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=88",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=86",
"results": [
{
"id": "mp-1074591",
"created_at": "2022-09-04T14:43:20.612214Z",
"structure_string": "Mg8 Si6\n1.0\n7.661976 0.025492 -2.995907\n-2.922028 6.031570 -3.096511\n0.022063 0.004644 5.955027\nMg Si\n8 6\ndirect\n0.119736 0.701119 0.600097 Mg\n0.899979 0.943465 0.328846 Mg\n0.493819 0.651511 0.647475 Mg\n0.600705 0.499255 0.121465 Mg\n0.792550 0.328547 0.494205 Mg\n0.324503 0.030207 0.461159 Mg\n0.781028 0.153526 0.883262 Mg\n0.195179 0.187354 0.033668 Mg\n0.171392 0.340595 0.560183 Si\n0.262974 0.575662 0.065445 Si\n0.865441 0.779326 0.768389 Si\n0.472647 0.056940 0.971532 Si\n0.968269 0.605255 0.053179 Si\n0.551671 0.897119 0.260924 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.182141805495126,
"density_atomic": 0.050688742514096566,
"volume": 276.19544904091066,
"volume_molar": 11.880627652826934,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -43.88553279,
"energy_per_atom": -3.1346809135714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.31153279,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.791000Z",
"spacegroup": 1
},
{
"id": "mp-1327348",
"created_at": "2022-09-04T14:43:13.256816Z",
"structure_string": "Li6 Mn12 B12 O36\n1.0\n5.252855 0.000000 0.000000\n-2.466365 11.329670 0.000000\n-0.216234 -5.793947 12.669991\nLi Mn B O\n6 12 12 36\ndirect\n0.603499 0.146614 0.623347 Li\n0.360228 0.338214 0.896144 Li\n0.722990 0.856881 0.706518 Li\n0.980834 0.675109 0.430816 Li\n0.306174 0.173434 0.284085 Li\n0.646416 0.662599 0.108259 Li\n0.183576 0.873994 0.826201 Mn\n0.635011 0.378108 0.437267 Mn\n0.492665 0.131256 0.845180 Mn\n0.050039 0.626562 0.245121 Mn\n0.868521 0.885664 0.475782 Mn\n0.301776 0.384774 0.094933 Mn\n0.703840 0.628119 0.891865 Mn\n0.150734 0.127995 0.517180 Mn\n0.975679 0.383187 0.760404 Mn\n0.534290 0.881163 0.141605 Mn\n0.382363 0.637091 0.571588 Mn\n0.827701 0.134881 0.167358 Mn\n0.704255 0.121484 0.399100 B\n0.132995 0.621138 0.024429 B\n0.518130 0.370167 0.664809 B\n0.636393 0.874484 0.923447 B\n0.982790 0.877383 0.251014 B\n0.188227 0.377082 0.323915 B\n0.825191 0.644135 0.659553 B\n0.023561 0.127253 0.737404 B\n0.363208 0.139010 0.072567 B\n0.491785 0.633534 0.348277 B\n0.844851 0.373460 0.984210 B\n0.295631 0.874941 0.599640 B\n0.247613 0.086250 0.758598 O\n0.719855 0.591811 0.364215 O\n0.084596 0.671847 0.927794 O\n0.585532 0.159343 0.475631 O\n0.973101 0.616510 0.114083 O\n0.388784 0.887127 0.679955 O\n0.622002 0.330932 0.591556 O\n0.459972 0.949158 0.896357 O\n0.846167 0.957723 0.199229 O\n0.999921 0.445850 0.319836 O\n0.932647 0.072973 0.415092 O\n0.361526 0.571010 0.030274 O\n0.323144 0.158544 0.977795 O\n0.691496 0.665632 0.738828 O\n0.786380 0.694012 0.555186 O\n0.925204 0.111880 0.658118 O\n0.903482 0.182304 0.800891 O\n0.545159 0.319615 0.769520 O\n0.235923 0.192487 0.140993 O\n0.755116 0.834378 0.847875 O\n0.002341 0.856848 0.349831 O\n0.100752 0.812439 0.195909 O\n0.454101 0.669340 0.246118 O\n0.301564 0.354811 0.239154 O\n0.248862 0.324883 0.417707 O\n0.675006 0.836212 0.020284 O\n0.615582 0.417300 0.970893 O\n0.070716 0.917005 0.577682 O\n0.009050 0.574655 0.665778 O\n0.528574 0.070384 0.114632 O\n0.316805 0.637982 0.429604 O\n0.624564 0.129159 0.311489 O\n0.033910 0.385772 0.899643 O\n0.424523 0.824801 0.532402 O\n0.875237 0.321055 0.086902 O\n0.366843 0.457119 0.651839 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.0976669803624226,
"density_atomic": 0.08752960248797066,
"volume": 754.0306150604362,
"volume_molar": 6.880118941277762,
"formula_full": "Li6 Mn12 B12 O36",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -409.88671997,
"energy_per_atom": -6.210404848030303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -365.13871997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0225936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.872000Z",
"spacegroup": 1
},
{
"id": "mp-1219367",
"created_at": "2022-09-04T14:43:12.742042Z",
"structure_string": "Sc1 Mn6 Ga1 Ge5\n1.0\n-2.553497 -4.422384 0.000000\n-2.553835 4.422579 0.000000\n0.000000 0.000000 -8.164676\nSc Mn Ga Ge\n1 6 1 5\ndirect\n0.999982 0.000001 0.000000 Sc\n0.000734 0.500373 0.246663 Mn\n0.499617 0.999248 0.246666 Mn\n0.499619 0.500372 0.246657 Mn\n0.000734 0.500373 0.753337 Mn\n0.499617 0.999248 0.753334 Mn\n0.499619 0.500372 0.753343 Mn\n0.666619 0.333316 0.500000 Ga\n0.333320 0.666674 0.000000 Ge\n0.666640 0.333337 0.000000 Ge\n0.999990 0.000001 0.337545 Ge\n0.999990 0.000001 0.662455 Ge\n0.333320 0.666682 0.500000 Ge\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Sc",
"Mn",
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge-Mn-Sc",
"density": 7.271038123507003,
"density_atomic": 0.07049272236204404,
"volume": 184.41620020338004,
"volume_molar": 8.542925508069963,
"formula_full": "Sc1 Mn6 Ga1 Ge5",
"formula_reduced": "ScMn6GaGe5",
"formula_anonymous": "ABC5D6",
"energy": -91.51205496,
"energy_per_atom": -7.039388843076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.51205496,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.8771985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.176000Z",
"spacegroup": 187
},
{
"id": "mp-978266",
"created_at": "2022-09-04T14:43:12.745051Z",
"structure_string": "Mg2 Zn1 Pt1\n1.0\n0.000000 3.217371 3.217371\n3.217371 0.000000 3.217371\n3.217371 3.217371 0.000000\nMg Zn Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Pt"
],
"chemical_system": "Mg-Pt-Zn",
"density": 7.7058205845152346,
"density_atomic": 0.06005187429082601,
"volume": 66.6090783549627,
"volume_molar": 10.028231143686368,
"formula_full": "Mg2 Zn1 Pt1",
"formula_reduced": "Mg2ZnPt",
"formula_anonymous": "ABC2",
"energy": -12.62434901,
"energy_per_atom": -3.1560872525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.62434901,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.575000Z",
"spacegroup": 225
},
{
"id": "mp-1113670",
"created_at": "2022-09-04T14:43:08.596471Z",
"structure_string": "Rb2 Na1 Pd1 F6\n1.0\n0.000000 4.370782 4.370782\n4.370782 0.000000 4.370782\n4.370782 4.370782 0.000000\nRb Na Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pd\n0.236277 0.236277 0.763723 F\n0.236277 0.763723 0.763723 F\n0.763723 0.763723 0.236277 F\n0.236277 0.763723 0.236277 F\n0.763723 0.236277 0.763723 F\n0.763723 0.236277 0.236277 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Pd",
"F"
],
"chemical_system": "F-Na-Pd-Rb",
"density": 4.119970548723049,
"density_atomic": 0.059881485669047954,
"volume": 166.9965246899157,
"volume_molar": 10.056765781134878,
"formula_full": "Rb2 Na1 Pd1 F6",
"formula_reduced": "Rb2NaPdF6",
"formula_anonymous": "ABC2D6",
"energy": -44.90481423,
"energy_per_atom": -4.490481423,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.13281423,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999614,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.159000Z",
"spacegroup": 225
},
{
"id": "mp-1210932",
"created_at": "2022-09-04T14:43:13.272149Z",
"structure_string": "Mn4 Bi8 O20\n1.0\n0.000000 0.000000 6.559874\n7.347434 0.000000 0.000000\n0.000000 9.718311 0.000000\nMn Bi O\n4 8 20\ndirect\n0.500000 0.356962 0.385232 Mn\n0.500000 0.643038 0.614768 Mn\n0.500000 0.143038 0.885232 Mn\n0.500000 0.856962 0.114768 Mn\n0.000000 0.043330 0.167275 Bi\n0.000000 0.956670 0.832725 Bi\n0.000000 0.456670 0.667275 Bi\n0.000000 0.543330 0.332725 Bi\n0.255306 0.000000 0.500000 Bi\n0.744694 0.000000 0.500000 Bi\n0.744694 0.500000 0.000000 Bi\n0.255306 0.500000 0.000000 Bi\n0.260609 0.000000 0.000000 O\n0.739391 0.000000 0.000000 O\n0.739391 0.500000 0.500000 O\n0.260609 0.500000 0.500000 O\n0.000000 0.345990 0.098189 O\n0.000000 0.654010 0.901811 O\n0.000000 0.154010 0.598189 O\n0.000000 0.845990 0.401811 O\n0.500000 0.330639 0.075840 O\n0.500000 0.669361 0.924160 O\n0.500000 0.169361 0.575840 O\n0.500000 0.830639 0.424160 O\n0.251383 0.164817 0.322601 O\n0.748617 0.835183 0.677399 O\n0.251383 0.835183 0.677399 O\n0.748617 0.335183 0.822601 O\n0.748617 0.164817 0.322601 O\n0.251383 0.664817 0.177399 O\n0.748617 0.664817 0.177399 O\n0.251383 0.335183 0.822601 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O",
"density": 7.840259380503036,
"density_atomic": 0.06831687527059094,
"volume": 468.40549824993775,
"volume_molar": 8.815012010059558,
"formula_full": "Mn4 Bi8 O20",
"formula_reduced": "MnBi2O5",
"formula_anonymous": "AB2C5",
"energy": -214.67958401,
"energy_per_atom": -6.7087370003125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.26758401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.8034213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.078000Z",
"spacegroup": 55
},
{
"id": "mp-1048563",
"created_at": "2022-09-04T14:43:08.597870Z",
"structure_string": "Mg4 Nb4 Cu2 O16\n1.0\n3.036919 9.555582 0.000000\n-3.036919 9.555582 0.000000\n0.000000 0.155380 5.162845\nMg Nb Cu O\n4 4 2 16\ndirect\n0.869991 0.586546 0.752219 Mg\n0.413454 0.130009 0.747781 Mg\n0.130009 0.413454 0.247781 Mg\n0.586546 0.869991 0.252219 Mg\n0.049063 0.719773 0.735538 Nb\n0.280227 0.950937 0.764462 Nb\n0.950937 0.280227 0.264462 Nb\n0.719773 0.049063 0.235538 Nb\n0.651256 0.348744 0.750000 Cu\n0.348744 0.651256 0.250000 Cu\n0.039451 0.816328 0.068855 O\n0.183672 0.960549 0.431145 O\n0.960549 0.183672 0.931145 O\n0.816328 0.039451 0.568855 O\n0.306481 0.580713 0.561025 O\n0.419287 0.693519 0.938975 O\n0.693519 0.419287 0.438975 O\n0.580713 0.306481 0.061025 O\n0.914541 0.710250 0.453391 O\n0.289750 0.085459 0.046609 O\n0.452096 0.165353 0.377559 O\n0.834647 0.547904 0.122441 O\n0.547904 0.834647 0.622441 O\n0.165353 0.452096 0.877559 O\n0.710250 0.914541 0.953391 O\n0.085459 0.289750 0.546609 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mg",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-Nb-O",
"density": 4.721092549538289,
"density_atomic": 0.08676886431746865,
"volume": 299.64665556612084,
"volume_molar": 6.940439761855451,
"formula_full": "Mg4 Nb4 Cu2 O16",
"formula_reduced": "Mg2Nb2CuO8",
"formula_anonymous": "AB2C2D8",
"energy": -204.36082256,
"energy_per_atom": -7.860031636923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.36882256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0325465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.834000Z",
"spacegroup": 15
},
{
"id": "mp-1246862",
"created_at": "2022-09-04T14:43:06.602214Z",
"structure_string": "Zr4 Co4 N8\n1.0\n5.904966 0.000000 0.000000\n0.000000 7.173298 0.000000\n0.000000 0.000000 4.418912\nZr Co N\n4 4 8\ndirect\n0.626940 0.378576 0.937500 Zr\n0.373060 0.621424 0.437500 Zr\n0.873060 0.878576 0.437500 Zr\n0.126940 0.121424 0.937500 Zr\n0.558173 0.845757 0.937498 Co\n0.441827 0.154243 0.437498 Co\n0.941827 0.345757 0.437498 Co\n0.058173 0.654243 0.937498 Co\n0.608258 0.386923 0.437500 N\n0.391742 0.613077 0.937500 N\n0.891742 0.886923 0.937500 N\n0.108258 0.113077 0.437500 N\n0.516561 0.889527 0.437503 N\n0.483439 0.110473 0.937503 N\n0.983439 0.389527 0.937503 N\n0.016561 0.610473 0.437503 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Co",
"N"
],
"chemical_system": "Co-N-Zr",
"density": 6.322567749854353,
"density_atomic": 0.08548075616499441,
"volume": 187.17663153466847,
"volume_molar": 7.045025138027677,
"formula_full": "Zr4 Co4 N8",
"formula_reduced": "ZrCoN2",
"formula_anonymous": "ABC2",
"energy": -142.27014398,
"energy_per_atom": -8.89188399875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.38214398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.904341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.882000Z",
"spacegroup": 62
},
{
"id": "mp-1225213",
"created_at": "2022-09-04T14:43:07.242375Z",
"structure_string": "Gd16 Mg2 Al2 Ni4\n1.0\n-6.816833 -0.040778 -6.813300\n6.819353 -6.821908 -0.043326\n-6.813448 -6.816058 -0.044078\nGd Mg Al Ni\n16 2 2 4\ndirect\n0.693005 0.347956 0.957449 Gd\n0.305760 0.348127 0.345677 Gd\n0.301790 0.954746 0.347253 Gd\n0.698084 0.351210 0.348368 Gd\n0.379544 0.190362 0.810847 Gd\n0.998870 0.810039 0.809998 Gd\n0.001866 0.187029 0.813459 Gd\n0.620164 0.809211 0.187850 Gd\n0.000844 0.189755 0.189899 Gd\n0.001188 0.807047 0.193291 Gd\n0.128799 0.563773 0.939719 Gd\n0.495922 0.931415 0.940489 Gd\n0.499522 0.564572 0.937280 Gd\n0.869292 0.930738 0.565597 Gd\n0.503153 0.563708 0.565668 Gd\n0.499042 0.934259 0.565498 Gd\n0.845613 0.271912 0.574476 Mg\n0.154396 0.580758 0.573405 Mg\n0.155241 0.580992 0.263085 Al\n0.846175 0.582418 0.572008 Al\n0.284409 0.141154 0.573307 Ni\n0.715919 0.142529 0.142096 Ni\n0.718208 0.574608 0.141369 Ni\n0.283194 0.141682 0.141912 Ni\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Gd",
"Mg",
"Al",
"Ni"
],
"chemical_system": "Al-Gd-Mg-Ni",
"density": 7.481407801050929,
"density_atomic": 0.03789578706559884,
"volume": 633.3157814734186,
"volume_molar": 15.891319923176363,
"formula_full": "Gd16 Mg2 Al2 Ni4",
"formula_reduced": "Gd8MgAlNi2",
"formula_anonymous": "ABC2D8",
"energy": -265.20643327,
"energy_per_atom": -11.050268052916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -265.20643327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.6646597,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.943000Z",
"spacegroup": 44
},
{
"id": "mp-973894",
"created_at": "2022-09-04T14:43:19.274214Z",
"structure_string": "La1 Nd1 Zn2\n1.0\n0.000000 3.729185 3.729185\n3.729185 0.000000 3.729185\n3.729185 3.729185 0.000000\nLa Nd Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Nd\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Nd",
"Zn"
],
"chemical_system": "La-Nd-Zn",
"density": 6.627373283483794,
"density_atomic": 0.03856454481190924,
"volume": 103.72221478327283,
"volume_molar": 15.615744434095548,
"formula_full": "La1 Nd1 Zn2",
"formula_reduced": "LaNdZn2",
"formula_anonymous": "ABC2",
"energy": -13.47720211,
"energy_per_atom": -3.3693005275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.47720211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.057000Z",
"spacegroup": 225
},
{
"id": "mp-581730",
"created_at": "2022-09-04T14:43:07.250949Z",
"structure_string": "Ho4 Ga21 Ni10\n1.0\n2.034109 10.455465 0.000000\n-2.034109 10.455465 0.000000\n0.000000 8.823891 12.663213\nHo Ga Ni\n4 21 10\ndirect\n0.232423 0.232423 0.677435 Ho\n0.881987 0.881987 0.833035 Ho\n0.118013 0.118013 0.166965 Ho\n0.767577 0.767577 0.322565 Ho\n0.883243 0.883243 0.052259 Ga\n0.994926 0.994926 0.591059 Ga\n0.384245 0.384245 0.204374 Ga\n0.702842 0.702842 0.998235 Ga\n0.797716 0.797716 0.503948 Ga\n0.376692 0.376692 0.694102 Ga\n0.615755 0.615755 0.795626 Ga\n0.398554 0.398554 0.496352 Ga\n0.623308 0.623308 0.305898 Ga\n0.754289 0.754289 0.794678 Ga\n0.005074 0.005074 0.408941 Ga\n0.932582 0.932582 0.295514 Ga\n0.202284 0.202284 0.496052 Ga\n0.067418 0.067418 0.704486 Ga\n0.500000 0.500000 0.000000 Ga\n0.540290 0.540290 0.129244 Ga\n0.116757 0.116757 0.947741 Ga\n0.297158 0.297158 0.001765 Ga\n0.459710 0.459710 0.870756 Ga\n0.601446 0.601446 0.503648 Ga\n0.245711 0.245711 0.205322 Ga\n0.499451 0.499451 0.687596 Ni\n0.024676 0.024676 0.893367 Ni\n0.975324 0.975324 0.106633 Ni\n0.345148 0.345148 0.389225 Ni\n0.869507 0.869507 0.603379 Ni\n0.249837 0.249837 0.886363 Ni\n0.750163 0.750163 0.113637 Ni\n0.130493 0.130493 0.396621 Ni\n0.654852 0.654852 0.610775 Ni\n0.500549 0.500549 0.312404 Ni\n",
"nsites": 35,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ho-Ni",
"density": 8.357208276262666,
"density_atomic": 0.06497952956525718,
"volume": 538.6311694493024,
"volume_molar": 9.267750628991745,
"formula_full": "Ho4 Ga21 Ni10",
"formula_reduced": "Ho4Ga21Ni10",
"formula_anonymous": "A4B10C21",
"energy": -157.4391328,
"energy_per_atom": -4.498260937142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.4391328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003667,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.260000Z",
"spacegroup": 12
},
{
"id": "mp-1104540",
"created_at": "2022-09-04T14:43:22.968162Z",
"structure_string": "Tb1 Al8 Cr4\n1.0\n0.000000 0.000000 5.060662\n-4.458138 4.458138 2.530331\n-4.458138 -4.458138 2.530331\nTb Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.336455 0.663545 Al\n0.000000 0.663545 0.336455 Al\n0.663545 0.336455 0.336455 Al\n0.336455 0.663545 0.663545 Al\n0.500000 0.776753 0.223247 Al\n0.500000 0.223247 0.776753 Al\n0.723247 0.776753 0.776753 Al\n0.276753 0.223247 0.223247 Al\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Tb",
"density": 4.810564292235525,
"density_atomic": 0.0646247698147993,
"volume": 201.16125809430667,
"volume_molar": 9.318626243866186,
"formula_full": "Tb1 Al8 Cr4",
"formula_reduced": "Tb(Al2Cr)4",
"formula_anonymous": "AB4C8",
"energy": -75.9568241,
"energy_per_atom": -5.842832623076924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.9568241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3030596,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.319000Z",
"spacegroup": 139
}
]
}