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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=10121",
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"results": [
{
"id": "mp-625560",
"created_at": "2022-09-04T14:41:08.692920Z",
"structure_string": "H14 Br2 O6\n1.0\n2.994071 5.957525 0.000000\n-2.994071 5.957525 0.000000\n0.000000 0.361947 6.295426\nH Br O\n14 2 6\ndirect\n0.238006 0.460941 0.525300 H\n0.972461 0.716920 0.485980 H\n0.460941 0.238006 0.025300 H\n0.716920 0.972461 0.985980 H\n0.294207 0.686355 0.275864 H\n0.510976 0.701805 0.171939 H\n0.264915 0.937840 0.734762 H\n0.261054 0.786665 0.959944 H\n0.169293 0.765657 0.710210 H\n0.937840 0.264915 0.234762 H\n0.786665 0.261054 0.459944 H\n0.765657 0.169293 0.210210 H\n0.701805 0.510976 0.671939 H\n0.686355 0.294207 0.775864 H\n0.501344 0.986369 0.530165 Br\n0.986369 0.501344 0.030165 Br\n0.149854 0.643480 0.510602 O\n0.643480 0.149854 0.010602 O\n0.392351 0.665069 0.143659 O\n0.168176 0.882007 0.812671 O\n0.882007 0.168176 0.312671 O\n0.665069 0.392351 0.643659 O\n",
"nsites": 22,
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"elements": [
"H",
"Br",
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"chemical_system": "Br-H-O",
"density": 1.9956939075626858,
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"volume": 224.58621052293708,
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"formula_full": "H14 Br2 O6",
"formula_reduced": "H7BrO3",
"formula_anonymous": "AB3C7",
"energy": -105.80753611,
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"energy_above_hull": null,
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"total_magnetization": 9e-07,
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"updated_at": "2021-11-28T01:35:22.100000Z",
"spacegroup": 9
},
{
"id": "mp-1399030",
"created_at": "2022-09-04T14:41:08.697261Z",
"structure_string": "Mg4 W4 O8\n1.0\n-2.874167 0.000000 0.000000\n-0.009180 -8.615305 0.000000\n1.178753 1.211583 8.453722\nMg W O\n4 4 8\ndirect\n0.190882 0.085824 0.306015 Mg\n0.809118 0.914176 0.693985 Mg\n0.681171 0.737181 0.369066 Mg\n0.318829 0.262819 0.630934 Mg\n0.946848 0.156386 0.970779 W\n0.686394 0.414426 0.360527 W\n0.313606 0.585574 0.639473 W\n0.053152 0.843614 0.029221 W\n0.472600 0.772120 0.842504 O\n0.854984 0.430015 0.730050 O\n0.145016 0.569985 0.269950 O\n0.527400 0.227880 0.157496 O\n0.363877 0.095554 0.771459 O\n0.751039 0.189601 0.461602 O\n0.636123 0.904446 0.228541 O\n0.248961 0.810399 0.538398 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"W",
"O"
],
"chemical_system": "Mg-O-W",
"density": 7.619910137499526,
"density_atomic": 0.07643448873954867,
"volume": 209.32958751801388,
"volume_molar": 7.8788265079138675,
"formula_full": "Mg4 W4 O8",
"formula_reduced": "MgWO2",
"formula_anonymous": "ABC2",
"energy": -121.34657623,
"energy_per_atom": -7.584161014375,
"energy_above_hull": null,
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"energy_uncorrected": -98.09857623,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 9.7424562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.668000Z",
"spacegroup": 2
},
{
"id": "mp-1103521",
"created_at": "2022-09-04T14:41:08.703732Z",
"structure_string": "Sr8 Rh5\n1.0\n7.315578 0.000000 0.000000\n0.000000 7.315578 0.000000\n0.000000 0.000000 7.315578\nSr Rh\n8 5\ndirect\n0.251100 0.251100 0.748900 Sr\n0.251100 0.748900 0.251100 Sr\n0.748900 0.251100 0.251100 Sr\n0.748900 0.748900 0.748900 Sr\n0.748900 0.748900 0.251100 Sr\n0.748900 0.251100 0.748900 Sr\n0.251100 0.748900 0.748900 Sr\n0.251100 0.251100 0.251100 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Sr",
"Rh"
],
"chemical_system": "Rh-Sr",
"density": 5.155296625963179,
"density_atomic": 0.033204536070820787,
"volume": 391.51277320281656,
"volume_molar": 18.13650022742552,
"formula_full": "Sr8 Rh5",
"formula_reduced": "Sr8Rh5",
"formula_anonymous": "A5B8",
"energy": -51.91975062,
"energy_per_atom": -3.993826970769231,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -51.91975062,
"band_gap": 0.0,
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"total_magnetization": 0.0520998,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.942000Z",
"spacegroup": 221
},
{
"id": "mp-1183296",
"created_at": "2022-09-04T14:41:08.715046Z",
"structure_string": "B2 Pb6\n1.0\n6.497065 -0.009344 0.000000\n-3.256619 5.619527 0.000000\n0.000000 0.000000 5.899796\nB Pb\n2 6\ndirect\n0.333261 0.666724 0.750001 B\n0.666743 0.333270 0.250001 B\n0.169656 0.339486 0.250001 Pb\n0.660517 0.830345 0.250001 Pb\n0.169851 0.830211 0.250001 Pb\n0.830340 0.660513 0.750001 Pb\n0.339484 0.169656 0.750001 Pb\n0.830149 0.169792 0.750001 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Pb"
],
"chemical_system": "B-Pb",
"density": 9.75858065311388,
"density_atomic": 0.03717047700383032,
"volume": 215.22457188740466,
"volume_molar": 16.201408336458623,
"formula_full": "B2 Pb6",
"formula_reduced": "BPb3",
"formula_anonymous": "AB3",
"energy": -27.7485125,
"energy_per_atom": -3.4685640625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -27.7485125,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.027000Z",
"spacegroup": 194
},
{
"id": "mp-674465",
"created_at": "2022-09-04T14:41:08.755407Z",
"structure_string": "K8 Sr4 Cl16\n1.0\n13.154631 0.000000 0.000000\n0.000000 8.075945 0.000000\n0.000000 2.775998 7.689721\nK Sr Cl\n8 4 16\ndirect\n0.944626 0.309376 0.822732 K\n0.439943 0.820408 0.302639 K\n0.810390 0.942650 0.427568 K\n0.627312 0.257249 0.996695 K\n0.560057 0.820408 0.802639 K\n0.189610 0.942650 0.927568 K\n0.055374 0.309376 0.322732 K\n0.372688 0.257249 0.496695 K\n0.307159 0.421583 0.949597 Sr\n0.692841 0.421583 0.449597 Sr\n0.123130 0.745863 0.486624 Sr\n0.876870 0.745863 0.986624 Sr\n0.757442 0.617937 0.752396 Cl\n0.692858 0.778506 0.183239 Cl\n0.239207 0.110745 0.252102 Cl\n0.581909 0.099491 0.420902 Cl\n0.179492 0.349389 0.684696 Cl\n0.517061 0.502038 0.614601 Cl\n0.820508 0.349389 0.184696 Cl\n0.067400 0.571550 0.941472 Cl\n0.482939 0.502038 0.114601 Cl\n0.932600 0.571550 0.441472 Cl\n0.993737 0.973216 0.136137 Cl\n0.307142 0.778506 0.683239 Cl\n0.006263 0.973216 0.636137 Cl\n0.760793 0.110745 0.752102 Cl\n0.418091 0.099491 0.920902 Cl\n0.242558 0.617937 0.252396 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Sr",
"Cl"
],
"chemical_system": "Cl-K-Sr",
"density": 2.501227483714814,
"density_atomic": 0.03427483917113561,
"volume": 816.9257880451287,
"volume_molar": 17.57015030743461,
"formula_full": "K8 Sr4 Cl16",
"formula_reduced": "K2SrCl4",
"formula_anonymous": "AB2C4",
"energy": -115.34650379,
"energy_per_atom": -4.1195179925,
"energy_above_hull": null,
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"energy_uncorrected": -105.52250379,
"band_gap": 4.988099999999999,
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"total_magnetization": 0.0002505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.328000Z",
"spacegroup": 7
},
{
"id": "mp-1233070",
"created_at": "2022-09-04T14:41:08.702359Z",
"structure_string": "Mg1 Co4 Te8 O20\n1.0\n7.577668 0.000003 -0.144985\n0.000005 10.666159 0.000010\n-0.115209 0.000006 6.262346\nMg Co Te O\n1 4 8 20\ndirect\n0.500000 0.305425 0.250000 Mg\n0.000000 0.068512 0.250000 Co\n1.000000 0.946534 0.750000 Co\n0.500000 0.575095 0.250000 Co\n0.500000 0.434226 0.750000 Co\n0.137680 0.344892 0.493700 Te\n0.139074 0.657240 0.985819 Te\n0.342804 0.132595 0.960198 Te\n0.366755 0.848388 0.482291 Te\n0.657196 0.132595 0.539802 Te\n0.633245 0.848389 0.017708 Te\n0.860926 0.657239 0.514181 Te\n0.862320 0.344892 0.006301 Te\n1.000000 0.435078 0.250000 O\n0.000000 0.565866 0.750000 O\n0.093363 0.091724 0.946336 O\n0.153014 0.935209 0.441705 O\n0.200758 0.208155 0.323807 O\n0.191395 0.802515 0.824607 O\n0.315180 0.283152 0.774804 O\n0.308793 0.706059 0.305172 O\n0.363505 0.427729 0.430957 O\n0.350846 0.563406 0.947093 O\n0.499999 0.937650 0.250000 O\n0.500000 0.041987 0.750000 O\n0.636494 0.427729 0.069043 O\n0.649155 0.563405 0.552907 O\n0.684820 0.283151 0.725196 O\n0.691208 0.706059 0.194827 O\n0.799243 0.208155 0.176192 O\n0.808603 0.802514 0.675394 O\n0.906638 0.091723 0.553664 O\n0.846987 0.935208 0.058295 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Mg",
"Co",
"Te",
"O"
],
"chemical_system": "Co-Mg-O-Te",
"density": 5.253701302828869,
"density_atomic": 0.06522080431073683,
"volume": 505.9735210068154,
"volume_molar": 9.233465952532908,
"formula_full": "Mg1 Co4 Te8 O20",
"formula_reduced": "MgCo4(Te2O5)4",
"formula_anonymous": "AB4C8D20",
"energy": -199.279687,
"energy_per_atom": -6.038778393939394,
"energy_above_hull": null,
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"energy_uncorrected": -178.987687,
"band_gap": 0.3391999999999999,
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"is_magnetic": true,
"total_magnetization": 12.0000002,
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"updated_at": "2021-11-28T01:35:12.179000Z",
"spacegroup": 3
},
{
"id": "mp-567467",
"created_at": "2022-09-04T14:41:08.704405Z",
"structure_string": "Cd6 H72 C24 Br18 N6\n1.0\n4.775227 -8.270936 0.000000\n4.775227 8.270936 0.000000\n0.000000 0.000000 21.565414\nCd H C Br N\n6 72 24 18 6\ndirect\n0.977952 0.982135 0.500112 Cd\n0.004183 0.022048 0.166778 Cd\n0.995817 0.977952 0.666778 Cd\n0.017865 0.995817 0.833445 Cd\n0.982135 0.004183 0.333445 Cd\n0.022048 0.017865 0.000112 Cd\n0.266851 0.783684 0.692628 H\n0.329232 0.664076 0.318571 H\n0.665156 0.329232 0.485238 H\n0.484697 0.868816 0.801075 H\n0.369581 0.519968 0.355745 H\n0.692778 0.332895 0.680304 H\n0.733149 0.216316 0.192628 H\n0.546795 0.088430 0.918036 H\n0.730665 0.210219 0.304676 H\n0.470483 0.922517 0.123867 H\n0.458365 0.546795 0.084702 H\n0.664076 0.334844 0.151905 H\n0.335924 0.665156 0.651905 H\n0.427064 0.260711 0.546141 H\n0.873568 0.591404 0.920032 H\n0.332895 0.640117 0.513637 H\n0.911570 0.458365 0.251369 H\n0.849613 0.369581 0.522412 H\n0.307222 0.667105 0.180304 H\n0.334844 0.670768 0.985238 H\n0.282164 0.873568 0.086698 H\n0.789781 0.520446 0.638009 H\n0.640117 0.307222 0.346970 H\n0.536562 0.458406 0.207769 H\n0.541635 0.453205 0.584702 H\n0.667105 0.359883 0.013637 H\n0.453205 0.911570 0.418036 H\n0.458406 0.921845 0.041102 H\n0.439285 0.268490 0.629017 H\n0.166352 0.427064 0.712808 H\n0.868816 0.384119 0.634409 H\n0.483167 0.266851 0.859294 H\n0.359883 0.692778 0.846970 H\n0.529517 0.077483 0.623867 H\n0.216316 0.483167 0.025961 H\n0.210219 0.479554 0.138009 H\n0.560715 0.731510 0.129017 H\n0.408596 0.282164 0.253365 H\n0.479554 0.269335 0.971343 H\n0.452034 0.529517 0.790533 H\n0.384119 0.515303 0.467742 H\n0.572936 0.739289 0.046141 H\n0.541594 0.078155 0.541102 H\n0.731510 0.170795 0.962350 H\n0.739289 0.166352 0.879474 H\n0.269335 0.789781 0.804676 H\n0.516833 0.733149 0.359294 H\n0.515303 0.131184 0.301075 H\n0.260711 0.833648 0.379474 H\n0.670768 0.335924 0.818571 H\n0.170795 0.439285 0.795683 H\n0.519968 0.150387 0.189078 H\n0.150387 0.630419 0.022412 H\n0.591404 0.717836 0.753365 H\n0.520446 0.730665 0.471343 H\n0.783684 0.516833 0.525961 H\n0.077483 0.547966 0.457200 H\n0.480032 0.849613 0.689078 H\n0.630419 0.480032 0.855745 H\n0.463438 0.541594 0.707769 H\n0.829205 0.560715 0.295683 H\n0.088430 0.541635 0.751369 H\n0.922517 0.452034 0.957200 H\n0.078155 0.536562 0.374436 H\n0.921845 0.463438 0.874436 H\n0.717836 0.126432 0.586698 H\n0.126432 0.408596 0.420032 H\n0.268490 0.829205 0.462350 H\n0.547966 0.470483 0.290533 H\n0.131184 0.615881 0.134409 H\n0.833648 0.572936 0.212808 H\n0.615881 0.484697 0.967742 H\n0.254712 0.612118 0.024832 C\n0.240663 0.606386 0.138135 C\n0.675679 0.179892 0.919253 C\n0.324321 0.820108 0.419253 C\n0.864998 0.472821 0.917103 C\n0.365724 0.759337 0.804802 C\n0.820108 0.495787 0.252586 C\n0.135002 0.527179 0.417102 C\n0.642594 0.254712 0.191499 C\n0.606386 0.365724 0.971469 C\n0.179892 0.504213 0.752586 C\n0.504213 0.324321 0.585920 C\n0.607823 0.135002 0.583769 C\n0.393614 0.634276 0.471469 C\n0.357406 0.745288 0.691499 C\n0.745288 0.387882 0.524832 C\n0.527179 0.392177 0.250436 C\n0.472821 0.607823 0.750436 C\n0.759337 0.393614 0.638135 C\n0.392177 0.864998 0.083769 C\n0.634276 0.240663 0.304802 C\n0.612118 0.357406 0.858166 C\n0.387882 0.642594 0.358166 C\n0.495787 0.675679 0.085920 C\n0.757377 0.836505 0.918866 Br\n0.082121 0.275451 0.255284 Br\n0.860123 0.130276 0.076563 Br\n0.724549 0.806669 0.588617 Br\n0.729848 0.860123 0.243230 Br\n0.917879 0.724549 0.755284 Br\n0.836505 0.079128 0.752199 Br\n0.079128 0.242623 0.585532 Br\n0.242623 0.163495 0.418866 Br\n0.869724 0.729848 0.409896 Br\n0.163495 0.920872 0.252199 Br\n0.270152 0.139877 0.743230 Br\n0.920872 0.757377 0.085532 Br\n0.130276 0.270152 0.909896 Br\n0.139877 0.869724 0.576563 Br\n0.275451 0.193331 0.088617 Br\n0.193331 0.917879 0.921950 Br\n0.806669 0.082121 0.421950 Br\n0.656198 0.346272 0.249826 N\n0.346272 0.690074 0.083159 N\n0.653728 0.309926 0.583159 N\n0.690074 0.343802 0.916492 N\n0.309926 0.656198 0.416492 N\n0.343802 0.653728 0.749826 N\n",
"nsites": 126,
"nelements": 5,
"elements": [
"Cd",
"H",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-Cd-H-N",
"density": 2.4931383415858113,
"density_atomic": 0.07396632949358643,
"volume": 1703.4777967578527,
"volume_molar": 8.141732598103541,
"formula_full": "Cd6 H72 C24 Br18 N6",
"formula_reduced": "CdH12C4Br3N",
"formula_anonymous": "ABC3D4E12",
"energy": -602.1894681,
"energy_per_atom": -4.779281492857143,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:13.690000Z",
"spacegroup": 169
},
{
"id": "mp-1014307",
"created_at": "2022-09-04T14:41:08.711777Z",
"structure_string": "Zr2 C2\n1.0\n1.695738 -2.937105 0.000000\n1.695738 2.937105 0.000000\n0.000000 0.000000 5.290053\nZr C\n2 2\ndirect\n0.666667 0.333333 0.750000 Zr\n0.333333 0.666667 0.250000 Zr\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
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"elements": [
"Zr",
"C"
],
"chemical_system": "C-Zr",
"density": 6.5063369283540355,
"density_atomic": 0.07590873384254426,
"volume": 52.6948586482434,
"volume_molar": 7.933396402700627,
"formula_full": "Zr2 C2",
"formula_reduced": "ZrC",
"formula_anonymous": "AB",
"energy": -38.09480858,
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"updated_at": "2021-11-28T01:35:24.452000Z",
"spacegroup": 194
},
{
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