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=1717",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=1715",
"results": [
{
"id": "mp-11665",
"created_at": "2022-09-04T14:44:57.723971Z",
"structure_string": "Ce2 Zn6 Ge3\n1.0\n3.838779 -6.648960 0.000000\n3.838779 6.648960 0.000000\n0.000000 0.000000 4.090408\nCe Zn Ge\n2 6 3\ndirect\n0.666667 0.333333 0.000000 Ce\n0.333333 0.666667 0.000000 Ce\n0.718670 0.000000 0.500000 Zn\n0.000000 0.718670 0.500000 Zn\n0.190362 0.000000 0.000000 Zn\n0.809638 0.809638 0.000000 Zn\n0.281330 0.281330 0.500000 Zn\n0.000000 0.190362 0.000000 Zn\n0.388713 0.000000 0.500000 Ge\n0.611287 0.611287 0.500000 Ge\n0.000000 0.388713 0.500000 Ge\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Ge"
],
"chemical_system": "Ce-Ge-Zn",
"density": 7.082576249571229,
"density_atomic": 0.052680420125621866,
"volume": 208.8062314949154,
"volume_molar": 11.431459251159325,
"formula_full": "Ce2 Zn6 Ge3",
"formula_reduced": "Ce2(Zn2Ge)3",
"formula_anonymous": "A2B3C6",
"energy": -37.54121187,
"energy_per_atom": -3.4128374427272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.54121187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9299474,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.375000Z",
"spacegroup": 189
},
{
"id": "mp-17587",
"created_at": "2022-09-04T14:42:26.683485Z",
"structure_string": "Ce4 Zn4 Ni10\n1.0\n4.927555 -0.005582 11.781294\n2.360015 4.325640 11.781294\n-0.009417 -0.005582 12.770263\nCe Zn Ni\n4 4 10\ndirect\n0.854285 0.854285 0.854285 Ce\n0.145715 0.145715 0.145715 Ce\n0.942993 0.942993 0.942993 Ce\n0.057007 0.057007 0.057007 Ce\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.389176 0.389176 0.891039 Ni\n0.389399 0.389399 0.389399 Ni\n0.723054 0.723054 0.723054 Ni\n0.276946 0.276946 0.276946 Ni\n0.610824 0.108961 0.610824 Ni\n0.610824 0.610824 0.108961 Ni\n0.610601 0.610601 0.610601 Ni\n0.891039 0.389176 0.389176 Ni\n0.389176 0.891039 0.389176 Ni\n0.108961 0.610824 0.610824 Ni\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Ni"
],
"chemical_system": "Ce-Ni-Zn",
"density": 8.570108587833138,
"density_atomic": 0.06593078695904611,
"volume": 273.0135772712825,
"volume_molar": 9.134034398437777,
"formula_full": "Ce4 Zn4 Ni10",
"formula_reduced": "Ce2Zn2Ni5",
"formula_anonymous": "A2B2C5",
"energy": -93.06493246,
"energy_per_atom": -5.170274025555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.06493246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1628439,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.050000Z",
"spacegroup": 166
},
{
"id": "mp-1189370",
"created_at": "2022-09-04T14:42:26.784437Z",
"structure_string": "Ce4 Zn4 Sn4 H6\n1.0\n2.201529 -3.813161 0.000000\n2.201529 3.813161 0.000000\n0.000000 0.000000 17.990145\nCe Zn Sn H\n4 4 4 6\ndirect\n0.000000 0.000000 0.500615 Ce\n0.000000 0.000000 0.000615 Ce\n0.000000 0.000000 0.251328 Ce\n0.000000 0.000000 0.751328 Ce\n0.333333 0.666667 0.383137 Zn\n0.666667 0.333333 0.883137 Zn\n0.333333 0.666667 0.117419 Zn\n0.666667 0.333333 0.617419 Zn\n0.333333 0.666667 0.864217 Sn\n0.666667 0.333333 0.364217 Sn\n0.333333 0.666667 0.639107 Sn\n0.666667 0.333333 0.139107 Sn\n0.333333 0.666667 0.487198 H\n0.666667 0.333333 0.987198 H\n0.333333 0.666667 0.254555 H\n0.666667 0.333333 0.754555 H\n0.333333 0.666667 0.015423 H\n0.666667 0.333333 0.515423 H\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ce",
"Zn",
"Sn",
"H"
],
"chemical_system": "Ce-H-Sn-Zn",
"density": 7.163333665840079,
"density_atomic": 0.05959341762489656,
"volume": 302.04678163113226,
"volume_molar": 10.105379083820337,
"formula_full": "Ce4 Zn4 Sn4 H6",
"formula_reduced": "Ce2Zn2Sn2H3",
"formula_anonymous": "A2B2C2D3",
"energy": -73.19233339,
"energy_per_atom": -4.066240743888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.11833339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6668058,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.019000Z",
"spacegroup": 186
},
{
"id": "mp-1226833",
"created_at": "2022-09-04T14:41:18.679320Z",
"structure_string": "Ce2 Zn3 Cu7\n1.0\n4.167573 0.000000 0.000000\n0.000000 5.136647 0.000000\n0.000000 0.084612 8.889292\nCe Zn Cu\n2 3 7\ndirect\n0.000000 0.251423 0.747388 Ce\n0.000000 0.748577 0.252612 Ce\n0.500000 0.252714 0.252937 Zn\n0.500000 0.747286 0.747063 Zn\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.253845 0.081706 Cu\n0.000000 0.750666 0.580415 Cu\n0.000000 0.746155 0.918294 Cu\n0.000000 0.249334 0.419585 Cu\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Cu"
],
"chemical_system": "Ce-Cu-Zn",
"density": 8.039167967191274,
"density_atomic": 0.06305958912658276,
"volume": 190.29619707657437,
"volume_molar": 9.549920707398595,
"formula_full": "Ce2 Zn3 Cu7",
"formula_reduced": "Ce2Zn3Cu7",
"formula_anonymous": "A2B3C7",
"energy": -46.52466876,
"energy_per_atom": -3.87705573,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.52466876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9068828,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.541000Z",
"spacegroup": 10
},
{
"id": "mp-606377",
"created_at": "2022-09-04T14:42:58.720202Z",
"structure_string": "Ce4 Zn8 Ru2\n1.0\n7.193594 0.000000 0.000000\n0.000000 7.193594 0.000000\n0.000000 0.000000 5.194491\nCe Zn Ru\n4 8 2\ndirect\n0.000000 0.500000 0.776090 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.223910 Ce\n0.500000 0.500000 0.000000 Ce\n0.185085 0.685085 0.289960 Zn\n0.814915 0.685085 0.289960 Zn\n0.814915 0.314915 0.289960 Zn\n0.314915 0.185085 0.710040 Zn\n0.185085 0.314915 0.289960 Zn\n0.685085 0.185085 0.710040 Zn\n0.685085 0.814915 0.710040 Zn\n0.314915 0.814915 0.710040 Zn\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Ru"
],
"chemical_system": "Ce-Ru-Zn",
"density": 7.943526412754268,
"density_atomic": 0.05208266418136875,
"volume": 268.8034535108929,
"volume_molar": 11.562658812976522,
"formula_full": "Ce4 Zn8 Ru2",
"formula_reduced": "Ce2Zn4Ru",
"formula_anonymous": "AB2C4",
"energy": -57.69420383,
"energy_per_atom": -4.121014559285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.69420383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2287069,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.266000Z",
"spacegroup": 129
},
{
"id": "mp-1106202",
"created_at": "2022-09-04T14:42:04.064627Z",
"structure_string": "Ce4 Zn10 Sn2\n1.0\n2.215550 -8.225207 0.000000\n2.215550 8.225207 0.000000\n0.000000 0.000000 8.935714\nCe Zn Sn\n4 10 2\ndirect\n0.207731 0.792269 0.250000 Ce\n0.792269 0.207731 0.750000 Ce\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.814284 0.185716 0.393947 Zn\n0.185716 0.814284 0.606053 Zn\n0.814284 0.185716 0.106053 Zn\n0.185716 0.814284 0.893947 Zn\n0.656980 0.343020 0.483433 Zn\n0.343020 0.656980 0.516567 Zn\n0.656980 0.343020 0.016567 Zn\n0.343020 0.656980 0.983433 Zn\n0.394934 0.605066 0.250000 Zn\n0.605066 0.394934 0.750000 Zn\n0.556366 0.443634 0.250000 Sn\n0.443634 0.556366 0.750000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Sn"
],
"chemical_system": "Ce-Sn-Zn",
"density": 7.403213760064398,
"density_atomic": 0.04912836770342573,
"volume": 325.67741913567215,
"volume_molar": 12.257970377428345,
"formula_full": "Ce4 Zn10 Sn2",
"formula_reduced": "Ce2Zn5Sn",
"formula_anonymous": "AB2C5",
"energy": -51.83975545,
"energy_per_atom": -3.239984715625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.83975545,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0808591,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.186000Z",
"spacegroup": 63
},
{
"id": "mp-1226818",
"created_at": "2022-09-04T14:40:03.493932Z",
"structure_string": "Ce2 Zn1 Bi4\n1.0\n4.625543 0.000000 0.000000\n0.000000 4.625543 0.000000\n0.000000 0.000000 9.839138\nCe Zn Bi\n2 1 4\ndirect\n0.500000 0.000000 0.738394 Ce\n0.000000 0.500000 0.261606 Ce\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.334834 Bi\n0.000000 0.500000 0.665166 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Bi"
],
"chemical_system": "Bi-Ce-Zn",
"density": 9.320159317737613,
"density_atomic": 0.033251829344891674,
"volume": 210.51473371269955,
"volume_molar": 18.110705121025628,
"formula_full": "Ce2 Zn1 Bi4",
"formula_reduced": "Ce2ZnBi4",
"formula_anonymous": "AB2C4",
"energy": -32.25841201,
"energy_per_atom": -4.608344572857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.25841201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4942758,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.285000Z",
"spacegroup": 115
},
{
"id": "mp-17567",
"created_at": "2022-09-04T14:44:31.140779Z",
"structure_string": "Ce4 Zn6 Ge12\n1.0\n2.998676 -12.169324 0.000000\n2.998676 12.169324 0.000000\n0.000000 0.000000 5.994537\nCe Zn Ge\n4 6 12\ndirect\n0.106565 0.893435 0.750000 Ce\n0.893435 0.106565 0.250000 Ce\n0.605685 0.394315 0.250000 Ce\n0.394315 0.605685 0.750000 Ce\n0.768987 0.768987 0.000000 Zn\n0.660513 0.339487 0.750000 Zn\n0.768987 0.768987 0.500000 Zn\n0.231013 0.231013 0.000000 Zn\n0.339487 0.660513 0.250000 Zn\n0.231013 0.231013 0.500000 Zn\n0.983589 0.583787 0.033879 Ge\n0.016411 0.416213 0.533879 Ge\n0.416213 0.016411 0.033879 Ge\n0.583787 0.983589 0.533879 Ge\n0.016411 0.416213 0.966121 Ge\n0.983589 0.583787 0.466121 Ge\n0.583787 0.983589 0.966121 Ge\n0.442559 0.557441 0.250000 Ge\n0.927782 0.072218 0.750000 Ge\n0.072218 0.927782 0.250000 Ge\n0.557441 0.442559 0.750000 Ge\n0.416213 0.016411 0.466121 Ge\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Ge"
],
"chemical_system": "Ce-Ge-Zn",
"density": 6.925237201197312,
"density_atomic": 0.050285299622220364,
"volume": 437.50360771994906,
"volume_molar": 11.975946857715254,
"formula_full": "Ce4 Zn6 Ge12",
"formula_reduced": "Ce2(ZnGe2)3",
"formula_anonymous": "A2B3C6",
"energy": -95.38954036,
"energy_per_atom": -4.335888198181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.38954036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0115635,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.504000Z",
"spacegroup": 63
},
{
"id": "mp-985471",
"created_at": "2022-09-04T14:46:08.579084Z",
"structure_string": "Ce2 Zn1 Hg1\n1.0\n0.000000 3.758266 3.758266\n3.758266 0.000000 3.758266\n3.758266 3.758266 0.000000\nCe Zn Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Hg"
],
"chemical_system": "Ce-Hg-Zn",
"density": 8.543442492577936,
"density_atomic": 0.03767623095946554,
"volume": 106.16773223158792,
"volume_molar": 15.983925691715285,
"formula_full": "Ce2 Zn1 Hg1",
"formula_reduced": "Ce2ZnHg",
"formula_anonymous": "ABC2",
"energy": -14.2576102,
"energy_per_atom": -3.56440255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.2576102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3292882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.494000Z",
"spacegroup": 225
},
{
"id": "mp-1183763",
"created_at": "2022-09-04T14:43:01.706723Z",
"structure_string": "Ce2 Zn1 In1\n1.0\n0.000000 3.733115 3.733115\n3.733115 0.000000 3.733115\n3.733115 3.733115 0.000000\nCe Zn In\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"In"
],
"chemical_system": "Ce-In-Zn",
"density": 7.348453689722978,
"density_atomic": 0.03844287765307763,
"volume": 104.05048331962661,
"volume_molar": 15.665166417420588,
"formula_full": "Ce2 Zn1 In1",
"formula_reduced": "Ce2ZnIn",
"formula_anonymous": "ABC2",
"energy": -16.75354081,
"energy_per_atom": -4.1883852025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.75354081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1893728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.812000Z",
"spacegroup": 225
},
{
"id": "mp-574021",
"created_at": "2022-09-04T14:48:30.308235Z",
"structure_string": "Ce2 Zn1 Ni2\n1.0\n-2.200585 2.726504 3.902427\n2.200585 -2.726504 3.902427\n2.200585 2.726504 -3.902427\nCe Zn Ni\n2 1 2\ndirect\n0.701308 0.201308 0.500000 Ce\n0.298692 0.798692 0.500000 Ce\n0.000000 0.000000 0.000000 Zn\n0.733727 0.500000 0.233727 Ni\n0.266273 0.500000 0.766273 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Ni"
],
"chemical_system": "Ce-Ni-Zn",
"density": 8.209507378789173,
"density_atomic": 0.053386437080464755,
"volume": 93.65674642164137,
"volume_molar": 11.280282201495014,
"formula_full": "Ce2 Zn1 Ni2",
"formula_reduced": "Ce2ZnNi2",
"formula_anonymous": "AB2C2",
"energy": -26.47060638,
"energy_per_atom": -5.294121276,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.47060638,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042733,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:53.587000Z",
"spacegroup": 71
},
{
"id": "mp-1213879",
"created_at": "2022-09-04T14:41:10.422483Z",
"structure_string": "Ce2 Zn1 P2 O1\n1.0\n3.193881 0.000000 0.000000\n0.000000 3.193881 0.000000\n0.000000 0.000000 14.102630\nCe Zn P O\n2 1 2 1\ndirect\n0.500000 0.500000 0.646498 Ce\n0.500000 0.500000 0.353502 Ce\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.158144 P\n0.500000 0.500000 0.841856 P\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"Zn",
"P",
"O"
],
"chemical_system": "Ce-O-P-Zn",
"density": 4.889394665640968,
"density_atomic": 0.04170745375336784,
"volume": 143.85917767793498,
"volume_molar": 14.439003626572909,
"formula_full": "Ce2 Zn1 P2 O1",
"formula_reduced": "Ce2ZnP2O",
"formula_anonymous": "ABC2D2",
"energy": -31.44361028,
"energy_per_atom": -5.240601713333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.75661028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2732021,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.656000Z",
"spacegroup": 123
}
]
}