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=26",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=24",
"results": [
{
"id": "mp-998890",
"created_at": "2022-09-04T14:43:21.824903Z",
"structure_string": "Cu1\n1.0\n-1.436327 1.436327 1.436327\n1.436327 -1.436327 1.436327\n1.436327 1.436327 -1.436327\nCu\n1\ndirect\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.902610058969953,
"density_atomic": 0.08436844321442166,
"volume": 11.852772931444388,
"volume_molar": 7.137906698947594,
"formula_full": "Cu1",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy": -4.06256665,
"energy_per_atom": -4.06256665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.06256665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.329000Z",
"spacegroup": 229
},
{
"id": "mp-1064227",
"created_at": "2022-09-04T14:44:42.184887Z",
"structure_string": "Ca2\n1.0\n1.946036 -3.393191 0.000000\n1.946036 3.393191 0.000000\n0.000000 0.000000 6.430438\nCa\n2\ndirect\n0.840980 0.159020 0.250000 Ca\n0.159020 0.840980 0.750000 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.567311811896212,
"density_atomic": 0.02355050738387993,
"volume": 84.92386033979797,
"volume_molar": 25.57117204244224,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -3.99692089,
"energy_per_atom": -1.998460445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.99692089,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0153304,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.964000Z",
"spacegroup": 63
},
{
"id": "mp-1204046",
"created_at": "2022-09-04T14:46:37.044632Z",
"structure_string": "Si106\n1.0\n10.177411 0.000000 0.000000\n0.000000 10.177411 0.000000\n0.000000 0.000000 24.227295\nSi\n106\ndirect\n0.184245 0.316753 0.971264 Si\n0.815755 0.683247 0.971264 Si\n0.684245 0.816753 0.528736 Si\n0.315755 0.183247 0.528736 Si\n0.815755 0.316753 0.971264 Si\n0.184245 0.683247 0.971264 Si\n0.315755 0.816753 0.528736 Si\n0.684245 0.183247 0.528736 Si\n0.683247 0.184245 0.028736 Si\n0.316753 0.815755 0.028736 Si\n0.183247 0.684245 0.471264 Si\n0.816753 0.315755 0.471264 Si\n0.316753 0.184245 0.028736 Si\n0.683247 0.815755 0.028736 Si\n0.816753 0.684245 0.471264 Si\n0.183247 0.315755 0.471264 Si\n0.377933 0.294178 0.111379 Si\n0.622067 0.705822 0.111379 Si\n0.877933 0.794178 0.388621 Si\n0.122067 0.205822 0.388621 Si\n0.622067 0.294178 0.111379 Si\n0.377933 0.705822 0.111379 Si\n0.122067 0.794178 0.388621 Si\n0.877933 0.205822 0.388621 Si\n0.705822 0.377933 0.888621 Si\n0.294178 0.622067 0.888621 Si\n0.205822 0.877933 0.611379 Si\n0.794178 0.122067 0.611379 Si\n0.294178 0.377933 0.888621 Si\n0.705822 0.622067 0.888621 Si\n0.794178 0.877933 0.611379 Si\n0.205822 0.122067 0.611379 Si\n0.254706 0.179656 0.183173 Si\n0.745294 0.820344 0.183173 Si\n0.754706 0.679656 0.316827 Si\n0.245294 0.320344 0.316827 Si\n0.745294 0.179656 0.183173 Si\n0.254706 0.820344 0.183173 Si\n0.245294 0.679656 0.316827 Si\n0.754706 0.320344 0.316827 Si\n0.820344 0.254706 0.816827 Si\n0.179656 0.745294 0.816827 Si\n0.320344 0.754706 0.683173 Si\n0.679656 0.245294 0.683173 Si\n0.179656 0.254706 0.816827 Si\n0.820344 0.745294 0.816827 Si\n0.679656 0.754706 0.683173 Si\n0.320344 0.245294 0.683173 Si\n0.117322 0.319529 0.234897 Si\n0.882678 0.680471 0.234897 Si\n0.617322 0.819529 0.265103 Si\n0.382678 0.180471 0.265103 Si\n0.882678 0.319529 0.234897 Si\n0.117322 0.680471 0.234897 Si\n0.382678 0.819529 0.265103 Si\n0.617322 0.180471 0.265103 Si\n0.680471 0.117322 0.765103 Si\n0.319529 0.882678 0.765103 Si\n0.180471 0.617322 0.734897 Si\n0.819529 0.382678 0.734897 Si\n0.319529 0.117322 0.765103 Si\n0.680471 0.882678 0.765103 Si\n0.819529 0.617322 0.734897 Si\n0.180471 0.382678 0.734897 Si\n0.189884 0.000000 0.053878 Si\n0.810116 0.000000 0.053878 Si\n0.689884 0.500000 0.446122 Si\n0.310116 0.500000 0.446122 Si\n0.000000 0.189884 0.946122 Si\n0.000000 0.810116 0.946122 Si\n0.500000 0.689884 0.553878 Si\n0.500000 0.310116 0.553878 Si\n0.129999 0.000000 0.147806 Si\n0.870001 0.000000 0.147806 Si\n0.629999 0.500000 0.352194 Si\n0.370001 0.500000 0.352194 Si\n0.000000 0.129999 0.852194 Si\n0.000000 0.870001 0.852194 Si\n0.500000 0.629999 0.647806 Si\n0.500000 0.370001 0.647806 Si\n0.119550 0.500000 0.024432 Si\n0.880450 0.500000 0.024432 Si\n0.619550 0.000000 0.475568 Si\n0.380450 0.000000 0.475568 Si\n0.500000 0.119550 0.975568 Si\n0.500000 0.880450 0.975568 Si\n0.000000 0.619550 0.524432 Si\n0.000000 0.380450 0.524432 Si\n0.264359 0.500000 0.103211 Si\n0.735641 0.500000 0.103211 Si\n0.764359 0.000000 0.396789 Si\n0.235641 0.000000 0.396789 Si\n0.500000 0.264359 0.896789 Si\n0.500000 0.735641 0.896789 Si\n0.000000 0.764359 0.603211 Si\n0.000000 0.235641 0.603211 Si\n0.116182 0.500000 0.176836 Si\n0.883818 0.500000 0.176836 Si\n0.616182 0.000000 0.323164 Si\n0.383818 0.000000 0.323164 Si\n0.500000 0.116182 0.823164 Si\n0.500000 0.883818 0.823164 Si\n0.000000 0.616182 0.676836 Si\n0.000000 0.383818 0.676836 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
"nsites": 106,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 1.9699607295619062,
"density_atomic": 0.04224023360521914,
"volume": 2509.4558186085123,
"volume_molar": 14.256883179869329,
"formula_full": "Si106",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -556.12185185,
"energy_per_atom": -5.2464325646226415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -556.12185185,
"band_gap": 0.1508000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1306774,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.599000Z",
"spacegroup": 137
},
{
"id": "mp-673171",
"created_at": "2022-09-04T14:48:17.792638Z",
"structure_string": "Br1\n1.0\n-1.880400 1.880400 1.880400\n1.880400 -1.880400 1.880400\n1.880400 1.880400 -1.880400\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 4.988924128677636,
"density_atomic": 0.03760012434200997,
"volume": 26.595656729856003,
"volume_molar": 16.016278843183418,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.00736911,
"energy_per_atom": -1.00736911,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.00736911,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4090095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.788000Z",
"spacegroup": 229
},
{
"id": "mp-1056366",
"created_at": "2022-09-04T14:39:31.265276Z",
"structure_string": "Sc1\n1.0\n0.000000 0.000000 3.360069\n-1.914780 1.914780 1.680035\n-1.914780 -1.914780 1.680035\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.029841802192606,
"density_atomic": 0.040586728214169976,
"volume": 24.63859601402588,
"volume_molar": 14.837709332523877,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -6.22265527,
"energy_per_atom": -6.22265527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.22265527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0149012,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.897000Z",
"spacegroup": 139
},
{
"id": "mp-37",
"created_at": "2022-09-04T14:40:33.894069Z",
"structure_string": "Th1\n1.0\n0.000000 2.520609 2.520609\n2.520609 0.000000 2.520609\n2.520609 2.520609 0.000000\nTh\n1\ndirect\n0.000000 0.000000 0.000000 Th\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Th"
],
"chemical_system": "Th",
"density": 12.029896193298868,
"density_atomic": 0.03122148505692111,
"volume": 32.02922596977245,
"volume_molar": 19.288450722381718,
"formula_full": "Th1",
"formula_reduced": "Th",
"formula_anonymous": "A",
"energy": -7.41385825,
"energy_per_atom": -7.41385825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.41385825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007407,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.348000Z",
"spacegroup": 225
},
{
"id": "mp-1096826",
"created_at": "2022-09-04T14:45:18.336401Z",
"structure_string": "As1\n1.0\n0.000000 2.133318 2.133318\n2.133318 0.000000 2.133318\n2.133318 2.133318 0.000000\nAs\n1\ndirect\n0.500000 0.500000 0.500000 As\n",
"nsites": 1,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 6.407068275258615,
"density_atomic": 0.051499523536432355,
"volume": 19.417655374861265,
"volume_molar": 11.693585389658512,
"formula_full": "As1",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy": -4.10052398,
"energy_per_atom": -4.10052398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.10052398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.996000Z",
"spacegroup": 225
},
{
"id": "mp-644693",
"created_at": "2022-09-04T14:42:44.944253Z",
"structure_string": "Si8\n1.0\n4.251195 3.402014 0.334893\n-3.049673 1.285385 2.201116\n0.268226 -5.755341 7.101364\nSi\n8\ndirect\n0.827655 0.094740 0.082333 Si\n0.211002 0.000724 0.059711 Si\n0.003634 0.566595 0.240718 Si\n0.361705 0.125707 0.628459 Si\n0.069501 0.841008 0.801645 Si\n0.842253 0.286715 0.682330 Si\n0.132669 0.567874 0.511322 Si\n0.566418 0.509253 0.000092 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.142906980650944,
"density_atomic": 0.04594857658765638,
"volume": 174.10767849877462,
"volume_molar": 13.10626184145558,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -40.08159,
"energy_per_atom": -5.01019875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.08159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.529000Z",
"spacegroup": 1
},
{
"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-8635",
"created_at": "2022-09-04T14:44:40.433193Z",
"structure_string": "Zr1\n1.0\n0.000000 2.268399 2.268399\n2.268399 0.000000 2.268399\n2.268399 2.268399 0.000000\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.4888819257318415,
"density_atomic": 0.04283627153521132,
"volume": 23.344702145190254,
"volume_molar": 14.058508231860968,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -8.50843689,
"energy_per_atom": -8.50843689,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.50843689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.957000Z",
"spacegroup": 225
},
{
"id": "mp-1096950",
"created_at": "2022-09-04T14:45:54.814333Z",
"structure_string": "Fe1\n1.0\n1.244977 -2.156364 0.000000\n1.244977 2.156364 0.000000\n0.000000 0.000000 2.393789\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 7.214963345850613,
"density_atomic": 0.07780378702116247,
"volume": 12.852844807258572,
"volume_molar": 7.740164059574619,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -7.99332179,
"energy_per_atom": -7.99332179,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.99332179,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4667001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.394000Z",
"spacegroup": 191
}
]
}