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_anonymous&page=45",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=43",
"results": [
{
"id": "mp-1519369",
"created_at": "2022-09-04T14:47:05.121071Z",
"structure_string": "Ca1 Eu1 Zr1 Cr1 O6\n1.0\n-0.000000 -4.009733 -4.009733\n4.009733 -0.000000 -4.009733\n4.009733 -4.009733 0.000000\nCa Eu Zr Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Cr\n0.757854 0.242146 0.242146 O\n0.242146 0.757854 0.757854 O\n0.757854 0.242146 0.757854 O\n0.242146 0.757854 0.242146 O\n0.757854 0.757854 0.242146 O\n0.242146 0.242146 0.757854 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Zr",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Eu-O-Zr",
"density": 5.554057932620448,
"density_atomic": 0.07755747114780023,
"volume": 128.93664339497525,
"volume_molar": 7.7647461564646525,
"formula_full": "Ca1 Eu1 Zr1 Cr1 O6",
"formula_reduced": "CaEuZrCrO6",
"formula_anonymous": "ABCDE6",
"energy": -91.06301145,
"energy_per_atom": -9.106301145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.94201145,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.281000Z",
"spacegroup": 216
},
{
"id": "mp-1516715",
"created_at": "2022-09-04T14:48:24.610668Z",
"structure_string": "Ba1 Ca1 Mn1 W1 O6\n1.0\n-0.000000 -4.107425 -4.107425\n4.107425 -0.000000 -4.107425\n4.107425 -4.107425 0.000000\nBa Ca Mn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.737325 0.262675 0.262675 O\n0.262675 0.737325 0.737325 O\n0.737325 0.262675 0.737325 O\n0.262675 0.737325 0.262675 O\n0.737325 0.737325 0.262675 O\n0.262675 0.262675 0.737325 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Mn",
"W",
"O"
],
"chemical_system": "Ba-Ca-Mn-O-W",
"density": 6.136663654426655,
"density_atomic": 0.07215411062914573,
"volume": 138.5922425320648,
"volume_molar": 8.346219927721531,
"formula_full": "Ba1 Ca1 Mn1 W1 O6",
"formula_reduced": "BaCaMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -82.43618466,
"energy_per_atom": -8.243618466,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.20818466,
"band_gap": 1.8852,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.876000Z",
"spacegroup": 216
},
{
"id": "mp-1521237",
"created_at": "2022-09-04T14:40:38.262562Z",
"structure_string": "Ba1 Sr1 Ca1 W1 O6\n1.0\n0.000000 -4.225651 -4.225651\n4.225651 -0.000000 -4.225651\n4.225651 -4.225651 0.000000\nBa Sr Ca W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 W\n0.731060 0.268940 0.268940 O\n0.268940 0.731060 0.731060 O\n0.731060 0.268940 0.731060 O\n0.268940 0.731060 0.268940 O\n0.731060 0.731060 0.268940 O\n0.268940 0.268940 0.731060 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ca",
"W",
"O"
],
"chemical_system": "Ba-Ca-O-Sr-W",
"density": 5.995484263181715,
"density_atomic": 0.06626575156493471,
"volume": 150.90751653515716,
"volume_molar": 9.087863063167438,
"formula_full": "Ba1 Sr1 Ca1 W1 O6",
"formula_reduced": "BaSrCaWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.25433427,
"energy_per_atom": -7.825433427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.69433427,
"band_gap": 3.1999000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.205000Z",
"spacegroup": 216
},
{
"id": "mp-1517127",
"created_at": "2022-09-04T14:45:56.317336Z",
"structure_string": "Sr1 Ca1 Tb1 Fe1 O6\n1.0\n0.000000 -4.054677 -4.054677\n4.054677 0.000000 -4.054677\n4.054677 -4.054677 0.000000\nSr Ca Tb Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tb\n0.000000 -0.000000 0.000000 Fe\n0.769395 0.230605 0.230605 O\n0.230605 0.769395 0.769395 O\n0.769395 0.230605 0.769395 O\n0.230605 0.769395 0.230605 O\n0.769395 0.769395 0.230605 O\n0.230605 0.230605 0.769395 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Tb",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O-Sr-Tb",
"density": 5.461161193574263,
"density_atomic": 0.07500689948763081,
"volume": 133.32106870580716,
"volume_molar": 8.028782420200017,
"formula_full": "Sr1 Ca1 Tb1 Fe1 O6",
"formula_reduced": "SrCaTbFeO6",
"formula_anonymous": "ABCDE6",
"energy": -72.76399589,
"energy_per_atom": -7.276399589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.38599589,
"band_gap": 0.2963,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.069000Z",
"spacegroup": 216
},
{
"id": "mp-1517951",
"created_at": "2022-09-04T14:45:17.544942Z",
"structure_string": "Ca1 V1 Sn1 W1 O6\n1.0\n-0.000000 -4.014127 -4.014127\n4.014127 -0.000000 -4.014127\n4.014127 -4.014127 0.000000\nCa V Sn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 -0.000000 V\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 W\n0.742448 0.257552 0.257552 O\n0.257552 0.742448 0.742448 O\n0.742448 0.257552 0.742448 O\n0.257552 0.742448 0.257552 O\n0.742448 0.742448 0.257552 O\n0.257552 0.257552 0.742448 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"V",
"Sn",
"W",
"O"
],
"chemical_system": "Ca-O-Sn-V-W",
"density": 6.284300384173869,
"density_atomic": 0.0773030586989321,
"volume": 129.36098736980694,
"volume_molar": 7.7903007479355955,
"formula_full": "Ca1 V1 Sn1 W1 O6",
"formula_reduced": "CaVSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -80.35436965000001,
"energy_per_atom": -8.035436965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.09436965,
"band_gap": 0.4579999999999993,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.212000Z",
"spacegroup": 216
},
{
"id": "mp-1049246",
"created_at": "2022-09-04T14:45:28.436271Z",
"structure_string": "La2 Zn2 Cr2 W2 O12\n1.0\n5.697279 0.000000 0.000000\n0.000000 5.449039 0.000000\n0.000000 5.331406 7.879747\nLa Zn Cr W O\n2 2 2 2 12\ndirect\n0.289369 0.766468 0.246565 La\n0.710631 0.766468 0.746565 La\n0.728423 0.252342 0.244002 Zn\n0.271577 0.252342 0.744002 Zn\n0.246736 0.001078 0.499685 Cr\n0.753264 0.001078 0.999685 Cr\n0.235004 0.499499 0.999969 W\n0.764996 0.499499 0.499969 W\n0.776240 0.338439 0.753915 O\n0.025244 0.140397 0.064247 O\n0.052782 0.750205 0.452570 O\n0.551313 0.255461 0.054673 O\n0.557349 0.878073 0.434677 O\n0.277192 0.618035 0.749697 O\n0.223760 0.338439 0.253915 O\n0.974756 0.140397 0.564247 O\n0.947218 0.750205 0.952570 O\n0.448687 0.255461 0.554673 O\n0.442651 0.878073 0.934677 O\n0.722808 0.618035 0.249697 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Zn",
"Cr",
"W",
"O"
],
"chemical_system": "Cr-La-O-W-Zn",
"density": 7.278858411638762,
"density_atomic": 0.0817580111329303,
"volume": 244.62434595530965,
"volume_molar": 7.365811223329057,
"formula_full": "La2 Zn2 Cr2 W2 O12",
"formula_reduced": "LaZnCrWO6",
"formula_anonymous": "ABCDE6",
"energy": -166.01315409,
"energy_per_atom": -8.3006577045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.89515409,
"band_gap": 1.8891,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.999684,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.275000Z",
"spacegroup": 7
},
{
"id": "mp-1516574",
"created_at": "2022-09-04T14:46:42.114074Z",
"structure_string": "Ca1 Mn1 Sn1 W1 O6\n1.0\n-0.000000 -4.057259 -4.057259\n4.057259 0.000000 -4.057259\n4.057259 -4.057259 0.000000\nCa Mn Sn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 W\n0.739199 0.260801 0.260801 O\n0.260801 0.739199 0.739199 O\n0.739199 0.260801 0.739199 O\n0.260801 0.739199 0.260801 O\n0.739199 0.739199 0.260801 O\n0.260801 0.260801 0.739199 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Mn",
"Sn",
"W",
"O"
],
"chemical_system": "Ca-Mn-O-Sn-W",
"density": 6.135684386868663,
"density_atomic": 0.07486378962529552,
"volume": 133.57592569186647,
"volume_molar": 8.044130266637202,
"formula_full": "Ca1 Mn1 Sn1 W1 O6",
"formula_reduced": "CaMnSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.81055721999999,
"energy_per_atom": -7.981055721999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.58255722,
"band_gap": 1.3297999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.099000Z",
"spacegroup": 216
},
{
"id": "mp-1520388",
"created_at": "2022-09-04T14:48:28.391273Z",
"structure_string": "Ba1 Ca1 Y1 Sb1 O6\n1.0\n-0.000000 -4.214495 -4.214495\n4.214495 -0.000000 -4.214495\n4.214495 -4.214495 -0.000000\nBa Ca Y Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Y\n-0.000000 0.000000 -0.000000 Sb\n0.763030 0.236970 0.236970 O\n0.236970 0.763030 0.763030 O\n0.763030 0.236970 0.763030 O\n0.236970 0.763030 0.236970 O\n0.763030 0.763030 0.236970 O\n0.236970 0.236970 0.763030 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Y",
"Sb",
"O"
],
"chemical_system": "Ba-Ca-O-Sb-Y",
"density": 5.368935345226492,
"density_atomic": 0.06679337301060245,
"volume": 149.7154515375747,
"volume_molar": 9.016075231062333,
"formula_full": "Ba1 Ca1 Y1 Sb1 O6",
"formula_reduced": "BaCaYSbO6",
"formula_anonymous": "ABCDE6",
"energy": -74.1372092,
"energy_per_atom": -7.41372092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.0152092,
"band_gap": 3.375,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:16.356000Z",
"spacegroup": 216
},
{
"id": "mp-1520445",
"created_at": "2022-09-04T14:47:20.392043Z",
"structure_string": "Sr1 Pr1 Eu1 Ni1 O6\n1.0\n-0.000000 -4.053163 -4.053163\n4.053163 -0.000000 -4.053163\n4.053163 -4.053163 0.000000\nSr Pr Eu Ni O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Ni\n0.731176 0.268824 0.268824 O\n0.268824 0.731176 0.731176 O\n0.731176 0.268824 0.731176 O\n0.268824 0.731176 0.268824 O\n0.731176 0.731176 0.268824 O\n0.268824 0.268824 0.731176 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Eu",
"Ni",
"O"
],
"chemical_system": "Eu-Ni-O-Pr-Sr",
"density": 6.6732584534830774,
"density_atomic": 0.07509098409263414,
"volume": 133.17177981931556,
"volume_molar": 8.019792033316456,
"formula_full": "Sr1 Pr1 Eu1 Ni1 O6",
"formula_reduced": "SrPrEuNiO6",
"formula_anonymous": "ABCDE6",
"energy": -76.60849813,
"energy_per_atom": -7.6608498130000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.94549813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.636000Z",
"spacegroup": 216
},
{
"id": "mp-1227369",
"created_at": "2022-09-04T14:47:27.445904Z",
"structure_string": "Ba1 Sr1 Yb1 Re1 O6\n1.0\n0.000000 4.182911 4.182911\n4.182911 0.000000 4.182911\n4.182911 4.182911 0.000000\nBa Sr Yb Re O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Re\n0.768395 0.768395 0.231605 O\n0.231605 0.768395 0.231605 O\n0.768395 0.231605 0.231605 O\n0.231605 0.231605 0.768395 O\n0.768395 0.231605 0.768395 O\n0.231605 0.768395 0.768395 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Yb",
"Re",
"O"
],
"chemical_system": "Ba-O-Re-Sr-Yb",
"density": 7.716382144578716,
"density_atomic": 0.06831784078202581,
"volume": 146.37464951367383,
"volume_molar": 8.814887430670094,
"formula_full": "Ba1 Sr1 Yb1 Re1 O6",
"formula_reduced": "BaSrYbReO6",
"formula_anonymous": "ABCDE6",
"energy": -76.96660746,
"energy_per_atom": -7.696660746000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.84460746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9869796,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.818000Z",
"spacegroup": 216
},
{
"id": "mp-1522560",
"created_at": "2022-09-04T14:47:11.660964Z",
"structure_string": "Ba1 Sr1 Pr1 Hf1 O6\n1.0\n-0.000000 -4.398655 -4.398655\n4.398655 -0.000000 -4.398655\n4.398655 -4.398655 0.000000\nBa Sr Pr Hf O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Hf\n0.764407 0.235593 0.235593 O\n0.235593 0.764407 0.764407 O\n0.764407 0.235593 0.764407 O\n0.235593 0.764407 0.235593 O\n0.764407 0.764407 0.235593 O\n0.235593 0.235593 0.764407 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Hf",
"O"
],
"chemical_system": "Ba-Hf-O-Pr-Sr",
"density": 6.246989051591905,
"density_atomic": 0.058750329075210946,
"volume": 170.21181255339368,
"volume_molar": 10.250394942112717,
"formula_full": "Ba1 Sr1 Pr1 Hf1 O6",
"formula_reduced": "BaSrPrHfO6",
"formula_anonymous": "ABCDE6",
"energy": -81.01211579,
"energy_per_atom": -8.101211579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.89011579,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.092000Z",
"spacegroup": 216
},
{
"id": "mp-1523233",
"created_at": "2022-09-04T14:47:41.539933Z",
"structure_string": "Sr2 Sm2 Eu2 Nb2 O12\n1.0\n5.864820 -0.003763 0.024845\n0.001124 6.013527 0.011245\n0.043011 0.022672 8.390849\nSr Sm Eu Nb O\n2 2 2 2 12\ndirect\n0.510825 0.546824 0.249747 Sr\n0.489175 0.453176 0.750253 Sr\n0.500000 0.000000 -0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.986991 0.051401 0.249345 Eu\n0.013009 0.948599 0.750655 Eu\n0.000000 0.500000 -0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.180372 0.217453 0.944119 O\n0.316005 0.720635 0.554722 O\n0.819628 0.782547 0.055881 O\n0.683995 0.279365 0.445278 O\n0.279255 0.689161 0.948968 O\n0.219582 0.186349 0.554160 O\n0.720745 0.310839 0.051032 O\n0.780418 0.813651 0.445840 O\n0.396165 0.968609 0.268737 O\n0.094467 0.461215 0.231875 O\n0.603835 0.031391 0.731263 O\n0.905533 0.538785 0.768125 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Sm",
"Eu",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-O-Sm-Sr",
"density": 6.496275449738854,
"density_atomic": 0.06758521691626103,
"volume": 295.9227019243019,
"volume_molar": 8.910440825338345,
"formula_full": "Sr2 Sm2 Eu2 Nb2 O12",
"formula_reduced": "SrSmEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -181.35025424,
"energy_per_atom": -9.067512712,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.10625424,
"band_gap": 0.1490999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 14.0000498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.395000Z",
"spacegroup": 2
}
]
}