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=-is_magnetic&page=11517",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=11515",
"results": [
{
"id": "mp-1206304",
"created_at": "2022-09-04T14:46:03.799311Z",
"structure_string": "Pr2 Ti2 Ge6\n1.0\n0.000000 0.000000 -5.934020\n-3.149039 -5.454295 0.000000\n-3.149039 5.454295 0.000000\nPr Ti Ge\n2 2 6\ndirect\n0.250000 0.666667 0.333333 Pr\n0.750000 0.333333 0.666667 Pr\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.750000 0.803102 0.196898 Ge\n0.250000 0.196898 0.803102 Ge\n0.750000 0.393795 0.196898 Ge\n0.250000 0.606205 0.803102 Ge\n0.750000 0.803102 0.606205 Ge\n0.250000 0.196898 0.393795 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Ti",
"Ge"
],
"chemical_system": "Ge-Pr-Ti",
"density": 6.626006970273571,
"density_atomic": 0.049057378386362,
"volume": 203.84293512879626,
"volume_molar": 12.275708482771599,
"formula_full": "Pr2 Ti2 Ge6",
"formula_reduced": "PrTiGe3",
"formula_anonymous": "ABC3",
"energy": -59.64108153,
"energy_per_atom": -5.964108153,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.64108153,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.437000Z",
"spacegroup": 194
},
{
"id": "mp-1094624",
"created_at": "2022-09-04T14:46:03.802631Z",
"structure_string": "Mg2 Ga4\n1.0\n1.589627 5.380646 0.000000\n-1.589627 5.380646 0.000000\n0.000000 2.411853 6.813403\nMg Ga\n2 4\ndirect\n0.811195 0.811195 0.647477 Mg\n0.188805 0.188805 0.352523 Mg\n0.134100 0.134100 0.974046 Ga\n0.526800 0.526800 0.703868 Ga\n0.473200 0.473200 0.296132 Ga\n0.865900 0.865900 0.025954 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.665941935912435,
"density_atomic": 0.051478694711657294,
"volume": 116.55307178255447,
"volume_molar": 11.698316738082118,
"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
"energy": -15.68765715,
"energy_per_atom": -2.614609525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.68765715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.076000Z",
"spacegroup": 12
},
{
"id": "mp-865987",
"created_at": "2022-09-04T14:46:03.832158Z",
"structure_string": "Li2 Ag1 Pd1\n1.0\n0.000000 3.080378 3.080378\n3.080378 0.000000 3.080378\n3.080378 3.080378 0.000000\nLi Ag Pd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Pd"
],
"chemical_system": "Ag-Li-Pd",
"density": 6.481357631935226,
"density_atomic": 0.06842549638629883,
"volume": 58.457741795804345,
"volume_molar": 8.801018740151724,
"formula_full": "Li2 Ag1 Pd1",
"formula_reduced": "Li2AgPd",
"formula_anonymous": "ABC2",
"energy": -13.19084416,
"energy_per_atom": -3.29771104,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.19084416,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002354,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.237000Z",
"spacegroup": 225
},
{
"id": "mp-1024951",
"created_at": "2022-09-04T14:46:03.857063Z",
"structure_string": "La2 Sc2 Si2\n1.0\n-2.174539 2.174539 8.102140\n2.174539 -2.174539 8.102140\n2.174539 2.174539 -8.102140\nLa Sc Si\n2 2 2\ndirect\n0.323569 0.323569 0.000000 La\n0.676431 0.676431 0.000000 La\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.118115 0.118115 0.000000 Si\n0.881885 0.881885 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Sc",
"Si"
],
"chemical_system": "La-Sc-Si",
"density": 4.593164381442955,
"density_atomic": 0.03915228502643424,
"volume": 153.24776053170362,
"volume_molar": 15.38132641794486,
"formula_full": "La2 Sc2 Si2",
"formula_reduced": "LaScSi",
"formula_anonymous": "ABC",
"energy": -36.93717505,
"energy_per_atom": -6.1561958416666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.07917505,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010087,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.661000Z",
"spacegroup": 139
},
{
"id": "mp-1229112",
"created_at": "2022-09-04T14:46:04.001472Z",
"structure_string": "Ag1 Mo12 Pb1 S16\n1.0\n7.996741 -4.648057 0.000000\n7.996741 4.648057 0.000000\n5.295086 0.000000 7.583823\nAg Mo Pb S\n1 12 1 16\ndirect\n0.000000 0.000000 0.000000 Ag\n0.183489 0.372305 0.038217 Mo\n0.684473 0.877074 0.536327 Mo\n0.372305 0.038217 0.183489 Mo\n0.877074 0.536327 0.684473 Mo\n0.038217 0.183489 0.372305 Mo\n0.536327 0.684473 0.877074 Mo\n0.315527 0.122926 0.463673 Mo\n0.816511 0.627695 0.961783 Mo\n0.122926 0.463673 0.315527 Mo\n0.627695 0.961783 0.816511 Mo\n0.463673 0.315527 0.122926 Mo\n0.961783 0.816511 0.627695 Mo\n0.500000 0.500000 0.500000 Pb\n0.115384 0.115384 0.115384 S\n0.620566 0.620566 0.620566 S\n0.379434 0.379434 0.379434 S\n0.884616 0.884616 0.884616 S\n0.240903 0.885573 0.496991 S\n0.739111 0.391383 0.994937 S\n0.885573 0.496991 0.240903 S\n0.391383 0.994937 0.739111 S\n0.496991 0.240903 0.885573 S\n0.994937 0.739111 0.391383 S\n0.260889 0.608617 0.005063 S\n0.759097 0.114427 0.503009 S\n0.608617 0.005063 0.260889 S\n0.114427 0.503009 0.759097 S\n0.005063 0.260889 0.608617 S\n0.503009 0.759097 0.114427 S\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ag",
"Mo",
"Pb",
"S"
],
"chemical_system": "Ag-Mo-Pb-S",
"density": 5.8301189397516735,
"density_atomic": 0.053213104303935534,
"volume": 563.7709055395451,
"volume_molar": 11.317025831839347,
"formula_full": "Ag1 Mo12 Pb1 S16",
"formula_reduced": "AgMo12PbS16",
"formula_anonymous": "ABC12D16",
"energy": -229.99221605,
"energy_per_atom": -7.666407201666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -221.94421605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.832000Z",
"spacegroup": 148
},
{
"id": "mp-1695",
"created_at": "2022-09-04T14:46:04.042936Z",
"structure_string": "Y8 C12\n1.0\n-4.132171 4.132171 4.132171\n4.132171 -4.132171 4.132171\n4.132171 4.132171 -4.132171\nY C\n8 12\ndirect\n0.500000 0.000000 0.601323 Y\n0.101323 0.500000 0.000000 Y\n0.398677 0.398677 0.398677 Y\n0.000000 0.101323 0.500000 Y\n0.898677 0.898677 0.898677 Y\n0.000000 0.601323 0.500000 Y\n0.601323 0.500000 0.000000 Y\n0.500000 0.000000 0.101323 Y\n0.794091 0.250000 0.044091 C\n0.955909 0.250000 0.205909 C\n0.750000 0.294091 0.544091 C\n0.205909 0.955909 0.250000 C\n0.250000 0.205909 0.955909 C\n0.294091 0.544091 0.750000 C\n0.705909 0.750000 0.455909 C\n0.044091 0.794091 0.250000 C\n0.544091 0.750000 0.294091 C\n0.750000 0.455909 0.705909 C\n0.250000 0.044091 0.794091 C\n0.455909 0.705909 0.750000 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Y",
"C"
],
"chemical_system": "C-Y",
"density": 5.032814278610675,
"density_atomic": 0.07086554769229983,
"volume": 282.22458798795367,
"volume_molar": 8.49798097398231,
"formula_full": "Y8 C12",
"formula_reduced": "Y2C3",
"formula_anonymous": "A2B3",
"energy": -167.58612106,
"energy_per_atom": -8.379306053,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.58612106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007048,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.433000Z",
"spacegroup": 220
},
{
"id": "mp-571624",
"created_at": "2022-09-04T14:46:04.050551Z",
"structure_string": "Dy12 Al8\n1.0\n8.237442 0.000000 0.000000\n0.000000 8.237442 0.000000\n0.000000 0.000000 7.611333\nDy Al\n12 8\ndirect\n0.500000 0.000000 0.250000 Dy\n0.000000 0.500000 0.750000 Dy\n0.500000 0.000000 0.750000 Dy\n0.000000 0.500000 0.250000 Dy\n0.848863 0.151137 0.500000 Dy\n0.151137 0.848863 0.500000 Dy\n0.348863 0.348863 0.000000 Dy\n0.651137 0.651137 0.000000 Dy\n0.700115 0.700115 0.500000 Dy\n0.299885 0.299885 0.500000 Dy\n0.200115 0.799885 0.000000 Dy\n0.799885 0.200115 0.000000 Dy\n0.619275 0.380725 0.302445 Al\n0.380725 0.619275 0.302445 Al\n0.119275 0.119275 0.802445 Al\n0.880725 0.880725 0.802445 Al\n0.380725 0.619275 0.697555 Al\n0.619275 0.380725 0.697555 Al\n0.880725 0.880725 0.197555 Al\n0.119275 0.119275 0.197555 Al\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Dy",
"Al"
],
"chemical_system": "Al-Dy",
"density": 6.963578462976181,
"density_atomic": 0.038724385353010246,
"volume": 516.4704311683877,
"volume_molar": 15.551288174369608,
"formula_full": "Dy12 Al8",
"formula_reduced": "Dy3Al2",
"formula_anonymous": "A2B3",
"energy": -91.62712273,
"energy_per_atom": -4.5813561365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.62712273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2013579,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.026000Z",
"spacegroup": 136
},
{
"id": "mp-696998",
"created_at": "2022-09-04T14:46:03.767566Z",
"structure_string": "K12 Bi2 H6 Cl16 F8\n1.0\n4.613582 -7.990959 0.000000\n4.613582 7.990959 0.000000\n0.000000 0.000000 14.725243\nK Bi H Cl F\n12 2 6 16 8\ndirect\n0.497563 0.995126 0.992286 K\n0.004874 0.502437 0.992286 K\n0.497563 0.502437 0.992286 K\n0.502437 0.004874 0.492286 K\n0.995126 0.497563 0.492286 K\n0.502437 0.497563 0.492286 K\n0.821247 0.642495 0.746386 K\n0.357505 0.178753 0.746386 K\n0.821247 0.178753 0.746386 K\n0.178753 0.357505 0.246386 K\n0.642495 0.821247 0.246386 K\n0.178753 0.821247 0.246386 K\n0.000000 0.000000 0.498510 Bi\n0.000000 0.000000 0.998510 Bi\n0.579703 0.159405 0.244980 H\n0.840595 0.420297 0.244980 H\n0.579703 0.420297 0.244980 H\n0.420297 0.840595 0.744980 H\n0.159405 0.579703 0.744980 H\n0.420297 0.579703 0.744980 H\n0.859378 0.718756 0.391205 Cl\n0.281244 0.140622 0.391205 Cl\n0.859378 0.140622 0.391205 Cl\n0.140622 0.281244 0.891205 Cl\n0.718756 0.859378 0.891205 Cl\n0.140622 0.859378 0.891205 Cl\n0.860603 0.721206 0.105449 Cl\n0.278794 0.139397 0.105449 Cl\n0.860603 0.139397 0.105449 Cl\n0.139397 0.278794 0.605449 Cl\n0.721206 0.860603 0.605449 Cl\n0.139397 0.860603 0.605449 Cl\n0.666667 0.333333 0.602309 Cl\n0.333333 0.666667 0.102309 Cl\n0.666667 0.333333 0.889806 Cl\n0.333333 0.666667 0.389806 Cl\n0.666667 0.333333 0.256002 F\n0.333333 0.666667 0.756002 F\n0.516795 0.033590 0.237819 F\n0.966410 0.483205 0.237819 F\n0.516795 0.483205 0.237819 F\n0.483205 0.966410 0.737819 F\n0.033590 0.516795 0.737819 F\n0.483205 0.516795 0.737819 F\n",
"nsites": 44,
"nelements": 5,
"elements": [
"K",
"Bi",
"H",
"Cl",
"F"
],
"chemical_system": "Bi-Cl-F-H-K",
"density": 2.46603105261119,
"density_atomic": 0.04052500378343941,
"volume": 1085.7494359563923,
"volume_molar": 14.86030893959091,
"formula_full": "K12 Bi2 H6 Cl16 F8",
"formula_reduced": "K6BiH3(Cl2F)4",
"formula_anonymous": "AB3C4D6E8",
"energy": -179.45716112999995,
"energy_per_atom": -4.078571843863635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.93716113,
"band_gap": 4.1881,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.08e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.268000Z",
"spacegroup": 186
},
{
"id": "mp-699208",
"created_at": "2022-09-04T14:46:03.777680Z",
"structure_string": "Al12 S18\n1.0\n6.846731 0.000000 0.000000\n3.173885 6.375483 0.000000\n2.309378 1.584307 21.868676\nAl S\n12 18\ndirect\n0.574646 0.561166 0.161257 Al\n0.610379 0.488460 0.711767 Al\n0.899624 0.759606 0.267859 Al\n0.628599 0.093449 0.109847 Al\n0.509601 0.508150 0.536867 Al\n0.181007 0.417273 0.221197 Al\n0.672058 0.036592 0.675765 Al\n0.170077 0.693398 0.732780 Al\n0.103721 0.148417 0.178071 Al\n0.437218 0.136489 0.988615 Al\n0.668851 0.270795 0.330318 Al\n0.993940 0.600390 0.601637 Al\n0.483965 0.857660 0.651891 S\n0.495922 0.368460 0.634796 S\n0.880037 0.985473 0.182424 S\n0.762788 0.052931 0.014270 S\n0.457146 0.518550 0.261843 S\n0.974303 0.417504 0.693541 S\n0.133944 0.258124 0.956372 S\n0.644606 0.495827 0.393976 S\n0.776788 0.935027 0.351343 S\n0.372550 0.433868 0.121971 S\n0.181570 0.570867 0.510977 S\n0.911325 0.461311 0.124323 S\n0.656746 0.130978 0.771803 S\n0.632576 0.767303 0.564498 S\n0.018831 0.878508 0.639918 S\n0.413445 0.915695 0.125727 S\n0.797192 0.333223 0.474182 S\n0.956548 0.904506 0.806044 S\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Al",
"S"
],
"chemical_system": "Al-S",
"density": 1.5672208424306977,
"density_atomic": 0.03142696248638772,
"volume": 954.5943236796813,
"volume_molar": 19.16233795298681,
"formula_full": "Al12 S18",
"formula_reduced": "Al2S3",
"formula_anonymous": "A2B3",
"energy": -145.31096921,
"energy_per_atom": -4.843698973666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.25696921,
"band_gap": 1.0251,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056047,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.482000Z",
"spacegroup": 1
},
{
"id": "mp-766009",
"created_at": "2022-09-04T14:46:04.001743Z",
"structure_string": "Y11 Tm5 O24\n1.0\n9.198471 0.000000 0.000000\n-3.064396 8.672535 0.000000\n-3.063828 -4.327974 7.515728\nY Tm O\n11 5 24\ndirect\n0.750261 0.782304 0.032564 Y\n0.497583 0.999492 0.999387 Y\n0.034096 0.249527 0.281851 Y\n0.218305 0.467323 0.751340 Y\n0.718185 0.967884 0.749186 Y\n0.001595 0.999976 0.501246 Y\n0.250463 0.719234 0.466987 Y\n0.000508 0.501324 0.999825 Y\n0.748654 0.282021 0.532507 Y\n0.500282 0.499206 0.498581 Y\n0.780246 0.532029 0.249506 Y\n0.465837 0.749758 0.216074 Tm\n0.283355 0.032741 0.249060 Tm\n0.531902 0.249562 0.782468 Tm\n0.968096 0.751250 0.718653 Tm\n0.250495 0.216312 0.966950 Tm\n0.273188 0.512097 0.543046 O\n0.468002 0.729585 0.959882 O\n0.726771 0.761729 0.272186 O\n0.225878 0.957316 0.968471 O\n0.012018 0.546061 0.772043 O\n0.511080 0.739700 0.465175 O\n0.230152 0.773243 0.237831 O\n0.034924 0.987763 0.260617 O\n0.742442 0.728580 0.770223 O\n0.957492 0.227535 0.488799 O\n0.242411 0.468219 0.014327 O\n0.457709 0.971890 0.728885 O\n0.756142 0.527628 0.985395 O\n0.041716 0.770878 0.514221 O\n0.539165 0.028923 0.270275 O\n0.262311 0.269093 0.226465 O\n0.770460 0.230332 0.761495 O\n0.972487 0.012665 0.743016 O\n0.989036 0.458192 0.228238 O\n0.484621 0.256348 0.530634 O\n0.273635 0.238940 0.731054 O\n0.770335 0.042465 0.031453 O\n0.730138 0.490742 0.459847 O\n0.528023 0.270131 0.040239 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Y",
"Tm",
"O"
],
"chemical_system": "O-Tm-Y",
"density": 6.111447501792335,
"density_atomic": 0.06671557483747768,
"volume": 599.5601491472104,
"volume_molar": 9.026589030627736,
"formula_full": "Y11 Tm5 O24",
"formula_reduced": "Y11Tm5O24",
"formula_anonymous": "A5B11C24",
"energy": -372.50322964,
"energy_per_atom": -9.312580741,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -356.01522964,
"band_gap": 4.0603,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007874,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.789000Z",
"spacegroup": 1
},
{
"id": "mp-504810",
"created_at": "2022-09-04T14:46:04.042961Z",
"structure_string": "Rb2 Li14 Pb3 O14\n1.0\n-3.692046 4.049520 6.523851\n3.692046 -4.049520 6.523851\n3.692046 4.049520 -6.523851\nRb Li Pb O\n2 14 3 14\ndirect\n0.500000 0.234579 0.734579 Rb\n0.500000 0.765421 0.265421 Rb\n0.842039 0.500000 0.342039 Li\n0.157961 0.500000 0.657961 Li\n0.415234 0.769583 0.645652 Li\n0.584766 0.230417 0.354348 Li\n0.876069 0.230417 0.645652 Li\n0.123931 0.769583 0.354348 Li\n0.708636 0.593386 0.571858 Li\n0.291364 0.863221 0.884750 Li\n0.978472 0.406614 0.115250 Li\n0.021528 0.136779 0.428142 Li\n0.291364 0.406614 0.428142 Li\n0.708636 0.136779 0.115250 Li\n0.021528 0.593386 0.884750 Li\n0.978472 0.863221 0.571858 Li\n0.728370 0.728370 0.000000 Pb\n0.271630 0.271630 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.749115 0.040784 0.291668 O\n0.250885 0.542553 0.291668 O\n0.250885 0.959216 0.708332 O\n0.749115 0.457447 0.708332 O\n0.000000 0.705105 0.705105 O\n0.000000 0.294895 0.294895 O\n0.686243 0.872910 0.813332 O\n0.313757 0.127090 0.186668 O\n0.940422 0.127090 0.813332 O\n0.059578 0.872910 0.186668 O\n0.411164 0.629258 0.781907 O\n0.588836 0.370742 0.218093 O\n0.152649 0.370742 0.781907 O\n0.847351 0.629258 0.218093 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Pb",
"O"
],
"chemical_system": "Li-O-Pb-Rb",
"density": 4.740052028277017,
"density_atomic": 0.08458225578079533,
"volume": 390.15275361682603,
"volume_molar": 7.119863030854927,
"formula_full": "Rb2 Li14 Pb3 O14",
"formula_reduced": "Rb2Li14Pb3O14",
"formula_anonymous": "A2B3C14D14",
"energy": -172.06390254,
"energy_per_atom": -5.214057652727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.44590254,
"band_gap": 1.9342,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003875,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.864000Z",
"spacegroup": 71
},
{
"id": "mp-1215767",
"created_at": "2022-09-04T14:46:05.636248Z",
"structure_string": "Yb4 Al4 Ni4\n1.0\n-2.704623 -4.675815 0.000000\n-2.586600 4.607793 0.000000\n0.000000 0.000000 -8.528823\nYb Al Ni\n4 4 4\ndirect\n0.660313 0.320355 0.541706 Yb\n0.327070 0.654060 0.428290 Yb\n0.327070 0.654060 0.071710 Yb\n0.660313 0.320355 0.958294 Yb\n0.163525 0.327174 0.750000 Al\n0.160304 0.832461 0.750000 Al\n0.672252 0.832526 0.750000 Al\n0.856138 0.712361 0.250000 Al\n0.834180 0.177808 0.250000 Ni\n0.342759 0.176904 0.250000 Ni\n0.998037 0.995968 0.506929 Ni\n0.998037 0.995968 0.993071 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Yb",
"density": 8.204830510616382,
"density_atomic": 0.05729546720185,
"volume": 209.44065187084354,
"volume_molar": 10.51067572026981,
"formula_full": "Yb4 Al4 Ni4",
"formula_reduced": "YbAlNi",
"formula_anonymous": "ABC",
"energy": -49.12983535000001,
"energy_per_atom": -4.094152945833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.12983535000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.315000Z",
"spacegroup": 38
}
]
}