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=-nelements&page=12177",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12175",
"results": [
{
"id": "mp-20736",
"created_at": "2022-09-04T14:43:11.653933Z",
"structure_string": "Ce2\n1.0\n1.630513 -2.824131 0.000000\n1.630513 2.824131 0.000000\n0.000000 0.000000 5.756325\nCe\n2\ndirect\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.750000 Ce\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.777734049276512,
"density_atomic": 0.037726419550126664,
"volume": 53.01324705204593,
"volume_molar": 15.96266179460378,
"formula_full": "Ce2",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -11.70331842,
"energy_per_atom": -5.85165921,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.70331842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0360008,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.285000Z",
"spacegroup": 194
},
{
"id": "mp-20071",
"created_at": "2022-09-04T14:43:14.999259Z",
"structure_string": "Eu1\n1.0\n-2.319517 2.319517 2.319517\n2.319517 -2.319517 2.319517\n2.319517 2.319517 -2.319517\nEu\n1\ndirect\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.055186040663921,
"density_atomic": 0.020033061722108975,
"volume": 49.917482103915034,
"volume_molar": 30.06101036145573,
"formula_full": "Eu1",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -10.20868622,
"energy_per_atom": -10.20868622,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.20868622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1951804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.531000Z",
"spacegroup": 229
},
{
"id": "mp-630227",
"created_at": "2022-09-04T14:43:09.698906Z",
"structure_string": "C60\n1.0\n-4.564359 4.585472 7.585401\n4.564359 -4.585472 7.585401\n4.564359 4.585472 -7.585401\nC\n60\ndirect\n0.235781 0.701088 0.034030 C\n0.332942 0.798249 0.034030 C\n0.360268 0.947356 0.412913 C\n0.917051 0.089496 0.669185 C\n0.082128 0.590078 0.826883 C\n0.917872 0.409922 0.173117 C\n0.579689 0.752134 0.669185 C\n0.323510 0.352175 0.282972 C\n0.667058 0.701088 0.465307 C\n0.764219 0.798249 0.465307 C\n0.069203 0.040537 0.717028 C\n0.930797 0.647825 0.971334 C\n0.769908 0.566097 0.635304 C\n0.639732 0.052644 0.587087 C\n0.465557 0.052644 0.412913 C\n0.774653 0.698435 0.923782 C\n0.082128 0.255244 0.492050 C\n0.917051 0.247866 0.827555 C\n0.930797 0.959463 0.282972 C\n0.667058 0.201751 0.965970 C\n0.534443 0.947356 0.587087 C\n0.676490 0.647825 0.717028 C\n0.239268 0.033940 0.463442 C\n0.911650 0.587976 0.499626 C\n0.323510 0.040537 0.971334 C\n0.088350 0.412024 0.500374 C\n0.930793 0.134604 0.364696 C\n0.069203 0.352175 0.028666 C\n0.676490 0.959463 0.028666 C\n0.760732 0.966060 0.536558 C\n0.429503 0.966060 0.205328 C\n0.239268 0.775826 0.205328 C\n0.420311 0.247866 0.330815 C\n0.082949 0.910504 0.330815 C\n0.760732 0.224174 0.794672 C\n0.917872 0.744756 0.507950 C\n0.236806 0.744756 0.826883 C\n0.069207 0.865396 0.635304 C\n0.088350 0.587976 0.676325 C\n0.332942 0.298912 0.534693 C\n0.930793 0.566097 0.796190 C\n0.420311 0.089496 0.172445 C\n0.429503 0.224174 0.463442 C\n0.570497 0.775826 0.536558 C\n0.236806 0.409922 0.492050 C\n0.763194 0.255244 0.173117 C\n0.230092 0.865396 0.796190 C\n0.570497 0.033940 0.794672 C\n0.230092 0.433903 0.364696 C\n0.579689 0.910504 0.827555 C\n0.769908 0.134604 0.203810 C\n0.774653 0.850871 0.076218 C\n0.763194 0.590078 0.507950 C\n0.225347 0.301565 0.076218 C\n0.069207 0.433903 0.203810 C\n0.764219 0.298912 0.965970 C\n0.911650 0.412024 0.323675 C\n0.082949 0.752134 0.172445 C\n0.235781 0.201751 0.534693 C\n0.225347 0.149129 0.923782 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.884370470376474,
"density_atomic": 0.09448195542737846,
"volume": 635.0418948104617,
"volume_molar": 6.373852798409523,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -529.98739764,
"energy_per_atom": -8.833123294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -529.98739764,
"band_gap": 0.8110999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005625,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.783000Z",
"spacegroup": 71
},
{
"id": "mp-568348",
"created_at": "2022-09-04T14:43:05.516216Z",
"structure_string": "P84\n1.0\n9.260506 0.000000 0.000000\n0.000000 9.290484 0.000000\n0.000000 5.950707 23.366553\nP\n84\ndirect\n0.392435 0.044641 0.419902 P\n0.406288 0.251112 0.449492 P\n0.798587 0.297630 0.821487 P\n0.163196 0.998024 0.053026 P\n0.642474 0.482829 0.036716 P\n0.140312 0.791830 0.418910 P\n0.785103 0.075630 0.117705 P\n0.322549 0.788404 0.831157 P\n0.385897 0.855602 0.173614 P\n0.099939 0.140652 0.174799 P\n0.635538 0.687959 0.068136 P\n0.964657 0.827710 0.618809 P\n0.948287 0.045317 0.321522 P\n0.798587 0.702370 0.678513 P\n0.450749 0.562094 0.332123 P\n0.317364 0.052371 0.203643 P\n0.140312 0.208170 0.081090 P\n0.900061 0.859348 0.825201 P\n0.642474 0.517171 0.463284 P\n0.357526 0.482829 0.536716 P\n0.035343 0.172290 0.381191 P\n0.866829 0.539498 0.429935 P\n0.964657 0.172290 0.881191 P\n0.513296 0.313194 0.104244 P\n0.051713 0.045317 0.821522 P\n0.719600 0.422451 0.882584 P\n0.051713 0.954683 0.678478 P\n0.549251 0.562094 0.832123 P\n0.607565 0.955359 0.580098 P\n0.614103 0.855602 0.673614 P\n0.406288 0.748888 0.050508 P\n0.133171 0.539498 0.929935 P\n0.549251 0.437906 0.667877 P\n0.280400 0.422451 0.382584 P\n0.035343 0.827710 0.118809 P\n0.644763 0.584786 0.162581 P\n0.355237 0.415214 0.837419 P\n0.866829 0.460502 0.070065 P\n0.133171 0.460502 0.570065 P\n0.820704 0.590591 0.336043 P\n0.607565 0.044641 0.919902 P\n0.163196 0.001976 0.446974 P\n0.682636 0.947629 0.796357 P\n0.179296 0.590591 0.836043 P\n0.836804 0.998024 0.553026 P\n0.355237 0.584786 0.662581 P\n0.635538 0.312041 0.431864 P\n0.593712 0.251112 0.949492 P\n0.322549 0.211596 0.668843 P\n0.593712 0.748888 0.550508 P\n0.785103 0.924370 0.382295 P\n0.214897 0.924370 0.882295 P\n0.201413 0.297630 0.321487 P\n0.677451 0.211596 0.168843 P\n0.357526 0.517171 0.963284 P\n0.317364 0.947629 0.296357 P\n0.513296 0.686806 0.395756 P\n0.214897 0.075630 0.617705 P\n0.644763 0.415214 0.337419 P\n0.719600 0.577549 0.617416 P\n0.900061 0.140652 0.674799 P\n0.280400 0.577549 0.117416 P\n0.450749 0.437906 0.167877 P\n0.085117 0.755384 0.948705 P\n0.364462 0.687959 0.568136 P\n0.682636 0.052371 0.703643 P\n0.677451 0.788404 0.331157 P\n0.385897 0.144398 0.326386 P\n0.914883 0.755384 0.448705 P\n0.364462 0.312041 0.931864 P\n0.099939 0.859348 0.325201 P\n0.820704 0.409409 0.163957 P\n0.859688 0.208170 0.581090 P\n0.486704 0.313194 0.604244 P\n0.486704 0.686806 0.895756 P\n0.914883 0.244616 0.051295 P\n0.859688 0.791830 0.918910 P\n0.179296 0.409409 0.663957 P\n0.836804 0.001976 0.946974 P\n0.085117 0.244616 0.551295 P\n0.614103 0.144398 0.826386 P\n0.948287 0.954683 0.178478 P\n0.201413 0.702370 0.178513 P\n0.392435 0.955359 0.080098 P\n",
"nsites": 84,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 2.1490901450835844,
"density_atomic": 0.0417841506113939,
"volume": 2010.3316394110088,
"volume_molar": 14.412500127160309,
"formula_full": "P84",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -454.32817717,
"energy_per_atom": -5.408668775833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -454.32817717,
"band_gap": 1.8454,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017309,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.644000Z",
"spacegroup": 13
},
{
"id": "mp-3",
"created_at": "2022-09-04T14:42:41.723442Z",
"structure_string": "Cs2\n1.0\n-2.572204 2.572204 9.304593\n2.572204 -2.572204 9.304593\n2.572204 2.572204 -9.304593\nCs\n2\ndirect\n0.250000 0.750000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.7924774413130244,
"density_atomic": 0.008121977925001916,
"volume": 246.2454365756637,
"volume_molar": 74.14623402831495,
"formula_full": "Cs2",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -1.59801038,
"energy_per_atom": -0.79900519,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.59801038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0200169,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.460000Z",
"spacegroup": 141
},
{
"id": "mp-160",
"created_at": "2022-09-04T14:42:45.224810Z",
"structure_string": "B12\n1.0\n4.416315 -2.449989 0.000000\n4.416315 2.449989 0.000000\n3.057163 0.000000 4.019955\nB\n12\ndirect\n0.654034 0.010308 0.010308 B\n0.010308 0.010308 0.654034 B\n0.010308 0.654034 0.010308 B\n0.989692 0.345966 0.989692 B\n0.345966 0.989692 0.989692 B\n0.989692 0.989692 0.345966 B\n0.630458 0.221130 0.221130 B\n0.221130 0.221130 0.630458 B\n0.221130 0.630458 0.221130 B\n0.778870 0.369542 0.778870 B\n0.369542 0.778870 0.778870 B\n0.778870 0.778870 0.369542 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.476400292715375,
"density_atomic": 0.13794497406336956,
"volume": 86.99120849801606,
"volume_molar": 4.365610853813008,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -80.15270125,
"energy_per_atom": -6.679391770833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.15270125,
"band_gap": 1.4333999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002856,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.369000Z",
"spacegroup": 166
},
{
"id": "mp-129",
"created_at": "2022-09-04T14:42:41.637494Z",
"structure_string": "Mo1\n1.0\n-1.583809 1.583809 1.583809\n1.583809 -1.583809 1.583809\n1.583809 1.583809 -1.583809\nMo\n1\ndirect\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 10.02490811516209,
"density_atomic": 0.06292621200378933,
"volume": 15.891628753050979,
"volume_molar": 9.570162525653629,
"formula_full": "Mo1",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -10.84564303,
"energy_per_atom": -10.84564303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.84564303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001574,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.099000Z",
"spacegroup": 229
},
{
"id": "mp-570778",
"created_at": "2022-09-04T14:42:41.956377Z",
"structure_string": "Cl16\n1.0\n11.765809 0.000000 0.000000\n0.000000 11.765809 0.000000\n0.000000 0.000000 8.203525\nCl\n16\ndirect\n0.344483 0.606098 0.639232 Cl\n0.844483 0.893902 0.360768 Cl\n0.106098 0.844483 0.639232 Cl\n0.893902 0.155517 0.639232 Cl\n0.844483 0.106098 0.860768 Cl\n0.344483 0.393902 0.139232 Cl\n0.155517 0.893902 0.860768 Cl\n0.655517 0.606098 0.139232 Cl\n0.893902 0.844483 0.139232 Cl\n0.655517 0.393902 0.639232 Cl\n0.393902 0.655517 0.860768 Cl\n0.393902 0.344483 0.360768 Cl\n0.606098 0.655517 0.360768 Cl\n0.606098 0.344483 0.860768 Cl\n0.155517 0.106098 0.360768 Cl\n0.106098 0.155517 0.139232 Cl\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Cl"
],
"chemical_system": "Cl",
"density": 0.829426633679966,
"density_atomic": 0.014088861139649257,
"volume": 1135.6489244522656,
"volume_molar": 42.743985481213436,
"formula_full": "Cl16",
"formula_reduced": "Cl",
"formula_anonymous": "A",
"energy": -29.01693064,
"energy_per_atom": -1.813558165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.01693064,
"band_gap": 2.558,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.876000Z",
"spacegroup": 138
},
{
"id": "mp-1184502",
"created_at": "2022-09-04T14:42:39.769064Z",
"structure_string": "In3\n1.0\n8.523985 -1.666431 0.000000\n8.523985 1.666431 0.000000\n8.198199 0.000000 2.867898\nIn\n3\ndirect\n0.000000 0.000000 0.000000 In\n0.778336 0.778336 0.778336 In\n0.221664 0.221664 0.221664 In\n",
"nsites": 3,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 7.020315339450969,
"density_atomic": 0.03682116668847311,
"volume": 81.47487626835985,
"volume_molar": 16.355105776388218,
"formula_full": "In3",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -8.25505119,
"energy_per_atom": -2.75168373,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.25505119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.063000Z",
"spacegroup": 166
},
{
"id": "mp-30",
"created_at": "2022-09-04T14:43:33.698594Z",
"structure_string": "Cu1\n1.0\n0.000000 1.810631 1.810631\n1.810631 0.000000 1.810631\n1.810631 1.810631 0.000000\nCu\n1\ndirect\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.888274633075854,
"density_atomic": 0.08423258894724725,
"volume": 11.871889639130941,
"volume_molar": 7.149419049403213,
"formula_full": "Cu1",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy": -4.09920667,
"energy_per_atom": -4.09920667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.09920667,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.758000Z",
"spacegroup": 225
},
{
"id": "mp-1197020",
"created_at": "2022-09-04T14:43:34.611442Z",
"structure_string": "Ge34\n1.0\n0.000000 7.809953 7.809953\n7.809953 0.000000 7.809953\n7.809953 7.809953 0.000000\nGe\n34\ndirect\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Ge\n0.353724 0.353724 0.938828 Ge\n0.353724 0.938828 0.353724 Ge\n0.938828 0.353724 0.353724 Ge\n0.353724 0.353724 0.353724 Ge\n0.896276 0.896276 0.311172 Ge\n0.896276 0.311172 0.896276 Ge\n0.311172 0.896276 0.896276 Ge\n0.896276 0.896276 0.896276 Ge\n0.995239 0.387266 0.622256 Ge\n0.995239 0.995239 0.622256 Ge\n0.387266 0.995239 0.622256 Ge\n0.995239 0.622256 0.387266 Ge\n0.387266 0.622256 0.995239 Ge\n0.995239 0.622256 0.995239 Ge\n0.622256 0.995239 0.995239 Ge\n0.622256 0.387266 0.995239 Ge\n0.622256 0.995239 0.387266 Ge\n0.387266 0.995239 0.995239 Ge\n0.995239 0.995239 0.387266 Ge\n0.995239 0.387266 0.995239 Ge\n0.254761 0.862734 0.627744 Ge\n0.254761 0.254761 0.627744 Ge\n0.862734 0.254761 0.627744 Ge\n0.254761 0.627744 0.862734 Ge\n0.862734 0.627744 0.254761 Ge\n0.254761 0.627744 0.254761 Ge\n0.627744 0.254761 0.254761 Ge\n0.627744 0.862734 0.254761 Ge\n0.627744 0.254761 0.862734 Ge\n0.862734 0.254761 0.254761 Ge\n0.254761 0.254761 0.862734 Ge\n0.254761 0.862734 0.254761 Ge\n",
"nsites": 34,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 4.304558292269342,
"density_atomic": 0.03568647570846574,
"volume": 952.7418812033135,
"volume_molar": 16.875134460451626,
"formula_full": "Ge34",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -146.06889571,
"energy_per_atom": -4.296143991470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.06889571,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040314,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.433000Z",
"spacegroup": 227
},
{
"id": "mp-1008395",
"created_at": "2022-09-04T14:43:39.239163Z",
"structure_string": "C4\n1.0\n-2.189607 2.189607 1.257332\n2.189607 -2.189607 1.257332\n2.189607 2.189607 -1.257332\nC\n4\ndirect\n0.180288 0.180288 0.360576 C\n0.819712 0.819712 0.639424 C\n0.819712 0.180288 0.000000 C\n0.180288 0.819712 0.000000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3085301943573393,
"density_atomic": 0.16588903682562642,
"volume": 24.11250361411516,
"volume_molar": 3.6302222710052554,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -35.57433527,
"energy_per_atom": -8.8935838175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.57433527,
"band_gap": 2.3454,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.428000Z",
"spacegroup": 139
}
]
}