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{
"count": 146323,
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"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12193",
"results": [
{
"id": "mp-774610",
"created_at": "2022-09-04T14:48:05.554382Z",
"structure_string": "Li4 V2 Ni3 Sb3 O16\n1.0\n3.051366 5.267180 0.000000\n-3.051366 5.267180 0.000000\n0.000000 0.255633 9.731679\nLi V Ni Sb O\n4 2 3 3 16\ndirect\n0.679605 0.679605 0.112712 Li\n0.978916 0.978916 0.014870 Li\n0.992791 0.992791 0.495627 Li\n0.328491 0.328491 0.595516 Li\n0.678050 0.678050 0.501719 V\n0.362134 0.362134 0.035128 V\n0.831100 0.831100 0.784276 Ni\n0.164742 0.677146 0.293362 Ni\n0.677146 0.164742 0.293362 Ni\n0.334957 0.836016 0.786222 Sb\n0.836016 0.334957 0.786222 Sb\n0.174967 0.174967 0.286780 Sb\n0.327473 0.856254 0.400459 O\n0.516001 0.516001 0.665028 O\n0.663182 0.663182 0.898524 O\n0.003433 0.003433 0.684620 O\n0.010556 0.010556 0.193066 O\n0.856254 0.327473 0.400459 O\n0.507123 0.964148 0.662301 O\n0.964148 0.507123 0.662301 O\n0.156827 0.156827 0.898673 O\n0.836267 0.836267 0.405777 O\n0.048853 0.478876 0.148165 O\n0.478876 0.048853 0.148165 O\n0.334150 0.334150 0.391717 O\n0.172971 0.678603 0.901877 O\n0.490613 0.490613 0.141009 O\n0.678603 0.172971 0.901877 O\n",
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"formula_full": "Li4 V2 Ni3 Sb3 O16",
"formula_reduced": "Li4V2Ni3Sb3O16",
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"spacegroup": 8
},
{
"id": "mp-972461",
"created_at": "2022-09-04T14:48:05.911414Z",
"structure_string": "Sm3 Zr1\n1.0\n-2.484476 2.484476 4.933787\n2.484476 -2.484476 4.933787\n2.484476 2.484476 -4.933787\nSm Zr\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Zr\n",
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"formula_full": "Sm3 Zr1",
"formula_reduced": "Sm3Zr",
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"energy": -22.18270498,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.741000Z",
"spacegroup": 139
},
{
"id": "mp-1520703",
"created_at": "2022-09-04T14:48:05.334930Z",
"structure_string": "Sr4 Ca4 Gd4 Bi4 O24\n1.0\n8.539442 0.000000 0.000000\n0.000000 8.540374 0.000000\n0.000000 0.000000 8.526317\nSr Ca Gd Bi O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n-0.000000 -0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.249726 0.252107 0.250273 Gd\n0.750274 0.747893 0.250273 Gd\n0.750274 0.252107 0.749727 Gd\n0.249726 0.747893 0.749727 Gd\n0.750515 0.747625 0.749770 Bi\n0.249485 0.252375 0.749770 Bi\n0.249485 0.747625 0.250230 Bi\n0.750515 0.252375 0.250230 Bi\n0.992605 0.201252 0.284670 O\n0.007395 0.798748 0.284670 O\n0.007395 0.201252 0.715330 O\n0.992605 0.798748 0.715330 O\n0.287225 0.991556 0.204207 O\n0.287225 0.008444 0.795793 O\n0.712775 0.008444 0.204207 O\n0.712775 0.991556 0.795793 O\n0.201709 0.287288 0.992613 O\n0.798291 0.287288 0.007387 O\n0.201709 0.712712 0.007387 O\n0.798291 0.712712 0.992613 O\n0.508878 0.309236 0.205586 O\n0.491122 0.690764 0.205586 O\n0.491122 0.309236 0.794414 O\n0.508878 0.690764 0.794414 O\n0.203220 0.507721 0.307371 O\n0.203220 0.492279 0.692629 O\n0.796780 0.492279 0.307371 O\n0.796780 0.507721 0.692629 O\n0.301416 0.214458 0.507913 O\n0.698584 0.214458 0.492087 O\n0.301416 0.785542 0.492087 O\n0.698584 0.785542 0.507913 O\n",
"nsites": 40,
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"elements": [
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"Gd",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Gd-O-Sr",
"density": 6.301412130357008,
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"volume": 621.8245412243447,
"volume_molar": 9.361787288188564,
"formula_full": "Sr4 Ca4 Gd4 Bi4 O24",
"formula_reduced": "SrCaGdBiO6",
"formula_anonymous": "ABCDE6",
"energy": -315.46567581,
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"band_gap": 1.6724,
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"updated_at": "2021-11-28T01:38:30.451000Z",
"spacegroup": 16
},
{
"id": "mp-773982",
"created_at": "2022-09-04T14:48:05.377315Z",
"structure_string": "Mg3 Fe4 O7\n1.0\n-1.529085 2.172741 10.721524\n1.529085 -2.172741 10.721524\n1.529085 2.172741 -10.721524\nMg Fe O\n3 4 7\ndirect\n0.641551 0.637736 0.996185 Mg\n0.500000 0.501538 0.001538 Mg\n0.358449 0.354634 0.996185 Mg\n0.927475 0.927950 0.000475 Fe\n0.072525 0.073000 0.000475 Fe\n0.783401 0.794898 0.011497 Fe\n0.216599 0.228096 0.011497 Fe\n0.000000 0.485830 0.485830 O\n0.855001 0.375151 0.520149 O\n0.710301 0.197458 0.487158 O\n0.428519 0.928672 0.500153 O\n0.571481 0.071634 0.500153 O\n0.144999 0.665148 0.520149 O\n0.289699 0.776857 0.487158 O\n",
"nsites": 14,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.758418008980498,
"density_atomic": 0.09825890829982771,
"volume": 142.48071999009323,
"volume_molar": 6.128849652617767,
"formula_full": "Mg3 Fe4 O7",
"formula_reduced": "Mg3Fe4O7",
"formula_anonymous": "A3B4C7",
"energy": -103.2036538,
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"updated_at": "2021-11-28T01:38:26.108000Z",
"spacegroup": 44
},
{
"id": "mp-1246952",
"created_at": "2022-09-04T14:48:05.415630Z",
"structure_string": "Ge2 Pb2 N4\n1.0\n3.831638 0.000000 0.000000\n0.000000 3.831638 0.000000\n0.000000 0.000000 7.718205\nGe Pb N\n2 2 4\ndirect\n0.750000 0.750000 0.595604 Ge\n0.250000 0.250000 0.404396 Ge\n0.750000 0.750000 0.148884 Pb\n0.250000 0.250000 0.851116 Pb\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.838198 N\n0.250000 0.250000 0.161802 N\n",
"nsites": 8,
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"elements": [
"Ge",
"Pb",
"N"
],
"chemical_system": "Ge-N-Pb",
"density": 9.022726532287878,
"density_atomic": 0.0706000053729492,
"volume": 113.314438968375,
"volume_molar": 8.529943770099793,
"formula_full": "Ge2 Pb2 N4",
"formula_reduced": "GePbN2",
"formula_anonymous": "ABC2",
"energy": -48.05267044,
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"updated_at": "2021-11-28T01:38:25.918000Z",
"spacegroup": 129
},
{
"id": "mp-1038902",
"created_at": "2022-09-04T14:48:05.435926Z",
"structure_string": "Ce3 Mg1\n1.0\n-1.628095 3.017253 5.512474\n1.628095 -3.017253 5.512474\n1.628095 3.017253 -5.512474\nCe Mg\n3 1\ndirect\n0.152745 0.500000 0.652745 Ce\n0.255445 0.249943 0.005502 Ce\n0.755560 0.750057 0.005502 Ce\n0.669585 0.000000 0.669585 Mg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ce-Mg",
"density": 6.816670604224797,
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"volume": 108.31734734597137,
"volume_molar": 16.307557811681303,
"formula_full": "Ce3 Mg1",
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{
"id": "mp-23145",
"created_at": "2022-09-04T14:48:05.460302Z",
"structure_string": "Na8 Al6 Si6 Cl2 O24\n1.0\n8.970662 0.000000 0.000000\n0.000000 8.970662 0.000000\n0.000000 0.000000 8.970662\nNa Al Si Cl O\n8 6 6 2 24\ndirect\n0.322423 0.322423 0.677577 Na\n0.677577 0.322423 0.322423 Na\n0.677577 0.677577 0.677577 Na\n0.177577 0.177577 0.177577 Na\n0.177577 0.822423 0.822423 Na\n0.822423 0.822423 0.177577 Na\n0.322423 0.677577 0.322423 Na\n0.822423 0.177577 0.822423 Na\n0.500000 0.750000 0.000000 Al\n0.250000 0.000000 0.500000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.250000 0.000000 Al\n0.000000 0.500000 0.750000 Al\n0.750000 0.000000 0.500000 Al\n0.500000 0.000000 0.250000 Si\n0.000000 0.250000 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.000000 0.750000 0.500000 Si\n0.500000 0.000000 0.750000 Si\n0.750000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.360803 0.062457 0.649319 O\n0.860803 0.850681 0.437543 O\n0.649319 0.360803 0.062457 O\n0.437543 0.139197 0.149319 O\n0.139197 0.850681 0.562457 O\n0.062457 0.350681 0.639197 O\n0.639197 0.937543 0.649319 O\n0.139197 0.149319 0.437543 O\n0.562457 0.860803 0.149319 O\n0.649319 0.639197 0.937543 O\n0.360803 0.937543 0.350681 O\n0.149319 0.562457 0.860803 O\n0.350681 0.639197 0.062457 O\n0.149319 0.437543 0.139197 O\n0.062457 0.649319 0.360803 O\n0.562457 0.139197 0.850681 O\n0.937543 0.649319 0.639197 O\n0.860803 0.149319 0.562457 O\n0.850681 0.437543 0.860803 O\n0.937543 0.350681 0.360803 O\n0.850681 0.562457 0.139197 O\n0.350681 0.360803 0.937543 O\n0.639197 0.062457 0.350681 O\n0.437543 0.860803 0.850681 O\n",
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"formula_full": "Na8 Al6 Si6 Cl2 O24",
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"updated_at": "2021-11-28T01:38:23.601000Z",
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]
}