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=122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=120",
"results": [
{
"id": "mp-19877",
"created_at": "2022-09-04T14:40:55.969713Z",
"structure_string": "Zr1 Ni2 Sn1\n1.0\n0.000000 3.159187 3.159187\n3.159187 0.000000 3.159187\n3.159187 3.159187 0.000000\nZr Ni Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Zr",
"density": 8.619194972967739,
"density_atomic": 0.06343135588454353,
"volume": 63.060294774097514,
"volume_molar": 9.49394928741769,
"formula_full": "Zr1 Ni2 Sn1",
"formula_reduced": "ZrNi2Sn",
"formula_anonymous": "ABC2",
"energy": -26.10544582,
"energy_per_atom": -6.526361455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.10544582,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009309,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.787000Z",
"spacegroup": 225
},
{
"id": "mp-19904",
"created_at": "2022-09-04T14:48:23.383045Z",
"structure_string": "Zr1 Ni2 Sb1\n1.0\n0.000000 3.160798 3.160798\n3.160798 0.000000 3.160798\n3.160798 3.160798 0.000000\nZr Ni Sb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Sb"
],
"chemical_system": "Ni-Sb-Zr",
"density": 8.686214128362218,
"density_atomic": 0.06333441595997596,
"volume": 63.15681512762019,
"volume_molar": 9.508480766295653,
"formula_full": "Zr1 Ni2 Sb1",
"formula_reduced": "ZrNi2Sb",
"formula_anonymous": "ABC2",
"energy": -26.07454938,
"energy_per_atom": -6.518637345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.88254938,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006988,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:55.762000Z",
"spacegroup": 225
},
{
"id": "mp-10259",
"created_at": "2022-09-04T14:45:22.075907Z",
"structure_string": "Zr1 Ni2 P2\n1.0\n-1.851315 1.851315 4.783766\n1.851315 -1.851315 4.783766\n1.851315 1.851315 -4.783766\nZr Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.617741 0.617741 0.000000 P\n0.382259 0.382259 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"P"
],
"chemical_system": "Ni-P-Zr",
"density": 6.850455324682755,
"density_atomic": 0.0762393957052818,
"volume": 65.58289128272305,
"volume_molar": 7.898988055046704,
"formula_full": "Zr1 Ni2 P2",
"formula_reduced": "Zr(NiP)2",
"formula_anonymous": "AB2C2",
"energy": -35.13312397,
"energy_per_atom": -7.026624794,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.13312397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.494000Z",
"spacegroup": 139
},
{
"id": "mp-568470",
"created_at": "2022-09-04T14:43:40.057190Z",
"structure_string": "Zr1 Ni1 Sn1\n1.0\n0.000000 3.233674 3.233674\n3.233674 0.000000 3.233674\n3.233674 3.233674 0.000000\nZr Ni Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Zr",
"density": 6.596000898861215,
"density_atomic": 0.044361125350305876,
"volume": 67.62677854337423,
"volume_molar": 13.57526598445158,
"formula_full": "Zr1 Ni1 Sn1",
"formula_reduced": "ZrNiSn",
"formula_anonymous": "ABC",
"energy": -17.72149863,
"energy_per_atom": -5.90716621,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.72149863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0411833,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.187000Z",
"spacegroup": 216
},
{
"id": "mp-30806",
"created_at": "2022-09-04T14:46:54.437500Z",
"structure_string": "Zr1 Ni1 Sn1\n1.0\n0.000000 3.181173 3.181173\n3.181173 0.000000 3.181173\n3.181173 3.181173 0.000000\nZr Ni Sn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ni\n0.750000 0.750000 0.750000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Zr",
"density": 6.927994706690768,
"density_atomic": 0.046593935677423155,
"volume": 64.38606132715323,
"volume_molar": 12.92473080980364,
"formula_full": "Zr1 Ni1 Sn1",
"formula_reduced": "ZrNiSn",
"formula_anonymous": "ABC",
"energy": -18.11348342,
"energy_per_atom": -6.037827806666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.11348342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035501,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.826000Z",
"spacegroup": 216
},
{
"id": "mp-924129",
"created_at": "2022-09-04T14:45:43.294239Z",
"structure_string": "Zr1 Ni1 Sn1\n1.0\n0.000000 3.081320 3.081320\n3.081320 0.000000 3.081320\n3.081320 3.081320 0.000000\nZr Ni Sn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Zr",
"density": 7.623580700345458,
"density_atomic": 0.051272069887768716,
"volume": 58.51138849215193,
"volume_molar": 11.745460585426104,
"formula_full": "Zr1 Ni1 Sn1",
"formula_reduced": "ZrNiSn",
"formula_anonymous": "ABC",
"energy": -20.39001019,
"energy_per_atom": -6.796670063333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.39001019,
"band_gap": 0.5044000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.955000Z",
"spacegroup": 216
},
{
"id": "mp-1104005",
"created_at": "2022-09-04T14:47:12.605382Z",
"structure_string": "Zr1 Ni1 O6 F6\n1.0\n3.981409 -4.423254 0.000000\n3.981409 4.423254 0.000000\n-0.932723 0.000000 5.877655\nZr Ni O F\n1 1 6 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ni\n0.788663 0.440240 0.601973 O\n0.440240 0.601973 0.788663 O\n0.601973 0.788663 0.440240 O\n0.211337 0.559760 0.398027 O\n0.559760 0.398027 0.211337 O\n0.398027 0.211337 0.559760 O\n0.713824 0.813905 0.073050 F\n0.813905 0.073050 0.713824 F\n0.073050 0.713824 0.813905 F\n0.286176 0.186095 0.926950 F\n0.186095 0.926950 0.286176 F\n0.926950 0.286176 0.186095 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zr",
"Ni",
"O",
"F"
],
"chemical_system": "F-Ni-O-Zr",
"density": 2.886843735796052,
"density_atomic": 0.06762624545840372,
"volume": 207.02021685665324,
"volume_molar": 8.905034900546362,
"formula_full": "Zr1 Ni1 O6 F6",
"formula_reduced": "ZrNi(OF)6",
"formula_anonymous": "ABC6D6",
"energy": -69.69566528,
"energy_per_atom": -4.978261805714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.26066528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0003242,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.540000Z",
"spacegroup": 148
},
{
"id": "mp-1188025",
"created_at": "2022-09-04T14:41:13.614736Z",
"structure_string": "Zr1 Ni1 O3\n1.0\n3.690521 0.000000 0.000000\n0.000000 3.690521 0.000000\n0.000000 0.000000 3.690521\nZr Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ni\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",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zr",
"density": 6.538318643506497,
"density_atomic": 0.09947339981925488,
"volume": 50.26469396929328,
"volume_molar": 6.054021246828144,
"formula_full": "Zr1 Ni1 O3",
"formula_reduced": "ZrNiO3",
"formula_anonymous": "ABC3",
"energy": -38.00268932,
"energy_per_atom": -7.6005378640000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.40068932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6399918,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.088000Z",
"spacegroup": 221
},
{
"id": "mp-961662",
"created_at": "2022-09-04T14:41:14.302876Z",
"structure_string": "Zr1 Ni1 Ge1\n1.0\n0.000000 3.091345 3.091345\n3.091345 0.000000 3.091345\n3.091345 3.091345 0.000000\nZr Ni Ge\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Zr",
"density": 6.254876127803311,
"density_atomic": 0.050774871324448155,
"volume": 59.08434471118978,
"volume_molar": 11.860474685438213,
"formula_full": "Zr1 Ni1 Ge1",
"formula_reduced": "ZrNiGe",
"formula_anonymous": "ABC",
"energy": -18.82299134,
"energy_per_atom": -6.274330446666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.82299134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0148602,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.767000Z",
"spacegroup": 216
},
{
"id": "mp-1206530",
"created_at": "2022-09-04T14:39:27.919944Z",
"structure_string": "Zr1 Ni1 F6\n1.0\n0.000000 4.055489 4.055489\n4.055489 0.000000 4.055489\n4.055489 4.055489 0.000000\nZr Ni F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ni\n0.748874 0.251126 0.251126 F\n0.251126 0.748874 0.748874 F\n0.251126 0.748874 0.251126 F\n0.748874 0.251126 0.748874 F\n0.251126 0.251126 0.748874 F\n0.748874 0.748874 0.251126 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"F"
],
"chemical_system": "F-Ni-Zr",
"density": 3.285047672498348,
"density_atomic": 0.05996948344736889,
"volume": 133.40118240339777,
"volume_molar": 10.042008724796206,
"formula_full": "Zr1 Ni1 F6",
"formula_reduced": "ZrNiF6",
"formula_anonymous": "ABC6",
"energy": -53.02501105,
"energy_per_atom": -6.62812638125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.71201105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001255,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.787000Z",
"spacegroup": 225
},
{
"id": "mp-31452",
"created_at": "2022-09-04T14:46:16.692718Z",
"structure_string": "Zr1 Ni1 Bi1\n1.0\n0.000000 3.145945 3.145945\n3.145945 0.000000 3.145945\n3.145945 3.145945 0.000000\nZr Ni Bi\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Bi"
],
"chemical_system": "Bi-Ni-Zr",
"density": 9.570541724600924,
"density_atomic": 0.04817679247539333,
"volume": 62.27064621481958,
"volume_molar": 12.50008655739349,
"formula_full": "Zr1 Ni1 Bi1",
"formula_reduced": "ZrNiBi",
"formula_anonymous": "ABC",
"energy": -19.14162643,
"energy_per_atom": -6.380542143333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.14162643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006907,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.811000Z",
"spacegroup": 216
},
{
"id": "mp-1215243",
"created_at": "2022-09-04T14:41:12.133660Z",
"structure_string": "Zr1 Nb4 C1 N4\n1.0\n13.044620 -1.590717 0.000000\n13.044620 1.590717 0.000000\n12.850641 0.000000 2.748366\nZr Nb C N\n1 4 1 4\ndirect\n0.699356 0.699356 0.699356 Zr\n0.299636 0.299636 0.299636 Nb\n0.899247 0.899247 0.899247 Nb\n0.500079 0.500079 0.500079 Nb\n0.102518 0.102518 0.102518 Nb\n0.997839 0.997839 0.997839 C\n0.597704 0.597704 0.597704 N\n0.199231 0.199231 0.199231 N\n0.801594 0.801594 0.801594 N\n0.402794 0.402794 0.402794 N\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zr",
"Nb",
"C",
"N"
],
"chemical_system": "C-N-Nb-Zr",
"density": 7.728981841874186,
"density_atomic": 0.08767405275671529,
"volume": 114.05883138251598,
"volume_molar": 6.868783375066166,
"formula_full": "Zr1 Nb4 C1 N4",
"formula_reduced": "ZrNb4CN4",
"formula_anonymous": "ABC4D4",
"energy": -102.06541597,
"energy_per_atom": -10.206541597000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.62141597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.310000Z",
"spacegroup": 160
}
]
}