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=41",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=39",
"results": [
{
"id": "mp-937760",
"created_at": "2022-09-04T14:39:20.837641Z",
"structure_string": "C2\n1.0\n0.000000 2.137467 3.990014\n1.234035 0.000000 3.990014\n1.234035 2.137467 0.000000\nC\n2\ndirect\n0.666666 0.333334 0.666666 C\n0.333334 0.666666 0.333334 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.895030051680634,
"density_atomic": 0.09501642468461158,
"volume": 21.0489923888276,
"volume_molar": 6.337999751084422,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.44521853,
"energy_per_atom": -9.222609265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.44521853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.34e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.049000Z",
"spacegroup": 69
},
{
"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-7163",
"created_at": "2022-09-04T14:40:14.908624Z",
"structure_string": "Tb1\n1.0\n0.000000 2.517929 2.517929\n2.517929 0.000000 2.517929\n2.517929 2.517929 0.000000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.265741875915388,
"density_atomic": 0.03132128454006295,
"volume": 31.927170762134715,
"volume_molar": 19.226991639813175,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.61548096,
"energy_per_atom": -4.61548096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61548096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023243,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.487000Z",
"spacegroup": 225
},
{
"id": "mp-150",
"created_at": "2022-09-04T14:42:22.008490Z",
"structure_string": "Fe1\n1.0\n0.000000 1.822850 1.822850\n1.822850 0.000000 1.822850\n1.822850 1.822850 0.000000\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 7.655095258003984,
"density_atomic": 0.08255002451578422,
"volume": 12.113866783998253,
"volume_molar": 7.2951410921126,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -8.32165671,
"energy_per_atom": -8.32165671,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.32165671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5341127,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.725000Z",
"spacegroup": 225
},
{
"id": "mp-114",
"created_at": "2022-09-04T14:44:17.216199Z",
"structure_string": "Pu1\n1.0\n0.000000 2.394238 2.394238\n2.394238 0.000000 2.394238\n2.394238 2.394238 0.000000\nPu\n1\ndirect\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 14.76070055473347,
"density_atomic": 0.036430744462104044,
"volume": 27.449342986669382,
"volume_molar": 16.530380723524182,
"formula_full": "Pu1",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -13.99062127,
"energy_per_atom": -13.99062127,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.99062127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7357689,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.375000Z",
"spacegroup": 225
},
{
"id": "mp-1180961",
"created_at": "2022-09-04T14:46:53.432617Z",
"structure_string": "K2\n1.0\n-2.213986 2.213986 7.907082\n2.213986 -2.213986 7.907082\n2.213986 2.213986 -7.907082\nK\n2\ndirect\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8375504824566326,
"density_atomic": 0.012900425084217978,
"volume": 155.03365097997775,
"volume_molar": 46.6817234369069,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -2.07759152,
"energy_per_atom": -1.03879576,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.07759152,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.111000Z",
"spacegroup": 141
},
{
"id": "mp-49",
"created_at": "2022-09-04T14:45:25.905612Z",
"structure_string": "Os2\n1.0\n1.379258 -2.388944 0.000000\n1.379258 2.388944 0.000000\n0.000000 0.000000 4.356799\nOs\n2\ndirect\n0.333333 0.666667 0.750000 Os\n0.666667 0.333333 0.250000 Os\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Os"
],
"chemical_system": "Os",
"density": 22.004378159978412,
"density_atomic": 0.06965960293405543,
"volume": 28.71104507864246,
"volume_molar": 8.645097741514508,
"formula_full": "Os2",
"formula_reduced": "Os",
"formula_anonymous": "A",
"energy": -22.45473251,
"energy_per_atom": -11.227366255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.45473251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.22e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.479000Z",
"spacegroup": 194
},
{
"id": "mp-1184905",
"created_at": "2022-09-04T14:39:44.026482Z",
"structure_string": "K20\n1.0\n11.435131 0.000000 0.000000\n0.000000 11.435131 0.000000\n0.000000 0.000000 11.435131\nK\n20\ndirect\n0.875000 0.702742 0.047258 K\n0.062133 0.062133 0.062133 K\n0.202742 0.452742 0.125000 K\n0.812133 0.312133 0.187867 K\n0.452742 0.125000 0.202742 K\n0.547258 0.625000 0.297258 K\n0.187867 0.812133 0.312133 K\n0.797258 0.952742 0.375000 K\n0.937867 0.562133 0.437867 K\n0.125000 0.202742 0.452742 K\n0.625000 0.297258 0.547258 K\n0.437867 0.937867 0.562133 K\n0.297258 0.547258 0.625000 K\n0.687867 0.687867 0.687867 K\n0.047258 0.875000 0.702742 K\n0.952742 0.375000 0.797258 K\n0.312133 0.187867 0.812133 K\n0.702742 0.047258 0.875000 K\n0.562133 0.437867 0.937867 K\n0.375000 0.797258 0.952742 K\n",
"nsites": 20,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8683874434521244,
"density_atomic": 0.013375393355957815,
"volume": 1495.2831268391355,
"volume_molar": 45.02402732939104,
"formula_full": "K20",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -22.20797894,
"energy_per_atom": -1.110398947,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.20797894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0563845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.190000Z",
"spacegroup": 213
},
{
"id": "mp-639727",
"created_at": "2022-09-04T14:42:26.535587Z",
"structure_string": "Cs4\n1.0\n2.737034 -4.740682 0.000000\n2.737034 4.740682 0.000000\n0.000000 0.000000 17.755878\nCs\n4\ndirect\n0.000000 0.000000 0.000000 Cs\n0.333333 0.666667 0.250000 Cs\n0.000000 0.000000 0.500000 Cs\n0.666667 0.333333 0.750000 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9158377244386975,
"density_atomic": 0.008680941442910832,
"volume": 460.7795164044728,
"volume_molar": 69.37197767781161,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.47676184,
"energy_per_atom": -0.86919046,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.47676184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0110273,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.431000Z",
"spacegroup": 194
},
{
"id": "mp-1120813",
"created_at": "2022-09-04T14:44:09.477625Z",
"structure_string": "Br32\n1.0\n0.000000 11.553357 16.012611\n7.047216 0.000000 16.012611\n7.047216 11.553357 0.000000\nBr\n32\ndirect\n0.327723 0.306405 0.263067 Br\n0.102804 0.263067 0.306405 Br\n0.263067 0.102804 0.327723 Br\n0.306405 0.327723 0.102804 Br\n0.922277 0.943595 0.986933 Br\n0.147196 0.986933 0.943595 Br\n0.986933 0.147196 0.922277 Br\n0.943595 0.922277 0.147196 Br\n0.337623 0.438763 0.412924 Br\n0.810690 0.412924 0.438763 Br\n0.412924 0.810690 0.337623 Br\n0.438763 0.337623 0.810690 Br\n0.912377 0.811237 0.837076 Br\n0.439310 0.837076 0.811237 Br\n0.837076 0.439310 0.912377 Br\n0.811237 0.912377 0.439310 Br\n0.498359 0.396418 0.342057 Br\n0.763166 0.342057 0.396418 Br\n0.342057 0.763166 0.498359 Br\n0.396418 0.498359 0.763166 Br\n0.751641 0.853582 0.907943 Br\n0.486834 0.907943 0.853582 Br\n0.907943 0.486834 0.751641 Br\n0.853582 0.751641 0.486834 Br\n0.505913 0.521978 0.074732 Br\n0.897378 0.074732 0.521978 Br\n0.074732 0.897378 0.505913 Br\n0.521978 0.505913 0.897378 Br\n0.744087 0.728022 0.175268 Br\n0.352622 0.175268 0.728022 Br\n0.175268 0.352622 0.744087 Br\n0.728022 0.744087 0.352622 Br\n",
"nsites": 32,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 1.6283571714789462,
"density_atomic": 0.0122724720884943,
"volume": 2607.4616238076983,
"volume_molar": 49.07031539021289,
"formula_full": "Br32",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -48.74755425,
"energy_per_atom": -1.5233610703125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.74755425,
"band_gap": 1.4606,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0118096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.821000Z",
"spacegroup": 70
},
{
"id": "mp-1057818",
"created_at": "2022-09-04T14:42:24.625342Z",
"structure_string": "O2\n1.0\n0.000000 2.142855 2.142855\n2.142855 0.000000 2.142855\n2.142855 2.142855 0.000000\nO\n2\ndirect\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.7000663693942357,
"density_atomic": 0.1016299345191283,
"volume": 19.679241253703353,
"volume_molar": 5.925558043990024,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -6.13423966,
"energy_per_atom": -3.06711983,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.13423966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008017,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.200000Z",
"spacegroup": 227
},
{
"id": "mp-1104795",
"created_at": "2022-09-04T14:43:53.494313Z",
"structure_string": "Sb14\n1.0\n8.392959 2.843163 -1.927046\n2.694852 10.404804 0.693580\n-1.110394 0.759876 6.399878\nSb\n14\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.284067 0.542156 0.363733 Sb\n0.715933 0.457844 0.636267 Sb\n0.914738 0.775226 0.917330 Sb\n0.085262 0.224774 0.082670 Sb\n0.847196 0.169966 0.320305 Sb\n0.152804 0.830034 0.679695 Sb\n0.652991 0.677199 0.880534 Sb\n0.347009 0.322801 0.119466 Sb\n0.831888 0.835804 0.363046 Sb\n0.168112 0.164196 0.636953 Sb\n",
"nsites": 14,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 5.933913660752748,
"density_atomic": 0.02934860654984325,
"volume": 477.0243512659981,
"volume_molar": 20.51934135193946,
"formula_full": "Sb14",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -53.1338461,
"energy_per_atom": -3.7952747214285716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.1338461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.690000Z",
"spacegroup": 2
}
]
}