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=-band_gap&page=11527",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11525",
"results": [
{
"id": "mp-753966",
"created_at": "2022-09-04T14:42:17.645528Z",
"structure_string": "Li12 Cr2 S8\n1.0\n8.163227 0.000000 0.000000\n0.000000 8.163227 0.000000\n0.000000 0.000000 5.635603\nLi Cr S\n12 2 8\ndirect\n0.276596 0.276596 0.500000 Li\n0.723404 0.276596 0.500000 Li\n0.000000 0.500000 0.448789 Li\n0.000000 0.500000 0.948789 Li\n0.276596 0.723404 0.500000 Li\n0.723404 0.723404 0.500000 Li\n0.776596 0.776596 0.000000 Li\n0.223404 0.776596 0.000000 Li\n0.500000 0.000000 0.051211 Li\n0.500000 0.000000 0.551211 Li\n0.776596 0.223404 0.000000 Li\n0.223404 0.223404 0.000000 Li\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.259495 0.700000 S\n0.759495 0.500000 0.200000 S\n0.240505 0.500000 0.200000 S\n0.000000 0.740505 0.700000 S\n0.500000 0.759495 0.800000 S\n0.740505 0.000000 0.300000 S\n0.259495 0.000000 0.300000 S\n0.500000 0.240505 0.800000 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Cr",
"S"
],
"chemical_system": "Cr-Li-S",
"density": 1.9623495361240384,
"density_atomic": 0.05858123759999528,
"volume": 375.5468628064931,
"volume_molar": 10.27998213544141,
"formula_full": "Li12 Cr2 S8",
"formula_reduced": "Li6CrS4",
"formula_anonymous": "AB4C6",
"energy": -103.88818876,
"energy_per_atom": -4.7221903981818185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.86418876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9993433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.046000Z",
"spacegroup": 137
},
{
"id": "mp-984082",
"created_at": "2022-09-04T14:42:17.693298Z",
"structure_string": "Cs1 Gd1 O3\n1.0\n4.545455 0.000000 0.000000\n0.000000 4.545455 0.000000\n0.000000 0.000000 4.545455\nCs Gd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Gd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Gd",
"O"
],
"chemical_system": "Cs-Gd-O",
"density": 5.97903494369514,
"density_atomic": 0.053239984028003215,
"volume": 93.91437828700504,
"volume_molar": 11.31131210864464,
"formula_full": "Cs1 Gd1 O3",
"formula_reduced": "CsGdO3",
"formula_anonymous": "ABC3",
"energy": -41.15966467,
"energy_per_atom": -8.231932934,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.09866467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0001556,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.903000Z",
"spacegroup": 221
},
{
"id": "mp-1008617",
"created_at": "2022-09-04T14:42:17.613200Z",
"structure_string": "Yb1 Ag2\n1.0\n-1.864052 1.864052 4.699268\n1.864052 -1.864052 4.699268\n1.864052 1.864052 -4.699268\nYb Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.671751 0.671751 0.000000 Ag\n0.328249 0.328249 0.000000 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Yb",
"Ag"
],
"chemical_system": "Ag-Yb",
"density": 9.88422765912752,
"density_atomic": 0.045931962655954575,
"volume": 65.31399545172893,
"volume_molar": 13.11100247361038,
"formula_full": "Yb1 Ag2",
"formula_reduced": "YbAg2",
"formula_anonymous": "AB2",
"energy": -8.22204147,
"energy_per_atom": -2.7406804900000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.22204147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005906,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.436000Z",
"spacegroup": 139
},
{
"id": "mp-680054",
"created_at": "2022-09-04T14:42:17.714489Z",
"structure_string": "Ce40 B32 C40\n1.0\n8.297005 -0.000157 -0.000670\n-0.000158 8.354822 0.000116\n-0.001974 0.000332 23.958314\nCe B C\n40 32 40\ndirect\n0.839660 0.200243 0.585825 Ce\n0.140744 0.293759 0.935973 Ce\n0.255155 0.989837 0.052188 Ce\n0.339734 0.700248 0.914241 Ce\n0.572374 0.494759 0.195660 Ce\n0.954226 0.290358 0.196545 Ce\n0.755029 0.489946 0.447840 Ce\n0.241957 0.411957 0.800162 Ce\n0.927584 0.494724 0.695700 Ce\n0.427594 0.994650 0.804291 Ce\n0.859159 0.793652 0.064056 Ce\n0.629881 0.606759 0.802823 Ce\n0.947704 0.910866 0.938806 Ce\n0.665388 0.200901 0.318088 Ce\n0.165458 0.700888 0.181870 Ce\n0.447756 0.410927 0.561239 Ce\n0.741918 0.911863 0.699791 Ce\n0.744829 0.489949 0.947839 Ce\n0.758041 0.911895 0.199781 Ce\n0.244966 0.989837 0.552186 Ce\n0.045505 0.596027 0.558732 Ce\n0.454278 0.790351 0.303405 Ce\n0.545765 0.290345 0.696572 Ce\n0.834546 0.200945 0.818102 Ce\n0.160351 0.700263 0.414185 Ce\n0.258106 0.411864 0.300164 Ce\n0.334605 0.700900 0.681885 Ce\n0.545541 0.096029 0.941322 Ce\n0.640803 0.793700 0.564067 Ce\n0.870093 0.606759 0.302787 Ce\n0.359238 0.293690 0.435949 Ce\n0.954449 0.095997 0.441285 Ce\n0.370092 0.106793 0.197139 Ce\n0.660290 0.200283 0.085791 Ce\n0.052292 0.410963 0.061285 Ce\n0.129866 0.106783 0.697203 Ce\n0.072393 0.994754 0.304260 Ce\n0.045778 0.790286 0.803406 Ce\n0.552313 0.910834 0.438819 Ce\n0.454479 0.596038 0.058718 Ce\n0.301332 0.379395 0.138669 B\n0.357080 0.699616 0.515483 B\n0.937660 0.898453 0.528399 B\n0.953129 0.099606 0.032201 B\n0.856898 0.199613 0.984550 B\n0.143149 0.699590 0.015450 B\n0.368610 0.290392 0.024166 B\n0.658512 0.560355 0.640748 B\n0.698673 0.879280 0.861312 B\n0.457831 0.013471 0.643175 B\n0.518582 0.328867 0.857503 B\n0.868474 0.790366 0.475854 B\n0.158569 0.060254 0.859267 B\n0.546874 0.099559 0.532215 B\n0.018588 0.828820 0.642532 B\n0.341553 0.060305 0.359239 B\n0.131451 0.290395 0.524164 B\n0.453184 0.599591 0.467791 B\n0.046807 0.599623 0.967805 B\n0.841520 0.560339 0.140723 B\n0.542204 0.513547 0.356842 B\n0.198688 0.379311 0.638712 B\n0.481377 0.828805 0.142504 B\n0.437746 0.398593 0.971649 B\n0.957689 0.513549 0.856853 B\n0.631386 0.790280 0.975855 B\n0.801277 0.879263 0.361301 B\n0.642957 0.199554 0.484532 B\n0.562247 0.898447 0.028373 B\n0.062307 0.398469 0.471624 B\n0.981445 0.328874 0.357459 B\n0.042265 0.013549 0.143131 B\n0.564978 0.498226 0.296196 C\n0.537289 0.305112 0.797107 C\n0.648492 0.802110 0.913746 C\n0.467763 0.594006 0.405549 C\n0.449049 0.387598 0.909855 C\n0.245119 0.992324 0.908206 C\n0.661368 0.197426 0.192477 C\n0.838324 0.198766 0.922878 C\n0.037294 0.805118 0.702917 C\n0.838633 0.197473 0.692500 C\n0.745157 0.492416 0.591801 C\n0.148559 0.302155 0.586250 C\n0.765015 0.898917 0.301609 C\n0.338391 0.698732 0.577151 C\n0.032234 0.593988 0.905549 C\n0.632741 0.605125 0.699517 C\n0.851429 0.802128 0.413758 C\n0.234918 0.398981 0.698378 C\n0.351508 0.302099 0.086245 C\n0.161396 0.697366 0.307472 C\n0.435030 0.998163 0.703789 C\n0.734914 0.898968 0.801645 C\n0.661669 0.198719 0.422876 C\n0.132758 0.105093 0.800500 C\n0.050926 0.387569 0.409841 C\n0.254904 0.992337 0.408181 C\n0.532269 0.093942 0.594468 C\n0.161740 0.698738 0.077123 C\n0.064948 0.998250 0.203757 C\n0.462737 0.805233 0.202910 C\n0.550950 0.887583 0.090138 C\n0.367287 0.105111 0.300451 C\n0.935045 0.498211 0.796221 C\n0.967735 0.094006 0.094447 C\n0.338611 0.697464 0.807536 C\n0.962702 0.305205 0.297048 C\n0.949019 0.887547 0.590167 C\n0.265058 0.398857 0.198350 C\n0.754793 0.492316 0.091798 C\n0.867246 0.605069 0.199530 C\n",
"nsites": 112,
"nelements": 3,
"elements": [
"Ce",
"B",
"C"
],
"chemical_system": "B-C-Ce",
"density": 6.430047110042329,
"density_atomic": 0.06743777295033505,
"volume": 1660.7903123147773,
"volume_molar": 8.929922351432099,
"formula_full": "Ce40 B32 C40",
"formula_reduced": "Ce5B4C5",
"formula_anonymous": "A4B5C5",
"energy": -859.97383636,
"energy_per_atom": -7.678337824642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -859.97383636,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.7933364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.110000Z",
"spacegroup": 33
},
{
"id": "mp-674343",
"created_at": "2022-09-04T14:42:17.782258Z",
"structure_string": "Ti10 Cu7 S20\n1.0\n1.719874 6.439814 0.000000\n-1.719874 6.439814 0.000000\n0.000000 4.337474 29.329611\nTi Cu S\n10 7 20\ndirect\n0.002905 0.002905 0.998990 Ti\n0.499223 0.499223 0.899920 Ti\n0.002253 0.002253 0.800230 Ti\n0.497758 0.497758 0.699571 Ti\n0.502116 0.502116 0.500477 Ti\n0.999908 0.999908 0.600102 Ti\n0.997790 0.997790 0.399649 Ti\n0.499979 0.499979 0.300188 Ti\n0.001765 0.001765 0.200342 Ti\n0.501567 0.501567 0.099981 Ti\n0.710827 0.710827 0.685017 Cu\n0.788771 0.788771 0.814972 Cu\n0.210752 0.210752 0.385053 Cu\n0.289077 0.289077 0.514965 Cu\n0.787401 0.787401 0.216465 Cu\n0.286046 0.286046 0.114117 Cu\n0.787667 0.787667 0.012682 Cu\n0.382654 0.382654 0.973283 S\n0.885902 0.885902 0.874395 S\n0.110623 0.110623 0.925920 S\n0.383630 0.383630 0.773281 S\n0.615054 0.615054 0.826210 S\n0.884433 0.884433 0.674166 S\n0.116085 0.116085 0.726701 S\n0.386509 0.386509 0.574814 S\n0.613466 0.613466 0.625168 S\n0.883651 0.883651 0.473264 S\n0.115569 0.115569 0.525871 S\n0.384371 0.384371 0.374155 S\n0.616298 0.616298 0.426723 S\n0.886814 0.886814 0.275182 S\n0.113341 0.113341 0.325220 S\n0.382346 0.382346 0.174857 S\n0.614627 0.614627 0.225483 S\n0.882627 0.882627 0.074069 S\n0.113588 0.113588 0.125872 S\n0.614603 0.614603 0.025849 S\n",
"nsites": 37,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"S"
],
"chemical_system": "Cu-S-Ti",
"density": 3.9994425332928203,
"density_atomic": 0.05695022843277038,
"volume": 649.6901069269356,
"volume_molar": 10.57439263322556,
"formula_full": "Ti10 Cu7 S20",
"formula_reduced": "Ti10Cu7S20",
"formula_anonymous": "A7B10C20",
"energy": -239.46084484,
"energy_per_atom": -6.471914725405405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.40084484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0094092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.745000Z",
"spacegroup": 8
},
{
"id": "mp-1025347",
"created_at": "2022-09-04T14:42:17.664441Z",
"structure_string": "Ti2 Co1 Se4\n1.0\n1.794211 6.602676 0.000000\n-1.794211 6.602676 0.000000\n0.000000 2.826209 5.454967\nTi Co Se\n2 1 4\ndirect\n0.747815 0.747815 0.264727 Ti\n0.252185 0.252185 0.735273 Ti\n0.000000 0.000000 0.000000 Co\n0.886070 0.886070 0.449503 Se\n0.113930 0.113930 0.550497 Se\n0.619383 0.619383 0.045322 Se\n0.380617 0.380617 0.954678 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Se"
],
"chemical_system": "Co-Se-Ti",
"density": 6.045047833835143,
"density_atomic": 0.054160468849383206,
"volume": 129.24555766802078,
"volume_molar": 11.119070584021694,
"formula_full": "Ti2 Co1 Se4",
"formula_reduced": "Ti2CoSe4",
"formula_anonymous": "AB2C4",
"energy": -45.1241801,
"energy_per_atom": -6.446311442857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.2361801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1264056,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.806000Z",
"spacegroup": 12
},
{
"id": "mp-1186013",
"created_at": "2022-09-04T14:42:17.665263Z",
"structure_string": "Mn2 Pd6\n1.0\n2.792574 -4.836880 0.000000\n2.792574 4.836880 0.000000\n0.000000 0.000000 4.529462\nMn Pd\n2 6\ndirect\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.664298 0.832149 0.250000 Pd\n0.167851 0.335702 0.250000 Pd\n0.167851 0.832149 0.250000 Pd\n0.832149 0.664298 0.750000 Pd\n0.335702 0.167851 0.750000 Pd\n0.832149 0.167851 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Pd"
],
"chemical_system": "Mn-Pd",
"density": 10.156264155896826,
"density_atomic": 0.06537976687044393,
"volume": 122.36201477825306,
"volume_molar": 9.211015958398,
"formula_full": "Mn2 Pd6",
"formula_reduced": "MnPd3",
"formula_anonymous": "AB3",
"energy": -51.0828627,
"energy_per_atom": -6.3853578375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.0828627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.1517201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.182000Z",
"spacegroup": 194
},
{
"id": "mp-865031",
"created_at": "2022-09-04T14:42:17.667663Z",
"structure_string": "Mg4 Zn2 B4 Ir10\n1.0\n9.490687 0.000000 0.000000\n0.000000 9.490687 0.000000\n0.000000 0.000000 2.947245\nMg Zn B Ir\n4 2 4 10\ndirect\n0.323229 0.823229 0.000000 Mg\n0.676771 0.176771 0.000000 Mg\n0.176771 0.323229 0.000000 Mg\n0.823229 0.676771 0.000000 Mg\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.126896 0.626896 0.000000 B\n0.873104 0.373104 0.000000 B\n0.373104 0.126896 0.000000 B\n0.626896 0.873104 0.000000 B\n0.570542 0.715630 0.500000 Ir\n0.429458 0.284370 0.500000 Ir\n0.929458 0.215630 0.500000 Ir\n0.070542 0.784370 0.500000 Ir\n0.784370 0.929458 0.500000 Ir\n0.215630 0.070542 0.500000 Ir\n0.284370 0.570542 0.500000 Ir\n0.715630 0.429458 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Zn",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg-Zn",
"density": 13.720365836643513,
"density_atomic": 0.07533875769838241,
"volume": 265.46761070934696,
"volume_molar": 7.993416594562856,
"formula_full": "Mg4 Zn2 B4 Ir10",
"formula_reduced": "Mg2ZnB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy": -133.22831597,
"energy_per_atom": -6.6614157985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.22831597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001793,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.643000Z",
"spacegroup": 127
},
{
"id": "mp-1186256",
"created_at": "2022-09-04T14:42:17.671962Z",
"structure_string": "Nd2 Tl1 Ag1\n1.0\n0.000000 3.848883 3.848883\n3.848883 0.000000 3.848883\n3.848883 3.848883 0.000000\nNd Tl Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Tl",
"Ag"
],
"chemical_system": "Ag-Nd-Tl",
"density": 8.747788423617553,
"density_atomic": 0.0350772766010523,
"volume": 114.03393842382854,
"volume_molar": 17.168210715136702,
"formula_full": "Nd2 Tl1 Ag1",
"formula_reduced": "Nd2TlAg",
"formula_anonymous": "ABC2",
"energy": -16.03010485,
"energy_per_atom": -4.0075262125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.03010485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2852574,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.512000Z",
"spacegroup": 225
},
{
"id": "mp-1014379",
"created_at": "2022-09-04T14:42:17.674298Z",
"structure_string": "Cr6 N8\n1.0\n0.000000 4.090570 4.090570\n4.090570 0.000000 4.090570\n4.090570 4.090570 0.000000\nCr N\n6 8\ndirect\n0.500000 0.500000 0.500000 Cr\n0.750000 0.750000 0.750000 Cr\n0.125000 0.625000 0.125000 Cr\n0.625000 0.125000 0.125000 Cr\n0.125000 0.125000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.371314 0.886058 0.371314 N\n0.886058 0.371314 0.371314 N\n0.371314 0.371314 0.371314 N\n0.371314 0.371314 0.886058 N\n0.878686 0.363942 0.878686 N\n0.363942 0.878686 0.878686 N\n0.878686 0.878686 0.878686 N\n0.878686 0.878686 0.363942 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 5.143567028403264,
"density_atomic": 0.10226959902842127,
"volume": 136.89307607541636,
"volume_molar": 5.888495522825326,
"formula_full": "Cr6 N8",
"formula_reduced": "Cr3N4",
"formula_anonymous": "A3B4",
"energy": -131.39833114,
"energy_per_atom": -9.385595081428573,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.51033114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.5385555,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.286000Z",
"spacegroup": 227
},
{
"id": "mp-19246",
"created_at": "2022-09-04T14:42:17.685138Z",
"structure_string": "Sr2 Mn3 Sb2 O2\n1.0\n4.254628 0.000000 -0.881830\n-0.182771 4.250700 -0.881830\n0.005678 0.005928 10.732112\nSr Mn Sb O\n2 3 2 2\ndirect\n0.421609 0.421609 0.843218 Sr\n0.578392 0.578392 0.156783 Sr\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250001 0.500000 Mn\n0.250001 0.750000 0.500000 Mn\n0.839116 0.839116 0.678232 Sb\n0.160883 0.160883 0.321767 Sb\n0.999999 0.499999 0.000000 O\n0.500001 0.000000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb-Sr",
"density": 5.265284636075353,
"density_atomic": 0.046359180342751695,
"volume": 194.13630554853327,
"volume_molar": 12.990179540440403,
"formula_full": "Sr2 Mn3 Sb2 O2",
"formula_reduced": "Sr2Mn3(SbO)2",
"formula_anonymous": "A2B2C2D3",
"energy": -61.05289918,
"energy_per_atom": -6.783655464444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.29089918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.8056641,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.150000Z",
"spacegroup": 139
},
{
"id": "mp-865485",
"created_at": "2022-09-04T14:42:17.704273Z",
"structure_string": "V2 Cr1 Os1\n1.0\n0.000000 2.972832 2.972832\n2.972832 0.000000 2.972832\n2.972832 2.972832 0.000000\nV Cr Os\n2 1 1\ndirect\n0.750000 0.750000 0.750000 V\n0.250000 0.250000 0.250000 V\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"Os"
],
"chemical_system": "Cr-Os-V",
"density": 10.874371310076796,
"density_atomic": 0.07612352562419185,
"volume": 52.546173698618226,
"volume_molar": 7.91101136031222,
"formula_full": "V2 Cr1 Os1",
"formula_reduced": "V2CrOs",
"formula_anonymous": "ABC2",
"energy": -40.23957986,
"energy_per_atom": -10.059894965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.23957986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.332000Z",
"spacegroup": 225
}
]
}