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=10148",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=10146",
"results": [
{
"id": "mp-17578",
"created_at": "2022-09-04T14:41:32.078745Z",
"structure_string": "Yb4 Ge6 Ir7\n1.0\n-4.172947 4.172947 4.172947\n4.172947 -4.172947 4.172947\n4.172947 4.172947 -4.172947\nYb Ge Ir\n4 6 7\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.683340 0.000000 0.683340 Ge\n0.316660 0.000000 0.316660 Ge\n0.000000 0.316660 0.316660 Ge\n0.000000 0.683340 0.683340 Ge\n0.683340 0.683340 0.000000 Ge\n0.316660 0.316660 0.000000 Ge\n0.250000 0.500000 0.750000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.250000 0.750000 Ir\n0.500000 0.750000 0.250000 Ir\n0.750000 0.500000 0.250000 Ir\n0.000000 0.000000 0.000000 Ir\n0.750000 0.250000 0.500000 Ir\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Yb",
"density": 14.131092860860818,
"density_atomic": 0.05848713171851274,
"volume": 290.6622277498188,
"volume_molar": 10.296522641909332,
"formula_full": "Yb4 Ge6 Ir7",
"formula_reduced": "Yb4Ge6Ir7",
"formula_anonymous": "A4B6C7",
"energy": -108.34275842,
"energy_per_atom": -6.373103436470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.34275842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005089,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.014000Z",
"spacegroup": 229
},
{
"id": "mp-532156",
"created_at": "2022-09-04T14:41:18.639364Z",
"structure_string": "Hg56 Sb32 Br48\n1.0\n13.273047 0.000000 0.000000\n0.000000 13.308170 0.000000\n0.000000 0.266184 26.565195\nHg Sb Br\n56 32 48\ndirect\n0.997773 0.996654 0.749486 Hg\n0.000000 0.000000 0.000000 Hg\n0.002227 0.003346 0.250514 Hg\n0.000000 0.500000 0.500000 Hg\n0.043078 0.335496 0.868332 Hg\n0.040802 0.319414 0.361103 Hg\n0.041477 0.179410 0.111720 Hg\n0.041403 0.181579 0.611780 Hg\n0.177855 0.719155 0.772771 Hg\n0.179150 0.728106 0.270354 Hg\n0.168928 0.763699 0.020264 Hg\n0.180550 0.774506 0.521062 Hg\n0.221022 0.463124 0.157621 Hg\n0.226129 0.456076 0.660244 Hg\n0.233908 0.044869 0.918261 Hg\n0.223437 0.040181 0.408519 Hg\n0.278978 0.963124 0.157621 Hg\n0.266092 0.544869 0.918261 Hg\n0.273871 0.956076 0.660244 Hg\n0.276563 0.540181 0.408519 Hg\n0.331072 0.263699 0.020264 Hg\n0.319450 0.274506 0.521062 Hg\n0.322145 0.219155 0.772771 Hg\n0.320850 0.228106 0.270354 Hg\n0.458523 0.679410 0.111720 Hg\n0.458597 0.681579 0.611780 Hg\n0.459198 0.819414 0.361103 Hg\n0.456922 0.835496 0.868332 Hg\n0.500000 0.500000 0.000000 Hg\n0.502227 0.496654 0.749486 Hg\n0.500000 0.000000 0.500000 Hg\n0.497773 0.503346 0.250514 Hg\n0.540802 0.180586 0.638897 Hg\n0.543078 0.164504 0.131668 Hg\n0.541477 0.320590 0.888280 Hg\n0.541403 0.318421 0.388220 Hg\n0.677855 0.780845 0.227229 Hg\n0.679150 0.771894 0.729646 Hg\n0.668928 0.736301 0.979736 Hg\n0.680550 0.725494 0.478938 Hg\n0.733908 0.455131 0.081739 Hg\n0.721022 0.036876 0.842379 Hg\n0.723437 0.459819 0.591481 Hg\n0.726129 0.043924 0.339756 Hg\n0.766092 0.955131 0.081739 Hg\n0.776563 0.959819 0.591481 Hg\n0.778978 0.536876 0.842379 Hg\n0.773871 0.543924 0.339756 Hg\n0.831072 0.236301 0.979736 Hg\n0.819450 0.225494 0.478938 Hg\n0.822145 0.280845 0.227229 Hg\n0.820850 0.271894 0.729646 Hg\n0.958523 0.820590 0.888280 Hg\n0.956922 0.664504 0.131668 Hg\n0.959198 0.680586 0.638897 Hg\n0.958597 0.818421 0.388220 Hg\n0.150138 0.655917 0.174185 Sb\n0.150261 0.646360 0.676152 Sb\n0.152452 0.850657 0.924785 Sb\n0.150594 0.848610 0.424844 Sb\n0.223725 0.225513 0.864543 Sb\n0.226931 0.227406 0.363204 Sb\n0.226549 0.276714 0.111584 Sb\n0.228380 0.271071 0.614365 Sb\n0.273451 0.776714 0.111584 Sb\n0.271620 0.771071 0.614365 Sb\n0.276275 0.725513 0.864543 Sb\n0.273069 0.727406 0.363204 Sb\n0.347548 0.350657 0.924785 Sb\n0.349862 0.155917 0.174185 Sb\n0.349406 0.348610 0.424844 Sb\n0.349739 0.146360 0.676152 Sb\n0.652452 0.649343 0.075215 Sb\n0.650138 0.844083 0.825815 Sb\n0.650594 0.651390 0.575156 Sb\n0.650261 0.853640 0.323848 Sb\n0.723725 0.274487 0.135457 Sb\n0.726931 0.272594 0.636796 Sb\n0.726549 0.223286 0.888416 Sb\n0.728380 0.228929 0.385635 Sb\n0.773451 0.723286 0.888416 Sb\n0.771620 0.728929 0.385635 Sb\n0.776275 0.774487 0.135457 Sb\n0.773069 0.772594 0.636796 Sb\n0.847548 0.149343 0.075215 Sb\n0.849406 0.151390 0.575156 Sb\n0.849862 0.344083 0.825815 Sb\n0.849739 0.353640 0.323848 Sb\n0.046988 0.961823 0.147495 Br\n0.044980 0.959118 0.644513 Br\n0.057563 0.545160 0.877987 Br\n0.045569 0.541223 0.395834 Br\n0.040851 0.276983 0.972483 Br\n0.041117 0.290812 0.476771 Br\n0.042337 0.212130 0.227760 Br\n0.039016 0.206856 0.726157 Br\n0.210485 0.956175 0.271242 Br\n0.226122 0.553878 0.022696 Br\n0.205445 0.950367 0.768923 Br\n0.208336 0.545471 0.519943 Br\n0.273878 0.053878 0.022696 Br\n0.291664 0.045471 0.519943 Br\n0.294555 0.450367 0.768923 Br\n0.289515 0.456175 0.271242 Br\n0.459149 0.776983 0.972483 Br\n0.457663 0.712130 0.227760 Br\n0.458883 0.790812 0.476771 Br\n0.460984 0.706856 0.726157 Br\n0.442437 0.045160 0.877987 Br\n0.454431 0.041223 0.395834 Br\n0.453012 0.461823 0.147495 Br\n0.455020 0.459118 0.644513 Br\n0.546988 0.538177 0.852505 Br\n0.544980 0.540882 0.355487 Br\n0.557563 0.954840 0.122013 Br\n0.545569 0.958777 0.604166 Br\n0.540851 0.223017 0.027517 Br\n0.542337 0.287870 0.772240 Br\n0.541117 0.209188 0.523229 Br\n0.539016 0.293144 0.273843 Br\n0.705445 0.549633 0.231077 Br\n0.710485 0.543825 0.728758 Br\n0.726122 0.946122 0.977304 Br\n0.708336 0.954529 0.480057 Br\n0.794555 0.049633 0.231077 Br\n0.773878 0.446122 0.977304 Br\n0.789515 0.043825 0.728758 Br\n0.791664 0.454529 0.480057 Br\n0.959149 0.723017 0.027517 Br\n0.960984 0.793144 0.273843 Br\n0.957663 0.787870 0.772240 Br\n0.958883 0.709188 0.523229 Br\n0.942437 0.454840 0.122013 Br\n0.953012 0.038177 0.852505 Br\n0.954431 0.458777 0.604166 Br\n0.955020 0.040882 0.355487 Br\n",
"nsites": 136,
"nelements": 3,
"elements": [
"Hg",
"Sb",
"Br"
],
"chemical_system": "Br-Hg-Sb",
"density": 6.711108882433841,
"density_atomic": 0.02898257230526956,
"volume": 4692.475138767193,
"volume_molar": 20.77848955768865,
"formula_full": "Hg56 Sb32 Br48",
"formula_reduced": "Hg7(Sb2Br3)2",
"formula_anonymous": "A4B6C7",
"energy": -295.75744262,
"energy_per_atom": -2.1746870780882355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.98144262,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0257597,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.724000Z",
"spacegroup": 14
},
{
"id": "mp-1189529",
"created_at": "2022-09-04T14:41:53.740906Z",
"structure_string": "Ho4 Ge6 Ir7\n1.0\n-4.197161 4.197161 4.197161\n4.197161 -4.197161 4.197161\n4.197161 4.197161 -4.197161\nHo Ge Ir\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Ho\n0.000000 0.500000 0.000000 Ho\n0.500000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.682505 0.682505 0.000000 Ge\n0.317495 0.000000 0.317495 Ge\n0.000000 0.317495 0.317495 Ge\n0.317495 0.317495 0.000000 Ge\n0.682505 0.000000 0.682505 Ge\n0.000000 0.682505 0.682505 Ge\n0.750000 0.250000 0.500000 Ir\n0.750000 0.500000 0.250000 Ir\n0.500000 0.250000 0.750000 Ir\n0.250000 0.500000 0.750000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.750000 0.250000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ho",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ho-Ir",
"density": 13.70579659416788,
"density_atomic": 0.05748069940129243,
"volume": 295.75144660848997,
"volume_molar": 10.476804949705597,
"formula_full": "Ho4 Ge6 Ir7",
"formula_reduced": "Ho4Ge6Ir7",
"formula_anonymous": "A4B6C7",
"energy": -122.95220564,
"energy_per_atom": -7.232482684705882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.95220564,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014522,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.776000Z",
"spacegroup": 229
},
{
"id": "mp-22326",
"created_at": "2022-09-04T14:42:18.469009Z",
"structure_string": "Mg4 As6 Rh7\n1.0\n-4.083880 4.083880 4.083880\n4.083880 -4.083880 4.083880\n4.083880 4.083880 -4.083880\nMg As Rh\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.686004 0.686004 0.000000 As\n0.313996 0.313996 0.000000 As\n0.000000 0.686004 0.686004 As\n0.000000 0.313996 0.313996 As\n0.686004 0.000000 0.686004 As\n0.313996 0.000000 0.313996 As\n0.000000 0.000000 0.000000 Rh\n0.250000 0.500000 0.750000 Rh\n0.750000 0.250000 0.500000 Rh\n0.500000 0.250000 0.750000 Rh\n0.500000 0.750000 0.250000 Rh\n0.750000 0.500000 0.250000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Mg",
"As",
"Rh"
],
"chemical_system": "As-Mg-Rh",
"density": 7.722839358321028,
"density_atomic": 0.06239790562935139,
"volume": 272.44504168106823,
"volume_molar": 9.651190531573294,
"formula_full": "Mg4 As6 Rh7",
"formula_reduced": "Mg4As6Rh7",
"formula_anonymous": "A4B6C7",
"energy": -96.79469718,
"energy_per_atom": -5.693805716470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.79469718,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033917,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.661000Z",
"spacegroup": 229
},
{
"id": "mp-1188834",
"created_at": "2022-09-04T14:41:27.841353Z",
"structure_string": "Tb4 Ge6 Ir7\n1.0\n-4.213084 4.213084 4.213084\n4.213084 -4.213084 4.213084\n4.213084 4.213084 -4.213084\nTb Ge Ir\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n0.681571 0.681571 0.000000 Ge\n0.318429 0.000000 0.318429 Ge\n0.000000 0.318429 0.318429 Ge\n0.318429 0.318429 0.000000 Ge\n0.681571 0.000000 0.681571 Ge\n0.000000 0.681571 0.681571 Ge\n0.750000 0.250000 0.500000 Ir\n0.750000 0.500000 0.250000 Ir\n0.500000 0.250000 0.750000 Ir\n0.250000 0.500000 0.750000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.750000 0.250000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Tb",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Tb",
"density": 13.417643691109395,
"density_atomic": 0.056831428914903344,
"volume": 299.1302581086776,
"volume_molar": 10.596497175915223,
"formula_full": "Tb4 Ge6 Ir7",
"formula_reduced": "Tb4Ge6Ir7",
"formula_anonymous": "A4B6C7",
"energy": -122.87429678,
"energy_per_atom": -7.227899810588235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.87429678,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0204094,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.088000Z",
"spacegroup": 229
},
{
"id": "mp-1188412",
"created_at": "2022-09-04T14:42:47.510879Z",
"structure_string": "Nd4 Mg7 Ge6\n1.0\n2.219380 8.340689 0.000000\n-2.219380 8.340689 0.000000\n0.000000 6.721844 10.609355\nNd Mg Ge\n4 7 6\ndirect\n0.266485 0.266485 0.613354 Nd\n0.733515 0.733515 0.386646 Nd\n0.370088 0.370088 0.839382 Nd\n0.629912 0.629912 0.160618 Nd\n0.039838 0.039838 0.861171 Mg\n0.960162 0.960162 0.138829 Mg\n0.062348 0.062348 0.603233 Mg\n0.937652 0.937652 0.396767 Mg\n0.689751 0.689751 0.846568 Mg\n0.310249 0.310249 0.153432 Mg\n0.500000 0.500000 0.500000 Mg\n0.120556 0.120556 0.347839 Ge\n0.879444 0.879444 0.652161 Ge\n0.149519 0.149519 0.976614 Ge\n0.850481 0.850481 0.023386 Ge\n0.609306 0.609306 0.687772 Ge\n0.390694 0.390694 0.312228 Ge\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg-Nd",
"density": 5.001040169511683,
"density_atomic": 0.04328090648320026,
"volume": 392.7829008525653,
"volume_molar": 13.914081865031013,
"formula_full": "Nd4 Mg7 Ge6",
"formula_reduced": "Nd4Mg7Ge6",
"formula_anonymous": "A4B6C7",
"energy": -67.43384988,
"energy_per_atom": -3.9666970517647058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.43384988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.175000Z",
"spacegroup": 12
},
{
"id": "mp-1189287",
"created_at": "2022-09-04T14:42:01.969621Z",
"structure_string": "Er4 Ge6 Os7\n1.0\n-4.170829 4.170829 4.170829\n4.170829 -4.170829 4.170829\n4.170829 4.170829 -4.170829\nEr Ge Os\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Er\n0.000000 0.500000 0.000000 Er\n0.500000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.690166 0.690166 0.000000 Ge\n0.309834 0.000000 0.309834 Ge\n0.000000 0.309834 0.309834 Ge\n0.309834 0.309834 0.000000 Ge\n0.690166 0.000000 0.690166 Ge\n0.000000 0.690166 0.690166 Ge\n0.750000 0.250000 0.500000 Os\n0.750000 0.500000 0.250000 Os\n0.500000 0.250000 0.750000 Os\n0.250000 0.500000 0.750000 Os\n0.250000 0.750000 0.500000 Os\n0.500000 0.750000 0.250000 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Er",
"Ge",
"Os"
],
"chemical_system": "Er-Ge-Os",
"density": 13.940741452082454,
"density_atomic": 0.05857627850058386,
"volume": 290.2198711690186,
"volume_molar": 10.280852444287623,
"formula_full": "Er4 Ge6 Os7",
"formula_reduced": "Er4Ge6Os7",
"formula_anonymous": "A4B6C7",
"energy": -131.8977603,
"energy_per_atom": -7.75869178235294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.8977603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001177,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.718000Z",
"spacegroup": 229
},
{
"id": "mp-1188811",
"created_at": "2022-09-04T14:44:31.019846Z",
"structure_string": "Lu4 Ge6 Os7\n1.0\n-4.156997 4.156997 4.156997\n4.156997 -4.156997 4.156997\n4.156997 4.156997 -4.156997\nLu Ge Os\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.500000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.690175 0.690175 0.000000 Ge\n0.309825 0.000000 0.309825 Ge\n0.000000 0.309825 0.309825 Ge\n0.309825 0.309825 0.000000 Ge\n0.690175 0.000000 0.690175 Ge\n0.000000 0.690175 0.690175 Ge\n0.750000 0.250000 0.500000 Os\n0.750000 0.500000 0.250000 Os\n0.500000 0.250000 0.750000 Os\n0.250000 0.500000 0.750000 Os\n0.250000 0.750000 0.500000 Os\n0.500000 0.750000 0.250000 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Lu",
"Ge",
"Os"
],
"chemical_system": "Ge-Lu-Os",
"density": 14.258541367812711,
"density_atomic": 0.059162946731703116,
"volume": 287.34200946908487,
"volume_molar": 10.178906042847542,
"formula_full": "Lu4 Ge6 Os7",
"formula_reduced": "Lu4Ge6Os7",
"formula_anonymous": "A4B6C7",
"energy": -131.90624076,
"energy_per_atom": -7.759190632941177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.90624076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008299,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.752000Z",
"spacegroup": 229
},
{
"id": "mp-1189923",
"created_at": "2022-09-04T14:44:50.843464Z",
"structure_string": "Tm4 Ge6 Ir7\n1.0\n-4.179284 4.179284 4.179284\n4.179284 -4.179284 4.179284\n4.179284 4.179284 -4.179284\nTm Ge Ir\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.683508 0.683508 0.000000 Ge\n0.316492 0.000000 0.316492 Ge\n0.000000 0.316492 0.316492 Ge\n0.316492 0.316492 0.000000 Ge\n0.683508 0.000000 0.683508 Ge\n0.000000 0.683508 0.683508 Ge\n0.750000 0.250000 0.500000 Ir\n0.750000 0.500000 0.250000 Ir\n0.500000 0.250000 0.750000 Ir\n0.250000 0.500000 0.750000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.750000 0.250000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Tm",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Tm",
"density": 13.973511281892684,
"density_atomic": 0.058221484838844074,
"volume": 291.9884308525567,
"volume_molar": 10.343502534621312,
"formula_full": "Tm4 Ge6 Ir7",
"formula_reduced": "Tm4Ge6Ir7",
"formula_anonymous": "A4B6C7",
"energy": -122.73815586,
"energy_per_atom": -7.219891521176471,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.73815586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001656,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.744000Z",
"spacegroup": 229
},
{
"id": "mp-1106353",
"created_at": "2022-09-04T14:45:07.335735Z",
"structure_string": "Er4 Ge6 Rh7\n1.0\n-4.188529 4.188529 4.188529\n4.188529 -4.188529 4.188529\n4.188529 4.188529 -4.188529\nEr Ge Rh\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Er\n0.000000 0.500000 0.000000 Er\n0.500000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.681431 0.681431 0.000000 Ge\n0.318569 0.000000 0.318569 Ge\n0.000000 0.318569 0.318569 Ge\n0.318569 0.318569 0.000000 Ge\n0.681431 0.000000 0.681431 Ge\n0.000000 0.681431 0.681431 Ge\n0.750000 0.250000 0.500000 Rh\n0.750000 0.500000 0.250000 Rh\n0.500000 0.250000 0.750000 Rh\n0.250000 0.500000 0.750000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.750000 0.250000 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Er",
"Ge",
"Rh"
],
"chemical_system": "Er-Ge-Rh",
"density": 10.311419040814474,
"density_atomic": 0.05783681247601314,
"volume": 293.9304445079934,
"volume_molar": 10.412297120450031,
"formula_full": "Er4 Ge6 Rh7",
"formula_reduced": "Er4Ge6Rh7",
"formula_anonymous": "A4B6C7",
"energy": -113.78145368,
"energy_per_atom": -6.693026687058824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.78145368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0077838,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.688000Z",
"spacegroup": 229
},
{
"id": "mp-1190044",
"created_at": "2022-09-04T14:45:09.973524Z",
"structure_string": "Tm4 Ge6 Os7\n1.0\n-4.164740 4.164740 4.164740\n4.164740 -4.164740 4.164740\n4.164740 4.164740 -4.164740\nTm Ge Os\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.690534 0.690534 0.000000 Ge\n0.309466 0.000000 0.309466 Ge\n0.000000 0.309466 0.309466 Ge\n0.309466 0.309466 0.000000 Ge\n0.690534 0.000000 0.690534 Ge\n0.000000 0.690534 0.690534 Ge\n0.750000 0.250000 0.500000 Os\n0.750000 0.500000 0.250000 Os\n0.500000 0.250000 0.750000 Os\n0.250000 0.500000 0.750000 Os\n0.250000 0.750000 0.500000 Os\n0.500000 0.750000 0.250000 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Tm",
"Ge",
"Os"
],
"chemical_system": "Ge-Os-Tm",
"density": 14.040484821093711,
"density_atomic": 0.0588335762044431,
"volume": 288.9506485365777,
"volume_molar": 10.235891048120935,
"formula_full": "Tm4 Ge6 Os7",
"formula_reduced": "Tm4Ge6Os7",
"formula_anonymous": "A4B6C7",
"energy": -131.6556169,
"energy_per_atom": -7.744448052941177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.6556169,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007242,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.099000Z",
"spacegroup": 229
},
{
"id": "mp-1188792",
"created_at": "2022-09-04T14:45:25.398376Z",
"structure_string": "Ti4 Co7 Ge6\n1.0\n-3.829935 -3.829935 3.829935\n-3.829935 3.829935 -3.829935\n3.829935 -3.829935 -3.829935\nTi Co Ge\n4 7 6\ndirect\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Co\n0.250000 0.500000 0.750000 Co\n0.750000 0.500000 0.250000 Co\n0.500000 0.750000 0.250000 Co\n0.500000 0.250000 0.750000 Co\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.687350 0.000000 0.687350 Ge\n0.312650 0.000000 0.312650 Ge\n0.000000 0.687350 0.687350 Ge\n0.000000 0.312650 0.312650 Ge\n0.687350 0.687350 0.000000 Ge\n0.312650 0.312650 0.000000 Ge\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Ti",
"density": 7.683897591370685,
"density_atomic": 0.0756510081471069,
"volume": 224.71610645217987,
"volume_molar": 7.960423671142185,
"formula_full": "Ti4 Co7 Ge6",
"formula_reduced": "Ti4Co7Ge6",
"formula_anonymous": "A4B6C7",
"energy": -117.76487519,
"energy_per_atom": -6.9273455994117645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.76487519,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4877355,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.677000Z",
"spacegroup": 229
}
]
}