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=12168",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=12166",
"results": [
{
"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-1017545",
"created_at": "2022-09-04T14:46:16.349694Z",
"structure_string": "Zr2 Rh2\n1.0\n3.161393 0.000000 0.000000\n0.000000 4.770603 0.000000\n0.000000 0.000000 4.781562\nZr Rh\n2 2\ndirect\n0.500000 0.750000 0.245889 Zr\n0.500000 0.250000 0.754111 Zr\n0.000000 0.250000 0.260468 Rh\n0.000000 0.750000 0.739532 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Rh"
],
"chemical_system": "Rh-Zr",
"density": 8.940237855997198,
"density_atomic": 0.055467480022666805,
"volume": 72.11432714025224,
"volume_molar": 10.857065721282181,
"formula_full": "Zr2 Rh2",
"formula_reduced": "ZrRh",
"formula_anonymous": "AB",
"energy": -34.80858181,
"energy_per_atom": -8.7021454525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.80858181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.122000Z",
"spacegroup": 51
},
{
"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-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-569979",
"created_at": "2022-09-04T14:41:11.906437Z",
"structure_string": "Zr4 Ru8\n1.0\n2.599985 -4.503306 0.000000\n2.599985 4.503306 0.000000\n0.000000 0.000000 8.585561\nZr Ru\n4 8\ndirect\n0.333333 0.666667 0.433681 Zr\n0.666667 0.333333 0.566319 Zr\n0.666667 0.333333 0.933681 Zr\n0.333333 0.666667 0.066319 Zr\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.828121 0.171879 0.250000 Ru\n0.828121 0.656243 0.250000 Ru\n0.343757 0.171879 0.250000 Ru\n0.171879 0.828121 0.750000 Ru\n0.171879 0.343757 0.750000 Ru\n0.656243 0.828121 0.750000 Ru\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Ru"
],
"chemical_system": "Ru-Zr",
"density": 9.692034084217662,
"density_atomic": 0.05968707154870411,
"volume": 201.04856359401228,
"volume_molar": 10.089522912991278,
"formula_full": "Zr4 Ru8",
"formula_reduced": "ZrRu2",
"formula_anonymous": "AB2",
"energy": -112.84354849,
"energy_per_atom": -9.403629040833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.84354849,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005983,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.139000Z",
"spacegroup": 194
},
{
"id": "mp-1188033",
"created_at": "2022-09-04T14:46:56.890616Z",
"structure_string": "Zr2 Ru6\n1.0\n2.856050 -4.946824 0.000000\n2.856050 4.946824 0.000000\n0.000000 0.000000 4.447447\nZr Ru\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.163719 0.327437 0.250000 Ru\n0.672563 0.836281 0.250000 Ru\n0.163719 0.836281 0.250000 Ru\n0.836281 0.672563 0.750000 Ru\n0.327437 0.163719 0.750000 Ru\n0.836281 0.163719 0.750000 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ru"
],
"chemical_system": "Ru-Zr",
"density": 10.423663780896627,
"density_atomic": 0.06365857968143336,
"volume": 125.6704130069254,
"volume_molar": 9.460061456187995,
"formula_full": "Zr2 Ru6",
"formula_reduced": "ZrRu3",
"formula_anonymous": "AB3",
"energy": -73.81574443,
"energy_per_atom": -9.22696805375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.81574443,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0656433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.822000Z",
"spacegroup": 194
},
{
"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-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-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-7859",
"created_at": "2022-09-04T14:43:03.606682Z",
"structure_string": "Zr2 S2\n1.0\n3.583874 0.000000 0.000000\n0.000000 3.583874 0.000000\n0.000000 0.000000 5.655337\nZr S\n2 2\ndirect\n0.000000 0.500000 0.818057 Zr\n0.500000 0.000000 0.181943 Zr\n0.000000 0.500000 0.308877 S\n0.500000 0.000000 0.691123 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"S"
],
"chemical_system": "S-Zr",
"density": 5.636888813277663,
"density_atomic": 0.055067585743673,
"volume": 72.63801283424851,
"volume_molar": 10.935908445363276,
"formula_full": "Zr2 S2",
"formula_reduced": "ZrS",
"formula_anonymous": "AB",
"energy": -32.10843836,
"energy_per_atom": -8.02710959,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.10243836,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.24e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.648000Z",
"spacegroup": 129
},
{
"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-1207105",
"created_at": "2022-09-04T14:39:13.622941Z",
"structure_string": "Zr1 S2 N1\n1.0\n8.301249 -1.850028 0.000000\n8.301249 1.850028 0.000000\n7.888949 0.000000 3.177706\nZr S N\n1 2 1\ndirect\n0.996874 0.996874 0.996874 Zr\n0.389091 0.389091 0.389091 S\n0.604500 0.604500 0.604500 S\n0.169535 0.169535 0.169535 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"S",
"N"
],
"chemical_system": "N-S-Zr",
"density": 2.8813517903928294,
"density_atomic": 0.040982131195301114,
"volume": 97.60351361274807,
"volume_molar": 14.694552441163626,
"formula_full": "Zr1 S2 N1",
"formula_reduced": "ZrS2N",
"formula_anonymous": "ABC2",
"energy": -25.85969803,
"energy_per_atom": -6.4649245075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.49269803,
"band_gap": 0.9912,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0011585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.538000Z",
"spacegroup": 160
}
]
}