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=10385",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10383",
"results": [
{
"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-542458",
"created_at": "2022-09-04T14:40:11.783279Z",
"structure_string": "Ce2 Zn17\n1.0\n5.140284 -4.524430 0.000000\n5.140284 4.524430 0.000000\n1.157923 0.000000 6.749237\nCe Zn\n2 17\ndirect\n0.336624 0.336624 0.336624 Ce\n0.663376 0.663376 0.663376 Ce\n0.099907 0.099907 0.099907 Zn\n0.900093 0.900093 0.900093 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.294178 0.705822 0.000000 Zn\n0.705822 0.000000 0.294178 Zn\n0.000000 0.294178 0.705822 Zn\n0.705822 0.294178 0.000000 Zn\n0.294178 0.000000 0.705822 Zn\n0.000000 0.705822 0.294178 Zn\n0.160570 0.648812 0.648812 Zn\n0.648812 0.648812 0.160570 Zn\n0.648812 0.160570 0.648812 Zn\n0.351188 0.839430 0.351188 Zn\n0.839430 0.351188 0.351188 Zn\n0.351188 0.351188 0.839430 Zn\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Ce",
"Zn"
],
"chemical_system": "Ce-Zn",
"density": 7.363942445526288,
"density_atomic": 0.06052265046999076,
"volume": 313.9320544036792,
"volume_molar": 9.95022642471018,
"formula_full": "Ce2 Zn17",
"formula_reduced": "Ce2Zn17",
"formula_anonymous": "A2B17",
"energy": -37.87396092,
"energy_per_atom": -1.9933663642105264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.87396092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0272791,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.158000Z",
"spacegroup": 166
},
{
"id": "mp-1006324",
"created_at": "2022-09-04T14:40:36.363128Z",
"structure_string": "Ce2 Y6 S12\n1.0\n3.983193 0.000000 0.000000\n0.000000 11.086168 0.000000\n0.000000 3.675176 10.762548\nCe Y S\n2 6 12\ndirect\n0.750000 0.048746 0.806542 Ce\n0.250000 0.951254 0.193458 Ce\n0.750000 0.680562 0.999474 Y\n0.250000 0.319438 0.000526 Y\n0.750000 0.159823 0.414032 Y\n0.250000 0.840177 0.585968 Y\n0.750000 0.441729 0.667346 Y\n0.250000 0.558271 0.332654 Y\n0.750000 0.393564 0.442649 S\n0.250000 0.606436 0.557351 S\n0.750000 0.805991 0.750507 S\n0.250000 0.194009 0.249493 S\n0.750000 0.479283 0.887962 S\n0.250000 0.520717 0.112038 S\n0.750000 0.115297 0.037606 S\n0.250000 0.884703 0.962394 S\n0.750000 0.736768 0.228197 S\n0.250000 0.263232 0.771803 S\n0.750000 0.917296 0.404069 S\n0.250000 0.082704 0.595931 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ce",
"Y",
"S"
],
"chemical_system": "Ce-S-Y",
"density": 4.187357677842838,
"density_atomic": 0.042082553926912104,
"volume": 475.25632676038356,
"volume_molar": 14.310302484157923,
"formula_full": "Ce2 Y6 S12",
"formula_reduced": "Ce(YS2)3",
"formula_anonymous": "AB3C6",
"energy": -147.70750917,
"energy_per_atom": -7.3853754585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.67150917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999788,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.938000Z",
"spacegroup": 11
},
{
"id": "mp-1006351",
"created_at": "2022-09-04T14:48:06.741826Z",
"structure_string": "Ce2 Y6\n1.0\n3.598601 -6.232959 0.000000\n3.598601 6.232959 0.000000\n0.000000 0.000000 5.703369\nCe Y\n2 6\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.166338 0.332675 0.250000 Y\n0.667325 0.833662 0.250000 Y\n0.166338 0.833662 0.250000 Y\n0.833662 0.667325 0.750000 Y\n0.332675 0.166338 0.750000 Y\n0.833662 0.166338 0.750000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Y"
],
"chemical_system": "Ce-Y",
"density": 5.280881479698365,
"density_atomic": 0.031268032460558676,
"volume": 255.85236327521267,
"volume_molar": 19.259736817774815,
"formula_full": "Ce2 Y6",
"formula_reduced": "CeY3",
"formula_anonymous": "AB3",
"energy": -50.06314731,
"energy_per_atom": -6.25789341375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.06314731,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7902932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.170000Z",
"spacegroup": 194
},
{
"id": "mp-1178478",
"created_at": "2022-09-04T14:48:17.874318Z",
"structure_string": "Ce2 Y2 O7\n1.0\n3.850389 0.000000 0.000000\n0.000000 3.850389 0.000000\n0.000000 0.000000 10.899996\nCe Y O\n2 2 7\ndirect\n0.500000 0.000000 0.374543 Ce\n0.000000 0.500000 0.625457 Ce\n0.500000 0.000000 0.859590 Y\n0.000000 0.500000 0.140410 Y\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.234600 O\n0.500000 0.500000 0.259933 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.765400 O\n0.500000 0.500000 0.740067 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ce",
"Y",
"O"
],
"chemical_system": "Ce-O-Y",
"density": 5.857583571103221,
"density_atomic": 0.06807021630943322,
"volume": 161.59784111741706,
"volume_molar": 8.84695405201092,
"formula_full": "Ce2 Y2 O7",
"formula_reduced": "Ce2Y2O7",
"formula_anonymous": "A2B2C7",
"energy": -101.86900502,
"energy_per_atom": -9.260818638181819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.06000502,
"band_gap": 2.0556,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.017873,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:59.090000Z",
"spacegroup": 115
},
{
"id": "mp-1022962",
"created_at": "2022-09-04T14:45:27.768165Z",
"structure_string": "Ce2 Y2 Mg12\n1.0\n5.326358 0.000000 0.000000\n0.000000 6.716398 0.000000\n0.000000 0.000000 11.557332\nCe Y Mg\n2 2 12\ndirect\n0.500000 0.500000 0.835821 Ce\n0.500000 0.000000 0.335821 Ce\n0.500000 0.500000 0.337080 Y\n0.500000 0.000000 0.837080 Y\n0.500000 0.248649 0.082655 Mg\n0.500000 0.751351 0.082655 Mg\n0.000000 0.250250 0.918125 Mg\n0.000000 0.749750 0.918125 Mg\n0.000000 0.500000 0.163006 Mg\n0.000000 0.500000 0.662538 Mg\n0.500000 0.748649 0.582655 Mg\n0.500000 0.251351 0.582655 Mg\n0.000000 0.750250 0.418125 Mg\n0.000000 0.249750 0.418125 Mg\n0.000000 0.000000 0.663006 Mg\n0.000000 0.000000 0.162538 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Mg"
],
"chemical_system": "Ce-Mg-Y",
"density": 3.0110251679468973,
"density_atomic": 0.038698632325373704,
"volume": 413.4513040531721,
"volume_molar": 15.561637190086007,
"formula_full": "Ce2 Y2 Mg12",
"formula_reduced": "CeYMg6",
"formula_anonymous": "ABC6",
"energy": -43.0517567,
"energy_per_atom": -2.69073479375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.0517567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9701917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.116000Z",
"spacegroup": 38
},
{
"id": "mp-1226593",
"created_at": "2022-09-04T14:41:29.509248Z",
"structure_string": "Ce2 Y2 Ga4 Pd8\n1.0\n5.700787 0.000000 0.000000\n0.000000 7.132091 0.000000\n0.000000 0.000000 7.455427\nCe Y Ga Pd\n2 2 4 8\ndirect\n0.899199 0.500000 0.533966 Ce\n0.100801 0.500000 0.033966 Ce\n0.598958 0.000000 0.466412 Y\n0.401042 0.000000 0.966412 Y\n0.598943 0.500000 0.884627 Ga\n0.401057 0.500000 0.384627 Ga\n0.898939 0.000000 0.117779 Ga\n0.101061 0.000000 0.617779 Ga\n0.337331 0.697937 0.680921 Pd\n0.662669 0.302063 0.180921 Pd\n0.164055 0.198168 0.317687 Pd\n0.835945 0.801832 0.817687 Pd\n0.164055 0.801832 0.317687 Pd\n0.835945 0.198168 0.817687 Pd\n0.337331 0.302063 0.680921 Pd\n0.662669 0.697937 0.180921 Pd\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ce",
"Y",
"Ga",
"Pd"
],
"chemical_system": "Ce-Ga-Pd-Y",
"density": 8.700741080831307,
"density_atomic": 0.05278320657614371,
"volume": 303.1267146856417,
"volume_molar": 11.409198399708085,
"formula_full": "Ce2 Y2 Ga4 Pd8",
"formula_reduced": "CeY(GaPd2)2",
"formula_anonymous": "ABC2D4",
"energy": -92.03647606,
"energy_per_atom": -5.75227975375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.03647606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9099531,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.777000Z",
"spacegroup": 26
},
{
"id": "mp-1226946",
"created_at": "2022-09-04T14:47:08.276874Z",
"structure_string": "Ce2 Y2 Fe34\n1.0\n4.243140 -7.349334 0.000000\n4.243140 7.349334 0.000000\n0.000000 0.000000 8.310191\nCe Y Fe\n2 2 34\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.333333 0.666667 0.393379 Fe\n0.666667 0.333333 0.606621 Fe\n0.666667 0.333333 0.893379 Fe\n0.333333 0.666667 0.106621 Fe\n0.165724 0.834276 0.513286 Fe\n0.165724 0.331449 0.513286 Fe\n0.668551 0.834276 0.513286 Fe\n0.834276 0.165724 0.486714 Fe\n0.834276 0.668551 0.486714 Fe\n0.331449 0.165724 0.486714 Fe\n0.834276 0.165724 0.013286 Fe\n0.834276 0.668551 0.013286 Fe\n0.331449 0.165724 0.013286 Fe\n0.165724 0.834276 0.986714 Fe\n0.165724 0.331449 0.986714 Fe\n0.668551 0.834276 0.986714 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.329327 0.367776 0.250000 Fe\n0.632224 0.961550 0.250000 Fe\n0.038450 0.670673 0.250000 Fe\n0.632224 0.670673 0.250000 Fe\n0.038450 0.367776 0.250000 Fe\n0.329327 0.961550 0.250000 Fe\n0.670673 0.632224 0.750000 Fe\n0.367776 0.038450 0.750000 Fe\n0.961550 0.329327 0.750000 Fe\n0.367776 0.329327 0.750000 Fe\n0.961550 0.632224 0.750000 Fe\n0.670673 0.038450 0.750000 Fe\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Fe"
],
"chemical_system": "Ce-Fe-Y",
"density": 7.550759418417771,
"density_atomic": 0.07331743268249392,
"volume": 518.2941983874634,
"volume_molar": 8.213791099422815,
"formula_full": "Ce2 Y2 Fe34",
"formula_reduced": "CeYFe17",
"formula_anonymous": "ABC17",
"energy": -312.62200456,
"energy_per_atom": -8.226894856842105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -312.62200456,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.6262397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.857000Z",
"spacegroup": 194
},
{
"id": "mp-1226822",
"created_at": "2022-09-04T14:41:11.381804Z",
"structure_string": "Ce2 Y1 Al3 Pd3\n1.0\n3.566481 -6.253951 0.000000\n3.566481 6.253951 0.000000\n0.000000 0.000000 4.156648\nCe Y Al Pd\n2 1 3 3\ndirect\n0.577812 0.000195 0.500000 Ce\n0.000195 0.577812 0.500000 Ce\n0.419048 0.419048 0.500000 Y\n0.766592 0.766592 0.000000 Al\n0.232142 0.001250 0.000000 Al\n0.001250 0.232142 0.000000 Al\n0.668954 0.333373 0.000000 Pd\n0.333373 0.668954 0.000000 Pd\n0.000734 0.000734 0.500000 Pd\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ce",
"Y",
"Al",
"Pd"
],
"chemical_system": "Al-Ce-Pd-Y",
"density": 6.889713608429493,
"density_atomic": 0.04853721756476769,
"volume": 185.42472048362617,
"volume_molar": 12.407264079289469,
"formula_full": "Ce2 Y1 Al3 Pd3",
"formula_reduced": "Ce2Y(AlPd)3",
"formula_anonymous": "AB2C3D3",
"energy": -52.41929868,
"energy_per_atom": -5.82436652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.41929868,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0089225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.648000Z",
"spacegroup": 38
},
{
"id": "mp-778675",
"created_at": "2022-09-04T14:48:10.023237Z",
"structure_string": "Ce2 W4 O16\n1.0\n4.148557 6.074245 0.000000\n-4.148557 6.074245 0.000000\n0.000000 4.238076 6.683575\nCe W O\n2 4 16\ndirect\n0.965094 0.034906 0.250000 Ce\n0.034906 0.965094 0.750000 Ce\n0.493506 0.938896 0.231708 W\n0.938896 0.493506 0.731708 W\n0.061104 0.506494 0.268292 W\n0.506494 0.061104 0.768292 W\n0.590486 0.673896 0.324719 O\n0.219595 0.978183 0.415066 O\n0.949447 0.360336 0.214027 O\n0.323972 0.987781 0.059307 O\n0.673896 0.590486 0.824719 O\n0.978183 0.219595 0.915066 O\n0.360336 0.949447 0.714027 O\n0.987781 0.323972 0.559307 O\n0.012219 0.676028 0.440693 O\n0.639664 0.050553 0.285973 O\n0.021817 0.780405 0.084934 O\n0.326104 0.409514 0.175281 O\n0.676028 0.012219 0.940693 O\n0.050553 0.639664 0.785973 O\n0.780405 0.021817 0.584934 O\n0.409514 0.326104 0.675281 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ce",
"W",
"O"
],
"chemical_system": "Ce-O-W",
"density": 6.268525800641214,
"density_atomic": 0.06531222705884972,
"volume": 336.84351293329587,
"volume_molar": 9.220541131714493,
"formula_full": "Ce2 W4 O16",
"formula_reduced": "Ce(WO4)2",
"formula_anonymous": "AB2C8",
"energy": -199.489041,
"energy_per_atom": -9.067683681818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.745041,
"band_gap": 1.3613,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.720000Z",
"spacegroup": 15
},
{
"id": "mp-19214",
"created_at": "2022-09-04T14:45:10.522247Z",
"structure_string": "Ce2 V2 O8\n1.0\n-3.662270 3.662270 3.268086\n3.662270 -3.662270 3.268086\n3.662270 3.662270 -3.268086\nCe V O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.000000 V\n0.750000 0.250000 0.500000 V\n0.321235 0.503015 0.181781 O\n0.321235 0.139454 0.818219 O\n0.496985 0.678765 0.818219 O\n0.928765 0.610546 0.681781 O\n0.928765 0.246985 0.318219 O\n0.860546 0.678765 0.181781 O\n0.389454 0.071235 0.318219 O\n0.753015 0.071235 0.681781 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"V",
"O"
],
"chemical_system": "Ce-O-V",
"density": 4.831243405293332,
"density_atomic": 0.06844268828787016,
"volume": 175.329173943723,
"volume_molar": 8.79880804019687,
"formula_full": "Ce2 V2 O8",
"formula_reduced": "CeVO4",
"formula_anonymous": "ABC4",
"energy": -107.39980138,
"energy_per_atom": -8.949983448333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.50380138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9987123,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.475000Z",
"spacegroup": 141
},
{
"id": "mp-1103666",
"created_at": "2022-09-04T14:45:57.317836Z",
"structure_string": "Ce2 V2 O8\n1.0\n5.191587 0.000000 0.000000\n0.000000 5.191587 0.000000\n-2.595794 -2.595794 5.649761\nCe V O\n2 2 8\ndirect\n0.625000 0.875000 0.250000 Ce\n0.375000 0.125000 0.750000 Ce\n0.125000 0.375000 0.250000 V\n0.875000 0.625000 0.750000 V\n0.358919 0.716149 0.410049 O\n0.051130 0.193900 0.410049 O\n0.216149 0.551130 0.910049 O\n0.693900 0.858919 0.910049 O\n0.641081 0.283851 0.589951 O\n0.948870 0.806100 0.589951 O\n0.783851 0.448870 0.089951 O\n0.306100 0.141081 0.089951 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"V",
"O"
],
"chemical_system": "Ce-O-V",
"density": 5.5626630778597015,
"density_atomic": 0.0788044780917595,
"volume": 152.27561035335157,
"volume_molar": 7.6418763321899705,
"formula_full": "Ce2 V2 O8",
"formula_reduced": "CeVO4",
"formula_anonymous": "ABC4",
"energy": -107.20972992,
"energy_per_atom": -8.93414416,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.31372992,
"band_gap": 0.2849999999999992,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0029829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.028000Z",
"spacegroup": 88
}
]
}