 0.500000 P\n0.081784 0.207991 0.500000 P\n",
"nsites": 54,
"nelements": 2,
"elements": [
"Zr",
"P"
],
"chemical_system": "P-Zr",
"density": 6.1817628101093405,
"density_atomic": 0.052329404627832574,
"volume": 1031.9246011692417,
"volume_molar": 11.508139262866731,
"formula_full": "Zr36 P18",
"formula_reduced": "Zr2P",
"formula_anonymous": "AB2",
"energy": -463.43586208,
"energy_per_atom": -8.582145594074074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -463.43586208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.060639,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.258000Z",
"spacegroup": 65
},
{
"id": "mp-1187844",
"created_at": "2022-09-04T14:48:27.045983Z",
"structure_string": "Zr3 Pb1\n1.0\n-2.200531 2.200531 4.834293\n2.200531 -2.200531 4.834293\n2.200531 2.200531 -4.834293\nZr Pb\n3 1\ndirect\n0.750000 0.250000 0.500000 Zr\n0.250000 0.750000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Pb"
],
"chemical_system": "Pb-Zr",
"density": 8.527675088724052,
"density_atomic": 0.042718111894715326,
"volume": 93.63709730098913,
"volume_molar": 14.097394507609316,
"formula_full": "Zr3 Pb1",
"formula_reduced": "Zr3Pb",
"formula_anonymous": "AB3",
"energy": -29.91192345,
"energy_per_atom": -7.4779808625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.91192345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:23.730000Z",
"spacegroup": 139
},
{
"id": "mp-1207529",
"created_at": "2022-09-04T14:46:58.261318Z",
"structure_string": "Zr4 Pb4\n1.0\n-0.172698 0.000000 6.937442\n3.511528 0.000000 -2.010626\n0.000000 8.769808 0.000000\nZr Pb\n4 4\ndirect\n0.270794 0.021956 0.127606 Zr\n0.729206 0.978044 0.872394 Zr\n0.229206 0.978044 0.627606 Zr\n0.770794 0.021956 0.372394 Zr\n0.268596 0.516304 0.378167 Pb\n0.731404 0.483696 0.621833 Pb\n0.231404 0.483696 0.878167 Pb\n0.768596 0.516304 0.121833 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Pb"
],
"chemical_system": "Pb-Zr",
"density": 9.41221911349801,
"density_atomic": 0.03798736588547531,
"volume": 210.596334163271,
"volume_molar": 15.853009598390186,
"formula_full": "Zr4 Pb4",
"formula_reduced": "ZrPb",
"formula_anonymous": "AB",
"energy": -49.17092708,
"energy_per_atom": -6.146365885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.17092708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.621000Z",
"spacegroup": 14
},
{
"id": "mp-681992",
"created_at": "2022-09-04T14:44:30.468249Z",
"structure_string": "Zr10 Pb6\n1.0\n4.496087 -7.787452 0.000000\n4.496087 7.787452 0.000000\n0.000000 0.000000 6.213825\nZr Pb\n10 6\ndirect\n0.752388 0.752388 0.250000 Zr\n0.000000 0.247612 0.250000 Zr\n0.752388 0.000000 0.750000 Zr\n0.333333 0.666667 0.500000 Zr\n0.247612 0.000000 0.250000 Zr\n0.666667 0.333333 0.500000 Zr\n0.000000 0.752388 0.750000 Zr\n0.333333 0.666667 0.000000 Zr\n0.247612 0.247612 0.750000 Zr\n0.666667 0.333333 0.000000 Zr\n0.610357 0.610357 0.750000 Pb\n0.389643 0.000000 0.750000 Pb\n0.610357 0.000000 0.250000 Pb\n0.000000 0.389643 0.750000 Pb\n0.389643 0.389643 0.250000 Pb\n0.000000 0.610357 0.250000 Pb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zr",
"Pb"
],
"chemical_system": "Pb-Zr",
"density": 8.225568677394543,
"density_atomic": 0.03677061383174509,
"volume": 435.1300762400316,
"volume_molar": 16.37759105016876,
"formula_full": "Zr10 Pb6",
"formula_reduced": "Zr5Pb3",
"formula_anonymous": "A3B5",
"energy": -110.0881661,
"energy_per_atom": -6.88051038125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.0881661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000477,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.571000Z",
"spacegroup": 193
},
{
"id": "mp-30842",
"created_at": "2022-09-04T14:47:13.406832Z",
"structure_string": "Zr4 Pd12\n1.0\n2.856032 -4.946792 0.000000\n2.856032 4.946792 0.000000\n0.000000 0.000000 9.359753\nZr Pd\n4 12\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.830330 0.169670 0.250000 Pd\n0.830330 0.660659 0.250000 Pd\n0.339341 0.169670 0.250000 Pd\n0.169670 0.830330 0.750000 Pd\n0.169670 0.339341 0.750000 Pd\n0.660659 0.830330 0.750000 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 10.309182310738658,
"density_atomic": 0.06049770224147587,
"volume": 264.4728544587725,
"volume_molar": 9.954329729685758,
"formula_full": "Zr4 Pd12",
"formula_reduced": "ZrPd3",
"formula_anonymous": "AB3",
"energy": -109.4589055,
"energy_per_atom": -6.84118159375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.4589055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.51e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.813000Z",
"spacegroup": 194
},
{
"id": "mp-13495",
"created_at": "2022-09-04T14:47:13.957789Z",
"structure_string": "Zr2 Pd2\n1.0\n1.670534 -5.221097 0.000000\n1.670534 5.221097 0.000000\n0.000000 0.000000 4.441156\nZr Pd\n2 2\ndirect\n0.857752 0.142248 0.750000 Zr\n0.142248 0.857752 0.250000 Zr\n0.588457 0.411543 0.750000 Pd\n0.411543 0.588457 0.250000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 8.472656953462202,
"density_atomic": 0.05163175487500231,
"volume": 77.47170340585525,
"volume_molar": 11.663637570675792,
"formula_full": "Zr2 Pd2",
"formula_reduced": "ZrPd",
"formula_anonymous": "AB",
"energy": -30.06300801,
"energy_per_atom": -7.5157520025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.06300801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000363,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.918000Z",
"spacegroup": 63
},
{
"id": "mp-12712",
"created_at": "2022-09-04T14:42:50.172792Z",
"structure_string": "Zr6 Pd8\n1.0\n4.104472 -6.331310 0.000000\n4.104472 6.331310 0.000000\n-5.661824 0.000000 4.987578\nZr Pd\n6 8\ndirect\n0.396734 0.265402 0.004657 Zr\n0.004657 0.396734 0.265402 Zr\n0.265402 0.004657 0.396734 Zr\n0.603266 0.734598 0.995343 Zr\n0.995343 0.603266 0.734598 Zr\n0.734598 0.995343 0.603266 Zr\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.922706 0.761947 0.440553 Pd\n0.440553 0.922706 0.761947 Pd\n0.761947 0.440553 0.922706 Pd\n0.077294 0.238053 0.559447 Pd\n0.559447 0.077294 0.238053 Pd\n0.238053 0.559447 0.077294 Pd\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 8.95992433881535,
"density_atomic": 0.05400792149040808,
"volume": 259.2212329905425,
"volume_molar": 11.150476807498592,
"formula_full": "Zr6 Pd8",
"formula_reduced": "Zr3Pd4",
"formula_anonymous": "A3B4",
"energy": -102.4513659,
"energy_per_atom": -7.3179547071428575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.4513659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.98e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.113000Z",
"spacegroup": 148
},
{
"id": "mp-13496",
"created_at": "2022-09-04T14:45:08.634721Z",
"structure_string": "Zr1 Pd1\n1.0\n3.360046 0.000000 0.000000\n0.000000 3.360046 0.000000\n0.000000 0.000000 3.360046\nZr Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 8.651612572071873,
"density_atomic": 0.05272229739127676,
"volume": 37.93461398612938,
"volume_molar": 11.42237925503679,
"formula_full": "Zr1 Pd1",
"formula_reduced": "ZrPd",
"formula_anonymous": "AB",
"energy": -14.90245204,
"energy_per_atom": -7.45122602,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.90245204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009326,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.229000Z",
"spacegroup": 221
},
{
"id": "mp-266",
"created_at": "2022-09-04T14:46:55.360391Z",
"structure_string": "Zr2 Pd1\n1.0\n-1.679001 1.679001 5.421953\n1.679001 -1.679001 5.421953\n1.679001 1.679001 -5.421953\nZr Pd\n2 1\ndirect\n0.656695 0.656695 0.000000 Zr\n0.343305 0.343305 0.000000 Zr\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 7.845685271874635,
"density_atomic": 0.04906859300671839,
"volume": 61.13890405598638,
"volume_molar": 12.272902871242831,
"formula_full": "Zr2 Pd1",
"formula_reduced": "Zr2Pd",
"formula_anonymous": "AB2",
"energy": -23.73938079,
"energy_per_atom": -7.91312693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.73938079,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.409000Z",
"spacegroup": 139
},
{
"id": "mp-1018102",
"created_at": "2022-09-04T14:42:48.165523Z",
"structure_string": "Zr1 Pd2\n1.0\n-1.738659 1.738659 4.370771\n1.738659 -1.738659 4.370771\n1.738659 1.738659 -4.370771\nZr Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.662636 0.662636 0.000000 Pd\n0.337364 0.337364 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 9.553603912923345,
"density_atomic": 0.05676418209534182,
"volume": 52.85022859945666,
"volume_molar": 10.60905052747019,
"formula_full": "Zr1 Pd2",
"formula_reduced": "ZrPd2",
"formula_anonymous": "AB2",
"energy": -21.17221784,
"energy_per_atom": -7.057405946666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.17221784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018257,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.011000Z",
"spacegroup": 139
},
{
"id": "mp-1207436",
"created_at": "2022-09-04T14:43:22.214067Z",
"structure_string": "Zr9 Pd11\n1.0\n-5.225874 5.225874 3.440475\n5.225874 -5.225874 3.440475\n5.225874 5.225874 -3.440475\nZr Pd\n9 11\ndirect\n0.239286 0.415293 0.654579 Zr\n0.760714 0.584707 0.345421 Zr\n0.584707 0.239286 0.823993 Zr\n0.415293 0.760714 0.176007 Zr\n0.306551 0.094812 0.401363 Zr\n0.693449 0.905188 0.598637 Zr\n0.905188 0.306551 0.211739 Zr\n0.094812 0.693449 0.788261 Zr\n0.000000 0.000000 0.000000 Zr\n0.325510 0.434758 0.334623 Pd\n0.674490 0.565242 0.665377 Pd\n0.100135 0.990886 0.665377 Pd\n0.990886 0.325510 0.890752 Pd\n0.899865 0.009114 0.334623 Pd\n0.009114 0.674490 0.109248 Pd\n0.434758 0.100135 0.109248 Pd\n0.565242 0.899865 0.890752 Pd\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 8.799597321739279,
"density_atomic": 0.05321495867833881,
"volume": 375.8341732611552,
"volume_molar": 11.316631468984522,
"formula_full": "Zr9 Pd11",
"formula_reduced": "Zr9Pd11",
"formula_anonymous": "A9B11",
"energy": -146.80011923,
"energy_per_atom": -7.3400059615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.80011923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0132041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.092000Z",
"spacegroup": 87
}
]
}