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=nsites&page=1748",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=1746",
"results": [
{
"id": "mp-1077428",
"created_at": "2022-09-04T14:39:24.920871Z",
"structure_string": "Nd1 Cu4 Ag1\n1.0\n0.000000 3.626922 3.626922\n3.626922 0.000000 3.626922\n3.626922 3.626922 0.000000\nNd Cu Ag\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.622984 0.622984 0.131047 Cu\n0.622984 0.131047 0.622984 Cu\n0.131047 0.622984 0.622984 Cu\n0.622984 0.622984 0.622984 Cu\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Nd",
"density": 8.81063898808413,
"density_atomic": 0.06287914203653441,
"volume": 95.42114929802706,
"volume_molar": 9.577326542561568,
"formula_full": "Nd1 Cu4 Ag1",
"formula_reduced": "NdCu4Ag",
"formula_anonymous": "ABC4",
"energy": -25.13930104,
"energy_per_atom": -4.189883506666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.13930104,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025485,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.894000Z",
"spacegroup": 216
},
{
"id": "mp-1094163",
"created_at": "2022-09-04T14:39:26.489104Z",
"structure_string": "La2 Mg4\n1.0\n1.696665 -8.961176 0.000000\n1.696665 8.961176 0.000000\n0.000000 0.000000 5.659842\nLa Mg\n2 4\ndirect\n0.890384 0.109616 0.250000 La\n0.109616 0.890384 0.750000 La\n0.556704 0.443296 0.250000 Mg\n0.219805 0.780195 0.250000 Mg\n0.780195 0.219805 0.750000 Mg\n0.443296 0.556704 0.750000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Mg"
],
"chemical_system": "La-Mg",
"density": 3.6184350750544287,
"density_atomic": 0.034862284205824746,
"volume": 172.10576233549057,
"volume_molar": 17.274085439857174,
"formula_full": "La2 Mg4",
"formula_reduced": "LaMg2",
"formula_anonymous": "AB2",
"energy": -16.5097647,
"energy_per_atom": -2.7516274500000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.5097647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027386,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.388000Z",
"spacegroup": 63
},
{
"id": "mp-1094487",
"created_at": "2022-09-04T14:39:26.317182Z",
"structure_string": "Y3 Mg3\n1.0\n1.725045 -2.987866 0.000000\n1.725045 2.987866 0.000000\n0.000000 0.000000 16.650023\nY Mg\n3 3\ndirect\n0.666667 0.333333 0.000000 Y\n0.000000 0.000000 0.821108 Y\n0.000000 0.000000 0.178892 Y\n0.666667 0.333333 0.654289 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.345711 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.2858824657360914,
"density_atomic": 0.03495786267184981,
"volume": 171.63520711555296,
"volume_molar": 17.22685627702689,
"formula_full": "Y3 Mg3",
"formula_reduced": "YMg",
"formula_anonymous": "AB",
"energy": -24.02449074,
"energy_per_atom": -4.00408179,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.02449074,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.859000Z",
"spacegroup": 187
},
{
"id": "mp-1220708",
"created_at": "2022-09-04T14:39:25.326968Z",
"structure_string": "Na1 Ho1 F4\n1.0\n3.809089 0.000000 0.000000\n0.000000 3.809089 0.000000\n0.000000 0.000000 5.566885\nNa Ho F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ho\n0.500000 0.000000 0.728148 F\n0.000000 0.500000 0.271852 F\n0.500000 0.000000 0.271852 F\n0.000000 0.500000 0.728148 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Ho",
"F"
],
"chemical_system": "F-Ho-Na",
"density": 5.425709611305752,
"density_atomic": 0.07428425297195475,
"volume": 80.77081965494408,
"volume_molar": 8.10688742104413,
"formula_full": "Na1 Ho1 F4",
"formula_reduced": "NaHoF4",
"formula_anonymous": "ABC4",
"energy": -37.51974824,
"energy_per_atom": -6.253291373333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.67174824,
"band_gap": 6.721,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.161000Z",
"spacegroup": 123
},
{
"id": "mp-1217320",
"created_at": "2022-09-04T14:39:31.410358Z",
"structure_string": "Te2 As4\n1.0\n-3.556454 3.556454 2.940516\n3.556454 -3.556454 2.940516\n3.556454 3.556454 -2.940516\nTe As\n2 4\ndirect\n0.000000 0.000000 0.000000 Te\n0.250000 0.750000 0.500000 Te\n0.625000 0.375000 0.750000 As\n0.625000 0.875000 0.250000 As\n0.625000 0.375000 0.250000 As\n0.125000 0.375000 0.750000 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Te",
"As"
],
"chemical_system": "As-Te",
"density": 6.193487255682003,
"density_atomic": 0.040330473475514134,
"volume": 148.77087926187585,
"volume_molar": 14.931986265066355,
"formula_full": "Te2 As4",
"formula_reduced": "TeAs2",
"formula_anonymous": "AB2",
"energy": -23.68367121,
"energy_per_atom": -3.947278535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.68367121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.305000Z",
"spacegroup": 141
},
{
"id": "mp-21105",
"created_at": "2022-09-04T14:39:25.105047Z",
"structure_string": "Pu2 Si4\n1.0\n-2.000102 2.000102 7.027691\n2.000102 -2.000102 7.027691\n2.000102 2.000102 -7.027691\nPu Si\n2 4\ndirect\n0.500000 0.500000 0.000000 Pu\n0.250000 0.750000 0.500000 Pu\n0.832737 0.332737 0.500000 Si\n0.082737 0.082737 0.000000 Si\n0.667263 0.167263 0.500000 Si\n0.917263 0.917263 0.000000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pu",
"Si"
],
"chemical_system": "Pu-Si",
"density": 8.86483972102173,
"density_atomic": 0.053354900340086955,
"volume": 112.45452548417639,
"volume_molar": 11.28694969274529,
"formula_full": "Pu2 Si4",
"formula_reduced": "PuSi2",
"formula_anonymous": "AB2",
"energy": -52.86240902,
"energy_per_atom": -8.810401503333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.14640902000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0143072,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.903000Z",
"spacegroup": 141
},
{
"id": "mp-1187158",
"created_at": "2022-09-04T14:39:25.090922Z",
"structure_string": "Sr2 Br4\n1.0\n7.166314 0.000000 0.000000\n0.000000 7.166314 0.000000\n0.000000 0.000000 4.715678\nSr Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.303883 0.303883 0.000000 Br\n0.696117 0.696117 0.000000 Br\n0.196117 0.803883 0.500000 Br\n0.803883 0.196117 0.500000 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Br"
],
"chemical_system": "Br-Sr",
"density": 3.393064602908686,
"density_atomic": 0.02477510142774989,
"volume": 242.1786250804031,
"volume_molar": 24.307229488290893,
"formula_full": "Sr2 Br4",
"formula_reduced": "SrBr2",
"formula_anonymous": "AB2",
"energy": -24.86518802,
"energy_per_atom": -4.144198003333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.72918802,
"band_gap": 4.386,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.812000Z",
"spacegroup": 136
},
{
"id": "mp-1094178",
"created_at": "2022-09-04T14:39:27.649749Z",
"structure_string": "La5 Mg1\n1.0\n1.897778 6.524662 0.000000\n-1.897778 6.524662 0.000000\n0.000000 2.668893 8.474449\nLa Mg\n5 1\ndirect\n0.005295 0.005295 0.036866 La\n0.314391 0.314391 0.332677 La\n0.951263 0.951263 0.573651 La\n0.662829 0.662829 0.683997 La\n0.285270 0.285270 0.934299 La\n0.614285 0.614285 0.271844 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Mg"
],
"chemical_system": "La-Mg",
"density": 5.687636317174658,
"density_atomic": 0.02858948669092352,
"volume": 209.86735665683906,
"volume_molar": 21.064179378610135,
"formula_full": "La5 Mg1",
"formula_reduced": "La5Mg",
"formula_anonymous": "AB5",
"energy": -26.23067135,
"energy_per_atom": -4.371778558333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.23067135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0282553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.557000Z",
"spacegroup": 8
},
{
"id": "mp-1077179",
"created_at": "2022-09-04T14:39:30.315259Z",
"structure_string": "As4 W2\n1.0\n1.673138 4.582239 0.000000\n-1.673138 4.582239 0.000000\n0.000000 3.829405 6.800272\nAs W\n4 2\ndirect\n0.403954 0.403954 0.889543 As\n0.596046 0.596046 0.110457 As\n0.854541 0.854541 0.531613 As\n0.145459 0.145459 0.468387 As\n0.151826 0.151826 0.798686 W\n0.848174 0.848174 0.201314 W\n",
"nsites": 6,
"nelements": 2,
"elements": [
"As",
"W"
],
"chemical_system": "As-W",
"density": 10.627904781026299,
"density_atomic": 0.057542068582417685,
"volume": 104.27153816005382,
"volume_molar": 10.465631334359259,
"formula_full": "As4 W2",
"formula_reduced": "As2W",
"formula_anonymous": "AB2",
"energy": -44.94079717,
"energy_per_atom": -7.490132861666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.94079717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015976,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.137000Z",
"spacegroup": 12
},
{
"id": "mp-1025070",
"created_at": "2022-09-04T14:39:31.568912Z",
"structure_string": "Y1 Co2 B2 C1\n1.0\n-1.768858 1.768858 5.186128\n1.768858 -1.768858 5.186128\n1.768858 1.768858 -5.186128\nY Co B C\n1 2 2 1\ndirect\n0.500000 0.500000 0.000000 Y\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.145466 0.145466 0.000000 B\n0.854534 0.854534 0.000000 B\n0.000000 0.000000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Y",
"Co",
"B",
"C"
],
"chemical_system": "B-C-Co-Y",
"density": 6.1503994387722,
"density_atomic": 0.09244045774594548,
"volume": 64.90664527527359,
"volume_molar": 6.514615901784775,
"formula_full": "Y1 Co2 B2 C1",
"formula_reduced": "YCo2B2C",
"formula_anonymous": "ABC2D2",
"energy": -45.91270916,
"energy_per_atom": -7.652118193333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.91270916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3218258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.926000Z",
"spacegroup": 139
},
{
"id": "mp-1187",
"created_at": "2022-09-04T14:39:24.056152Z",
"structure_string": "Th2 Ir4\n1.0\n0.000000 3.857827 3.857827\n3.857827 0.000000 3.857827\n3.857827 3.857827 0.000000\nTh Ir\n2 4\ndirect\n0.250000 0.250000 0.250000 Th\n0.000000 0.000000 0.000000 Th\n0.625000 0.625000 0.625000 Ir\n0.125000 0.625000 0.625000 Ir\n0.625000 0.125000 0.625000 Ir\n0.625000 0.625000 0.125000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Ir"
],
"chemical_system": "Ir-Th",
"density": 17.82929828099463,
"density_atomic": 0.05225080789741582,
"volume": 114.83076035455413,
"volume_molar": 11.52545004054921,
"formula_full": "Th2 Ir4",
"formula_reduced": "ThIr2",
"formula_anonymous": "AB2",
"energy": -55.18109661,
"energy_per_atom": -9.196849434999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.18109661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018641,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.638000Z",
"spacegroup": 227
},
{
"id": "mp-1222749",
"created_at": "2022-09-04T14:39:25.173760Z",
"structure_string": "La1 Zn2 Ni3\n1.0\n0.000000 0.000000 -3.907402\n-5.241958 -0.001313 0.000000\n-2.619841 4.540325 0.000000\nLa Zn Ni\n1 2 3\ndirect\n0.000000 0.999978 0.000022 La\n0.000000 0.333343 0.333398 Zn\n0.000000 0.666602 0.666657 Zn\n0.500000 0.499994 0.500006 Ni\n0.500000 0.499995 0.000013 Ni\n0.500000 0.999987 0.500005 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Zn",
"Ni"
],
"chemical_system": "La-Ni-Zn",
"density": 7.959053063031104,
"density_atomic": 0.06450894118271332,
"volume": 93.01036243961543,
"volume_molar": 9.335358245833019,
"formula_full": "La1 Zn2 Ni3",
"formula_reduced": "LaZn2Ni3",
"formula_anonymous": "AB2C3",
"energy": -26.95622418,
"energy_per_atom": -4.49270403,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.95622418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.702000Z",
"spacegroup": 191
}
]
}