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_full&page=119",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=117",
"results": [
{
"id": "mp-1186",
"created_at": "2022-09-04T14:46:22.545595Z",
"structure_string": "Zr1 S2\n1.0\n1.845460 -3.196430 0.000000\n1.845460 3.196430 0.000000\n0.000000 0.000000 6.611133\nZr S\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.779608 S\n0.333333 0.666667 0.220392 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"S"
],
"chemical_system": "S-Zr",
"density": 3.307469232923464,
"density_atomic": 0.03846321038451069,
"volume": 77.99660948759788,
"volume_molar": 15.65688537123553,
"formula_full": "Zr1 S2",
"formula_reduced": "ZrS2",
"formula_anonymous": "AB2",
"energy": -22.367417,
"energy_per_atom": -7.4558056666666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.361417,
"band_gap": 1.0418,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015906,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.584000Z",
"spacegroup": 164
},
{
"id": "mp-1925",
"created_at": "2022-09-04T14:47:10.563036Z",
"structure_string": "Zr1 S1\n1.0\n0.000000 2.623508 2.623508\n2.623508 0.000000 2.623508\n2.623508 2.623508 0.000000\nZr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"S"
],
"chemical_system": "S-Zr",
"density": 5.6688668086978575,
"density_atomic": 0.05537998342669354,
"volume": 36.114131428865434,
"volume_molar": 10.874219144488379,
"formula_full": "Zr1 S1",
"formula_reduced": "ZrS",
"formula_anonymous": "AB",
"energy": -15.87267105,
"energy_per_atom": -7.936335525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.36967105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.330000Z",
"spacegroup": 225
},
{
"id": "mp-10706",
"created_at": "2022-09-04T14:42:48.460476Z",
"structure_string": "Zr1 Ru3 C1\n1.0\n4.102527 0.000000 0.000000\n0.000000 4.102527 0.000000\n0.000000 0.000000 4.102527\nZr Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Ru",
"C"
],
"chemical_system": "C-Ru-Zr",
"density": 9.774537527634694,
"density_atomic": 0.07241285330533347,
"volume": 69.04851517060345,
"volume_molar": 8.316397552527388,
"formula_full": "Zr1 Ru3 C1",
"formula_reduced": "ZrRu3C",
"formula_anonymous": "ABC3",
"energy": -47.23188876,
"energy_per_atom": -9.446377752,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.23188876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.089000Z",
"spacegroup": 221
},
{
"id": "mp-1017544",
"created_at": "2022-09-04T14:47:05.977800Z",
"structure_string": "Zr1 Ru3\n1.0\n3.975697 0.000000 0.000000\n0.000000 3.975697 0.000000\n0.000000 0.000000 3.975697\nZr Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Ru"
],
"chemical_system": "Ru-Zr",
"density": 10.422780866850673,
"density_atomic": 0.06365318761820803,
"volume": 62.84052927548593,
"volume_molar": 9.460862818246927,
"formula_full": "Zr1 Ru3",
"formula_reduced": "ZrRu3",
"formula_anonymous": "AB3",
"energy": -36.97339844,
"energy_per_atom": -9.24334961,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.97339844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.311000Z",
"spacegroup": 221
},
{
"id": "mp-214",
"created_at": "2022-09-04T14:46:42.268181Z",
"structure_string": "Zr1 Ru1\n1.0\n3.282356 0.000000 0.000000\n0.000000 3.282356 0.000000\n0.000000 0.000000 3.282356\nZr Ru\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ru"
],
"chemical_system": "Ru-Zr",
"density": 9.02937695427734,
"density_atomic": 0.056555252907058436,
"volume": 35.36364700351977,
"volume_molar": 10.648243002107415,
"formula_full": "Zr1 Ru1",
"formula_reduced": "ZrRu",
"formula_anonymous": "AB",
"energy": -19.13700874,
"energy_per_atom": -9.56850437,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.13700874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.816000Z",
"spacegroup": 221
},
{
"id": "mp-229",
"created_at": "2022-09-04T14:44:08.899033Z",
"structure_string": "Zr1 Rh3\n1.0\n3.973411 0.000000 0.000000\n0.000000 3.973411 0.000000\n0.000000 0.000000 3.973411\nZr Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Rh"
],
"chemical_system": "Rh-Zr",
"density": 10.586539284709414,
"density_atomic": 0.0637631145191064,
"volume": 62.732192901295825,
"volume_molar": 9.444552395876906,
"formula_full": "Zr1 Rh3",
"formula_reduced": "ZrRh3",
"formula_anonymous": "AB3",
"energy": -33.33430362,
"energy_per_atom": -8.333575905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.33430362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056767,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.701000Z",
"spacegroup": 221
},
{
"id": "mp-1215257",
"created_at": "2022-09-04T14:40:00.744917Z",
"structure_string": "Zr1 Rh1\n1.0\n3.384336 0.000000 0.000000\n0.000000 3.384336 0.000000\n0.000000 0.000000 3.145621\nZr Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Rh"
],
"chemical_system": "Rh-Zr",
"density": 8.947202991947536,
"density_atomic": 0.05551069347463569,
"volume": 36.02909412244783,
"volume_molar": 10.848613813033475,
"formula_full": "Zr1 Rh1",
"formula_reduced": "ZrRh",
"formula_anonymous": "AB",
"energy": -17.40272455,
"energy_per_atom": -8.701362275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.40272455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.994000Z",
"spacegroup": 123
},
{
"id": "mp-2808",
"created_at": "2022-09-04T14:42:05.126075Z",
"structure_string": "Zr1 Rh1\n1.0\n3.307679 0.000000 0.000000\n0.000000 3.307679 0.000000\n0.000000 0.000000 3.307679\nZr Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Rh"
],
"chemical_system": "Rh-Zr",
"density": 8.907802212604166,
"density_atomic": 0.055266241148388025,
"volume": 36.1884571565138,
"volume_molar": 10.896599144187773,
"formula_full": "Zr1 Rh1",
"formula_reduced": "ZrRh",
"formula_anonymous": "AB",
"energy": -17.41397952,
"energy_per_atom": -8.70698976,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.41397952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003124,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.712000Z",
"spacegroup": 221
},
{
"id": "mp-1205768",
"created_at": "2022-09-04T14:43:07.296368Z",
"structure_string": "Zr1 Pt8\n1.0\n-4.249480 4.249480 2.013244\n4.249480 -4.249480 2.013244\n4.249480 4.249480 -2.013244\nZr Pt\n1 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.332704 0.000000 0.332704 Pt\n0.667296 0.000000 0.667296 Pt\n0.000000 0.332704 0.332704 Pt\n0.000000 0.667296 0.667296 Pt\n0.334646 0.334646 0.669292 Pt\n0.665354 0.665354 0.330708 Pt\n0.665354 0.334646 0.000000 Pt\n0.334646 0.665354 0.000000 Pt\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 18.86269815171574,
"density_atomic": 0.06188915106038859,
"volume": 145.42128702360472,
"volume_molar": 9.7305273328501,
"formula_full": "Zr1 Pt8",
"formula_reduced": "ZrPt8",
"formula_anonymous": "AB8",
"energy": -61.45717819,
"energy_per_atom": -6.828575354444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.45717819,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.280000Z",
"spacegroup": 139
},
{
"id": "mp-30858",
"created_at": "2022-09-04T14:48:25.621915Z",
"structure_string": "Zr1 Pt3\n1.0\n4.056301 0.000000 0.000000\n0.000000 4.056301 0.000000\n0.000000 0.000000 4.056301\nZr Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 16.83104057865934,
"density_atomic": 0.05993347615406067,
"volume": 66.74066409426825,
"volume_molar": 10.048041839789034,
"formula_full": "Zr1 Pt3",
"formula_reduced": "ZrPt3",
"formula_anonymous": "AB3",
"energy": -30.78821475,
"energy_per_atom": -7.6970536875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.78821475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004666,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:07.214000Z",
"spacegroup": 221
},
{
"id": "mp-961709",
"created_at": "2022-09-04T14:41:51.084272Z",
"structure_string": "Zr1 Pt1 Pb1\n1.0\n0.000000 3.344850 3.344850\n3.344850 0.000000 3.344850\n3.344850 3.344850 0.000000\nZr Pt Pb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Pt",
"Pb"
],
"chemical_system": "Pb-Pt-Zr",
"density": 10.949224467993146,
"density_atomic": 0.04008310158004178,
"volume": 74.84450757906826,
"volume_molar": 15.024138658467864,
"formula_full": "Zr1 Pt1 Pb1",
"formula_reduced": "ZrPtPb",
"formula_anonymous": "ABC",
"energy": -18.68443622,
"energy_per_atom": -6.228145406666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.68443622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.188000Z",
"spacegroup": 216
},
{
"id": "mp-11554",
"created_at": "2022-09-04T14:48:14.460595Z",
"structure_string": "Zr1 Pt1\n1.0\n3.360111 0.000000 0.000000\n0.000000 3.360111 0.000000\n0.000000 0.000000 3.360111\nZr Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 12.532038128389965,
"density_atomic": 0.05271923777535524,
"volume": 37.93681556099705,
"volume_molar": 11.423042164724128,
"formula_full": "Zr1 Pt1",
"formula_reduced": "ZrPt",
"formula_anonymous": "AB",
"energy": -16.43640662,
"energy_per_atom": -8.21820331,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.43640662,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012704,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.278000Z",
"spacegroup": 221
}
]
}