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=-density_atomic&page=11556",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=11554",
"results": [
{
"id": "mp-1183736",
"created_at": "2022-09-04T14:47:02.562807Z",
"structure_string": "Ce1 Pr3\n1.0\n5.213929 0.000000 0.000000\n0.000000 5.213929 0.000000\n0.000000 0.000000 5.213929\nCe Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Pr"
],
"chemical_system": "Ce-Pr",
"density": 6.59383237998185,
"density_atomic": 0.028220496647447087,
"volume": 141.740949848303,
"volume_molar": 21.339598786064535,
"formula_full": "Ce1 Pr3",
"formula_reduced": "CePr3",
"formula_anonymous": "AB3",
"energy": -19.93206734,
"energy_per_atom": -4.983016835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.93206734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2744459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.044000Z",
"spacegroup": 221
},
{
"id": "mp-676450",
"created_at": "2022-09-04T14:42:02.439175Z",
"structure_string": "Li6 U3 Br18\n1.0\n10.082075 0.000000 -5.940739\n-4.029712 19.067652 9.839862\n-2.686474 0.000000 6.559908\nLi U Br\n6 3 18\ndirect\n0.650888 0.662564 0.528331 Li\n0.664042 0.331189 0.543098 Li\n0.697379 0.007252 0.644305 Li\n0.302621 0.007252 0.333940 Li\n0.349112 0.662564 0.483978 Li\n0.335958 0.331189 0.463335 Li\n0.000000 0.551301 0.673049 U\n0.000000 0.223631 0.664554 U\n0.500000 0.888399 0.167400 U\n0.659890 0.995184 -0.023201 Br\n0.737914 0.653799 0.019710 Br\n0.221518 0.887440 0.534564 Br\n0.732283 0.322684 0.006560 Br\n0.221588 0.553519 0.636767 Br\n0.290341 0.792882 0.247414 Br\n0.778482 0.887440 0.803116 Br\n0.220029 0.220622 0.633033 Br\n0.235820 0.448978 0.291986 Br\n0.778412 0.553519 0.702675 Br\n0.709659 0.792882 0.373940 Br\n0.226563 0.117222 0.265059 Br\n0.779971 0.220622 0.705102 Br\n0.764180 0.448978 0.361080 Br\n0.262086 0.653799 0.018895 Br\n0.773437 0.117222 0.383277 Br\n0.267717 0.322684 0.025387 Br\n0.340110 0.995184 0.037648 Br\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Li",
"U",
"Br"
],
"chemical_system": "Br-Li-U",
"density": 3.8078290826358003,
"density_atomic": 0.02821984042881411,
"volume": 956.7736595856659,
"volume_molar": 21.34009501290816,
"formula_full": "Li6 U3 Br18",
"formula_reduced": "Li2UBr6",
"formula_anonymous": "AB2C6",
"energy": -121.75414492999998,
"energy_per_atom": -4.509412775185185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.14214493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1528609,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.575000Z",
"spacegroup": 5
},
{
"id": "mp-1065514",
"created_at": "2022-09-04T14:46:53.160672Z",
"structure_string": "Y1 Tl1 Te2\n1.0\n8.301425 -2.233796 0.000000\n8.301425 2.233796 0.000000\n7.700342 0.000000 3.822072\nY Tl Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.762431 0.762431 0.762431 Te\n0.237569 0.237569 0.237569 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tl",
"Te"
],
"chemical_system": "Te-Tl-Y",
"density": 6.42528093485992,
"density_atomic": 0.02821856820733291,
"volume": 141.75063634024335,
"volume_molar": 21.341057121512918,
"formula_full": "Y1 Tl1 Te2",
"formula_reduced": "YTlTe2",
"formula_anonymous": "ABC2",
"energy": -20.22650762,
"energy_per_atom": -5.056626905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.38250762,
"band_gap": 0.8306000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002012,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.529000Z",
"spacegroup": 166
},
{
"id": "mp-123",
"created_at": "2022-09-04T14:45:43.137821Z",
"structure_string": "Nd4\n1.0\n1.853540 -3.210425 0.000000\n1.853540 3.210425 0.000000\n0.000000 0.000000 11.910868\nNd\n4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.758696200879876,
"density_atomic": 0.02821773123628453,
"volume": 141.75484083059422,
"volume_molar": 21.341690122330842,
"formula_full": "Nd4",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -19.07257284,
"energy_per_atom": -4.76814321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.07257284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0245764,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.999000Z",
"spacegroup": 194
},
{
"id": "mp-1209619",
"created_at": "2022-09-04T14:39:11.568636Z",
"structure_string": "Rb3 Bi1 F6\n1.0\n-4.527696 -7.833158 1.209332\n-2.688600 6.772326 -0.662532\n0.792550 1.600435 -7.091492\nRb Bi F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Bi\n0.071367 0.301339 0.774063 F\n0.928633 0.698662 0.225937 F\n0.782776 0.710739 0.775121 F\n0.217224 0.289261 0.224879 F\n0.771957 0.995183 0.064867 F\n0.228043 0.004817 0.935133 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"F"
],
"chemical_system": "Bi-F-Rb",
"density": 2.7145573903348197,
"density_atomic": 0.02821569577934695,
"volume": 354.41266726868037,
"volume_molar": 21.34322969419038,
"formula_full": "Rb3 Bi1 F6",
"formula_reduced": "Rb3BiF6",
"formula_anonymous": "AB3C6",
"energy": -46.595487430000006,
"energy_per_atom": -4.659548743,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.82348743,
"band_gap": 4.5367,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.79e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.933000Z",
"spacegroup": 166
},
{
"id": "mp-1186714",
"created_at": "2022-09-04T14:45:11.659800Z",
"structure_string": "Sm6 Eu2\n1.0\n3.703228 -6.414180 0.000000\n3.703228 6.414180 0.000000\n0.000000 0.000000 5.968569\nSm Eu\n6 2\ndirect\n0.163766 0.327533 0.250000 Sm\n0.672467 0.836234 0.250000 Sm\n0.163766 0.836234 0.250000 Sm\n0.836234 0.672467 0.750000 Sm\n0.327533 0.163766 0.750000 Sm\n0.836234 0.163766 0.750000 Sm\n0.333333 0.666667 0.750000 Eu\n0.666667 0.333333 0.250000 Eu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Eu"
],
"chemical_system": "Eu-Sm",
"density": 7.063277752953962,
"density_atomic": 0.028214228394587995,
"volume": 283.54487984277273,
"volume_molar": 21.344339727380802,
"formula_full": "Sm6 Eu2",
"formula_reduced": "Sm3Eu",
"formula_anonymous": "AB3",
"energy": -48.2154543,
"energy_per_atom": -6.0269317875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.2154543,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1609014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.620000Z",
"spacegroup": 194
},
{
"id": "mp-1189791",
"created_at": "2022-09-04T14:42:04.729722Z",
"structure_string": "Y8 Te12\n1.0\n0.000000 6.164065 13.161631\n4.368942 0.000000 13.161631\n4.368942 6.164065 0.000000\nY Te\n8 12\ndirect\n0.332841 0.332841 0.167159 Y\n0.167159 0.167159 0.332841 Y\n0.917159 0.917159 0.082841 Y\n0.082841 0.082841 0.917159 Y\n0.999947 0.999947 0.500053 Y\n0.500053 0.500053 0.999947 Y\n0.250053 0.250053 0.749947 Y\n0.749947 0.749947 0.250053 Y\n0.996978 0.503022 0.503022 Te\n0.503022 0.996978 0.996978 Te\n0.253022 0.746978 0.746978 Te\n0.746978 0.253022 0.253022 Te\n0.666009 0.168100 0.832775 Te\n0.832775 0.333116 0.666009 Te\n0.333116 0.832775 0.168100 Te\n0.168100 0.666009 0.333116 Te\n0.583991 0.081900 0.417225 Te\n0.417225 0.916884 0.583991 Te\n0.916884 0.417225 0.081900 Te\n0.081900 0.583991 0.916884 Te\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Y",
"Te"
],
"chemical_system": "Te-Y",
"density": 5.252765956442909,
"density_atomic": 0.028212839635675533,
"volume": 708.8970928934682,
"volume_molar": 21.34539038879631,
"formula_full": "Y8 Te12",
"formula_reduced": "Y2Te3",
"formula_anonymous": "A2B3",
"energy": -123.17042995,
"energy_per_atom": -6.1585214975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.10642995,
"band_gap": 0.5592999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.006762,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.960000Z",
"spacegroup": 70
},
{
"id": "mp-1173794",
"created_at": "2022-09-04T14:41:45.791367Z",
"structure_string": "Na18 O3\n1.0\n3.318478 -9.968007 0.000000\n3.318478 9.968007 0.000000\n0.000000 0.000000 11.251405\nNa O\n18 3\ndirect\n0.671330 0.328670 0.011941 Na\n0.821895 0.630187 0.256153 Na\n0.000000 0.500000 0.241845 Na\n0.167554 0.832446 0.505921 Na\n0.000000 0.500000 0.746656 Na\n0.154628 0.308531 0.756670 Na\n0.328670 0.671330 0.011941 Na\n0.308531 0.154628 0.756670 Na\n0.500000 0.000000 0.746656 Na\n0.178105 0.369813 0.256153 Na\n0.369813 0.178105 0.256153 Na\n0.500000 0.000000 0.241845 Na\n0.500000 0.500000 0.501093 Na\n0.630187 0.821895 0.256153 Na\n0.832446 0.167554 0.505921 Na\n0.691469 0.845372 0.756670 Na\n0.845372 0.691469 0.756670 Na\n0.000000 0.000000 0.998877 Na\n0.675575 0.324425 0.206788 O\n0.324425 0.675575 0.206788 O\n0.000000 0.000000 0.804437 O\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Na",
"O"
],
"chemical_system": "Na-O",
"density": 1.0302252878249745,
"density_atomic": 0.0282120902414654,
"volume": 744.3617193998176,
"volume_molar": 21.34595738372059,
"formula_full": "Na18 O3",
"formula_reduced": "Na6O",
"formula_anonymous": "AB6",
"energy": -48.56244117,
"energy_per_atom": -2.3124971985714287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.50144117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.217000Z",
"spacegroup": 35
},
{
"id": "mp-1105896",
"created_at": "2022-09-04T14:48:27.325988Z",
"structure_string": "La10 Pb6\n1.0\n4.834686 -8.373921 0.000000\n4.834686 8.373921 0.000000\n0.000000 0.000000 7.004490\nLa Pb\n10 6\ndirect\n0.666667 0.333333 0.500000 La\n0.333333 0.666667 0.500000 La\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.000000 La\n0.753375 0.753375 0.250000 La\n0.246625 0.000000 0.250000 La\n0.000000 0.246625 0.250000 La\n0.246625 0.246625 0.750000 La\n0.753375 0.000000 0.750000 La\n0.000000 0.753375 0.750000 La\n0.389420 0.389420 0.250000 Pb\n0.610580 0.000000 0.250000 Pb\n0.000000 0.610580 0.250000 Pb\n0.610580 0.610580 0.750000 Pb\n0.389420 0.000000 0.750000 Pb\n0.000000 0.389420 0.750000 Pb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"La",
"Pb"
],
"chemical_system": "La-Pb",
"density": 7.706787060297851,
"density_atomic": 0.028210860598253833,
"volume": 567.1574585353256,
"volume_molar": 21.34688780239746,
"formula_full": "La10 Pb6",
"formula_reduced": "La5Pb3",
"formula_anonymous": "A3B5",
"energy": -80.47052775,
"energy_per_atom": -5.029407984375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.47052775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2469585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:41.873000Z",
"spacegroup": 193
},
{
"id": "mp-1094323",
"created_at": "2022-09-04T14:39:58.934789Z",
"structure_string": "Sr2 Mg4\n1.0\n2.026057 -3.509234 0.000000\n2.026057 3.509234 0.000000\n0.000000 0.000000 14.957651\nSr Mg\n2 4\ndirect\n0.666667 0.333333 0.182081 Sr\n0.666667 0.333333 0.817919 Sr\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.367063 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.632937 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.1271321437630326,
"density_atomic": 0.028209401429835627,
"volume": 212.69504831301063,
"volume_molar": 21.34799199826584,
"formula_full": "Sr2 Mg4",
"formula_reduced": "SrMg2",
"formula_anonymous": "AB2",
"energy": -8.70435462,
"energy_per_atom": -1.45072577,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.70435462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0836784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.241000Z",
"spacegroup": 187
},
{
"id": "mp-1215930",
"created_at": "2022-09-04T14:42:00.926645Z",
"structure_string": "Y1 Bi1 Te3\n1.0\n10.613741 -2.203664 0.000000\n10.613741 2.203664 0.000000\n10.156208 0.000000 3.789336\nY Bi Te\n1 1 3\ndirect\n0.601518 0.601518 0.601518 Y\n0.399275 0.399275 0.399275 Bi\n0.996310 0.996310 0.996310 Te\n0.786380 0.786380 0.786380 Te\n0.216516 0.216516 0.216516 Te\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Bi",
"Te"
],
"chemical_system": "Bi-Te-Y",
"density": 6.376598920494423,
"density_atomic": 0.028207398256209788,
"volume": 177.25846086848023,
"volume_molar": 21.349508045018798,
"formula_full": "Y1 Bi1 Te3",
"formula_reduced": "YBiTe3",
"formula_anonymous": "ABC3",
"energy": -25.08876068,
"energy_per_atom": -5.017752136,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.82276068,
"band_gap": 1.0246999999999993,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0068538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.124000Z",
"spacegroup": 160
},
{
"id": "mp-4405",
"created_at": "2022-09-04T14:47:20.989499Z",
"structure_string": "Rb3 Au1 O1\n1.0\n5.617516 0.000000 0.000000\n0.000000 5.617516 0.000000\n0.000000 0.000000 5.617516\nRb Au O\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Au",
"O"
],
"chemical_system": "Au-O-Rb",
"density": 4.396741042200422,
"density_atomic": 0.028205710895623237,
"volume": 177.26906506638926,
"volume_molar": 21.350785244467897,
"formula_full": "Rb3 Au1 O1",
"formula_reduced": "Rb3AuO",
"formula_anonymous": "ABC3",
"energy": -15.24352066,
"energy_per_atom": -3.048704132,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.55652066,
"band_gap": 0.1978999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015568,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.829000Z",
"spacegroup": 221
}
]
}