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=-formation_energy&page=12155",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=12153",
"results": [
{
"id": "mp-1519400",
"created_at": "2022-09-04T14:43:10.827833Z",
"structure_string": "Ba1 Sr1 Nd1 Bi1 O6\n1.0\n0.000000 -4.409387 -4.409387\n4.409387 -0.000000 -4.409387\n4.409387 -4.409387 0.000000\nBa Sr Nd Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Nd\n-0.000000 0.000000 0.000000 Bi\n0.759933 0.240067 0.240067 O\n0.240067 0.759933 0.759933 O\n0.759933 0.240067 0.759933 O\n0.240067 0.759933 0.240067 O\n0.759933 0.759933 0.240067 O\n0.240067 0.240067 0.759933 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Nd",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Nd-O-Sr",
"density": 6.529067627347044,
"density_atomic": 0.05832239531734021,
"volume": 171.460721830587,
"volume_molar": 10.325606016749997,
"formula_full": "Ba1 Sr1 Nd1 Bi1 O6",
"formula_reduced": "BaSrNdBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.89664698,
"energy_per_atom": -6.889664698,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.77464698,
"band_gap": 2.0013,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.775000Z",
"spacegroup": 216
},
{
"id": "mp-1041295",
"created_at": "2022-09-04T14:43:10.830187Z",
"structure_string": "Ho2 W4 O12\n1.0\n7.869200 0.000000 0.000000\n0.000000 5.410065 0.000000\n0.000000 0.001753 5.653343\nHo W O\n2 4 12\ndirect\n0.500000 0.984396 0.072147 Ho\n0.000000 0.476645 0.431116 Ho\n0.249421 0.994936 0.509623 W\n0.750579 0.994936 0.509623 W\n0.750476 0.497474 0.987553 W\n0.249524 0.497474 0.987553 W\n0.000000 0.877055 0.525235 O\n0.307083 0.831837 0.801597 O\n0.692917 0.831837 0.801597 O\n0.293510 0.713260 0.282428 O\n0.706490 0.713260 0.282428 O\n0.000000 0.570236 0.041334 O\n0.500000 0.382831 0.976753 O\n0.808895 0.315746 0.685765 O\n0.191105 0.315746 0.685765 O\n0.208108 0.200955 0.230610 O\n0.791892 0.200955 0.230610 O\n0.500000 0.076060 0.460044 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ho",
"W",
"O"
],
"chemical_system": "Ho-O-W",
"density": 8.674005844982425,
"density_atomic": 0.07478837603364902,
"volume": 240.6791129132338,
"volume_molar": 8.05224164419682,
"formula_full": "Ho2 W4 O12",
"formula_reduced": "Ho(WO3)2",
"formula_anonymous": "AB2C6",
"energy": -166.45424639,
"energy_per_atom": -9.247458132777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.45824639,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.99983,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.660000Z",
"spacegroup": 6
},
{
"id": "mp-773427",
"created_at": "2022-09-04T14:43:10.833077Z",
"structure_string": "Li4 Mn3 Cu1 O8\n1.0\n10.276635 -0.031948 -0.019545\n8.572534 5.667618 -0.019545\n13.710852 4.099377 2.507948\nLi Mn Cu O\n4 3 1 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.247795 O\n0.000000 0.475489 0.276567 O\n0.475489 0.000000 0.276567 O\n0.000000 0.000000 0.752205 O\n0.524511 0.524511 0.227545 O\n0.000000 0.524511 0.723433 O\n0.524511 0.000000 0.723433 O\n0.475489 0.475489 0.772455 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.297459045568815,
"density_atomic": 0.10779942974417238,
"volume": 148.4237907192172,
"volume_molar": 5.586430999024423,
"formula_full": "Li4 Mn3 Cu1 O8",
"formula_reduced": "Li4Mn3CuO8",
"formula_anonymous": "AB3C4D8",
"energy": -109.65022611,
"energy_per_atom": -6.853139131875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.15022611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.324657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.253000Z",
"spacegroup": 166
},
{
"id": "mp-754123",
"created_at": "2022-09-04T14:43:10.836147Z",
"structure_string": "Li4 Fe1 Co3 O8\n1.0\n5.079822 0.000000 0.000000\n0.030683 5.540239 0.000000\n0.003609 0.030351 6.406773\nLi Fe Co O\n4 1 3 8\ndirect\n0.997164 0.082608 0.623466 Li\n0.495356 0.417371 0.125069 Li\n0.996351 0.581407 0.875324 Li\n0.495991 0.917976 0.375328 Li\n0.497758 0.921761 0.874177 Fe\n0.999728 0.081119 0.128831 Co\n0.494284 0.418477 0.626183 Co\n0.997211 0.579246 0.374724 Co\n0.370599 0.076700 0.118589 O\n0.393461 0.095298 0.629371 O\n0.896401 0.404644 0.136998 O\n0.866445 0.424612 0.613003 O\n0.367732 0.576543 0.385862 O\n0.390462 0.591855 0.861302 O\n0.893350 0.903850 0.363562 O\n0.874106 0.926532 0.888210 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 3.5769775919848117,
"density_atomic": 0.08873677711144866,
"volume": 180.30855436528705,
"volume_molar": 6.786521841374195,
"formula_full": "Li4 Fe1 Co3 O8",
"formula_reduced": "Li4FeCo3O8",
"formula_anonymous": "AB3C4D8",
"energy": -103.88962193,
"energy_per_atom": -6.493101370625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.22362193,
"band_gap": 0.9078,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.9965725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.729000Z",
"spacegroup": 1
},
{
"id": "mp-1987603",
"created_at": "2022-09-04T14:43:10.912759Z",
"structure_string": "U16\n1.0\n0.000000 -5.026972 -5.404560\n0.000000 -5.026972 5.404560\n-16.320594 0.000000 0.000000\nU\n16\ndirect\n0.631180 0.368820 0.750000 U\n0.868820 0.131180 0.250000 U\n0.368820 0.631180 0.250000 U\n0.131180 0.868820 0.750000 U\n0.881400 0.118600 0.750000 U\n0.618600 0.381400 0.250000 U\n0.118600 0.881400 0.250000 U\n0.381400 0.618600 0.750000 U\n0.005050 0.494950 0.764628 U\n0.505050 0.994950 0.735372 U\n0.494950 0.005050 0.264628 U\n0.994950 0.505050 0.235372 U\n0.756727 0.743273 0.738059 U\n0.256727 0.243273 0.761941 U\n0.743273 0.756727 0.238059 U\n0.243273 0.256727 0.261941 U\n",
"nsites": 16,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 7.131255919832763,
"density_atomic": 0.01804210545670994,
"volume": 886.814459564614,
"volume_molar": 33.37825939688396,
"formula_full": "U16",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -154.020113,
"energy_per_atom": -9.6262570625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.020113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.3871001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.540000Z",
"spacegroup": 64
},
{
"id": "mp-4320",
"created_at": "2022-09-04T14:43:10.839248Z",
"structure_string": "Cu8 Te8 O24\n1.0\n6.016914 0.000000 0.000000\n0.000000 7.677819 0.000000\n0.000000 0.000000 12.882924\nCu Te O\n8 8 24\ndirect\n0.350013 0.955375 0.095268 Cu\n0.850013 0.044625 0.404732 Cu\n0.649987 0.455375 0.904732 Cu\n0.149987 0.544625 0.595268 Cu\n0.649987 0.044625 0.904732 Cu\n0.149987 0.955375 0.595268 Cu\n0.350013 0.544625 0.095268 Cu\n0.850013 0.455375 0.404732 Cu\n0.586004 0.250000 0.655973 Te\n0.086004 0.750000 0.844027 Te\n0.413996 0.750000 0.344027 Te\n0.913996 0.250000 0.155973 Te\n0.679183 0.750000 0.611225 Te\n0.179183 0.250000 0.888775 Te\n0.320817 0.250000 0.388775 Te\n0.820817 0.750000 0.111225 Te\n0.943399 0.250000 0.989947 O\n0.443399 0.750000 0.510053 O\n0.056601 0.750000 0.010053 O\n0.556601 0.250000 0.489947 O\n0.575789 0.250000 0.819006 O\n0.075789 0.750000 0.680994 O\n0.424211 0.750000 0.180994 O\n0.924211 0.250000 0.319006 O\n0.097229 0.046960 0.168033 O\n0.597229 0.953040 0.331967 O\n0.902771 0.546960 0.831967 O\n0.402771 0.453040 0.668033 O\n0.902771 0.953040 0.831967 O\n0.402771 0.046960 0.668033 O\n0.097229 0.453040 0.168033 O\n0.597229 0.546960 0.331967 O\n0.654042 0.568771 0.041605 O\n0.154042 0.431229 0.458395 O\n0.345958 0.068771 0.958395 O\n0.845958 0.931229 0.541605 O\n0.345958 0.431229 0.958395 O\n0.845958 0.568771 0.541605 O\n0.654042 0.931229 0.041605 O\n0.154042 0.068771 0.458395 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-O-Te",
"density": 5.337929310609811,
"density_atomic": 0.06720999649276656,
"volume": 595.1495623765578,
"volume_molar": 8.960186094710078,
"formula_full": "Cu8 Te8 O24",
"formula_reduced": "CuTeO3",
"formula_anonymous": "ABC3",
"energy": -225.86356369,
"energy_per_atom": -5.64658909225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.37556369,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001421,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.210000Z",
"spacegroup": 62
},
{
"id": "mp-753061",
"created_at": "2022-09-04T14:43:10.847436Z",
"structure_string": "Ti2 Co6 O16\n1.0\n1.629749 -5.518649 -0.000018\n1.626522 -2.519650 -4.909044\n9.116388 2.691240 5.017147\nTi Co O\n2 6 16\ndirect\n0.000009 0.999992 0.999996 Ti\n0.499991 0.999983 0.499989 Ti\n0.000021 0.999968 0.500012 Co\n0.500004 0.500009 0.999998 Co\n0.000010 0.500013 0.500006 Co\n0.999989 0.500007 0.999999 Co\n0.499975 0.500019 0.500006 Co\n0.500007 0.999985 0.000002 Co\n0.635736 0.728609 0.092834 O\n0.135610 0.728615 0.592865 O\n0.864386 0.271390 0.407127 O\n0.364266 0.271390 0.907153 O\n0.141687 0.235234 0.093434 O\n0.642252 0.235065 0.592900 O\n0.142487 0.714918 0.092894 O\n0.642526 0.714944 0.592928 O\n0.622633 0.235053 0.092871 O\n0.123016 0.235250 0.593466 O\n0.876975 0.764759 0.406541 O\n0.377365 0.764951 0.907126 O\n0.357476 0.285053 0.407081 O\n0.857517 0.285078 0.907101 O\n0.357745 0.764946 0.407110 O\n0.858315 0.764769 0.906562 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"Co",
"O"
],
"chemical_system": "Co-O-Ti",
"density": 3.998174102578595,
"density_atomic": 0.08192858402404675,
"volume": 292.93805435421405,
"volume_molar": 7.3504758220066995,
"formula_full": "Ti2 Co6 O16",
"formula_reduced": "TiCo3O8",
"formula_anonymous": "AB3C8",
"energy": -176.01146857999998,
"energy_per_atom": -7.333811190833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.19146858,
"band_gap": 1.1234,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.545000Z",
"spacegroup": 166
},
{
"id": "mp-1094741",
"created_at": "2022-09-04T14:43:10.856488Z",
"structure_string": "Mg1 Zn3\n1.0\n2.901596 0.000000 0.000000\n0.000000 4.675775 0.000000\n0.000000 0.000000 4.882362\nMg Zn\n1 3\ndirect\n0.000000 0.500000 0.335325 Mg\n0.000000 0.000000 0.996746 Zn\n0.500000 0.000000 0.503607 Zn\n0.500000 0.500000 0.830988 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.5284092926694335,
"density_atomic": 0.060386445415364046,
"volume": 66.24003073017914,
"volume_molar": 9.97266972509661,
"formula_full": "Mg1 Zn3",
"formula_reduced": "MgZn3",
"formula_anonymous": "AB3",
"energy": -5.46233419,
"energy_per_atom": -1.3655835475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.46233419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009534,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.163000Z",
"spacegroup": 25
},
{
"id": "mp-757631",
"created_at": "2022-09-04T14:43:10.858390Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n-9.813776 -0.014674 0.014609\n-4.894110 8.504554 0.023387\n0.020845 -0.025527 -13.901734\nLi V P O\n12 6 16 58\ndirect\n0.915179 0.774327 0.061344 Li\n0.905497 0.330572 0.557822 Li\n0.663930 0.669877 0.885364 Li\n0.772625 0.317933 0.063458 Li\n0.318174 0.908049 0.062299 Li\n0.669303 0.232023 0.436031 Li\n0.333849 0.765977 0.558794 Li\n0.681691 0.090221 0.940809 Li\n0.334781 0.327673 0.613918 Li\n0.094280 0.671638 0.437201 Li\n0.093662 0.224021 0.943129 Li\n0.999656 0.000116 0.495072 Li\n0.564276 0.433857 0.247914 V\n0.430835 0.567334 0.754932 V\n0.568042 0.996135 0.744673 V\n0.430616 0.002936 0.255590 V\n0.999447 0.568145 0.249864 V\n0.000173 0.436677 0.749861 V\n0.910532 0.772119 0.843111 P\n0.775128 0.915134 0.342435 P\n0.909675 0.316432 0.342882 P\n0.665995 0.667608 0.127377 P\n0.665652 0.663772 0.627268 P\n0.770416 0.320419 0.843288 P\n0.682641 0.228494 0.657114 P\n0.319805 0.911844 0.844435 P\n0.679656 0.085178 0.157270 P\n0.316445 0.771113 0.342452 P\n0.229888 0.684456 0.157473 P\n0.332824 0.335210 0.373615 P\n0.334936 0.329687 0.872130 P\n0.090066 0.685553 0.656251 P\n0.223169 0.087158 0.656932 P\n0.087667 0.230818 0.160259 P\n0.009035 0.766650 0.565204 O\n0.919589 0.745269 0.339189 O\n0.754639 0.997844 0.065549 O\n0.746148 0.921187 0.840093 O\n0.887299 0.626841 0.825037 O\n0.815527 0.672520 0.165009 O\n0.905468 0.472404 0.328290 O\n0.996731 0.246525 0.069253 O\n0.920889 0.332769 0.845049 O\n0.662871 0.812997 0.672516 O\n0.623427 0.909790 0.331774 O\n0.818078 0.515303 0.669148 O\n0.668361 0.664827 0.018580 O\n0.666443 0.660091 0.520475 O\n0.673619 0.512126 0.164466 O\n0.485430 0.892096 0.828083 O\n0.514920 0.814109 0.165864 O\n0.740860 0.339029 0.335373 O\n0.788208 0.214087 0.750649 O\n0.770983 0.231440 0.568722 O\n0.751622 0.244587 0.932302 O\n0.628170 0.487620 0.826921 O\n0.517300 0.663536 0.669789 O\n0.661557 0.251024 0.157246 O\n0.472254 0.619236 0.329821 O\n0.341378 0.914166 0.335628 O\n0.796090 0.994181 0.244791 O\n0.789719 0.005314 0.425699 O\n0.220642 0.990017 0.574421 O\n0.660221 0.085811 0.659184 O\n0.520493 0.378858 0.668639 O\n0.337912 0.747802 0.841182 O\n0.487847 0.325675 0.334867 O\n0.380675 0.523710 0.176672 O\n0.242362 0.767105 0.071911 O\n0.227958 0.777336 0.433284 O\n0.203590 0.789183 0.253800 O\n0.256314 0.666049 0.660172 O\n0.479773 0.180068 0.827440 O\n0.522001 0.093524 0.177810 O\n0.340405 0.473893 0.826396 O\n0.335312 0.326209 0.978769 O\n0.336712 0.337162 0.482197 O\n0.186808 0.491092 0.337286 O\n0.372383 0.104038 0.666776 O\n0.323773 0.193933 0.330349 O\n0.084443 0.662588 0.157880 O\n0.000006 0.787545 0.749842 O\n0.996886 0.757155 0.934028 O\n0.106689 0.519461 0.669678 O\n0.180763 0.336702 0.829251 O\n0.096782 0.381789 0.179123 O\n0.252003 0.084724 0.159154 O\n0.244525 0.003403 0.934626 O\n0.208462 0.008684 0.755617 O\n0.078432 0.254395 0.656336 O\n0.984330 0.229119 0.433865 O\n0.999476 0.206708 0.250448 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5917680859812986,
"density_atomic": 0.07922461057314815,
"volume": 1161.2553136510064,
"volume_molar": 7.601351040330772,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -695.4458540300001,
"energy_per_atom": -7.559194065543479,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -645.39985403,
"band_gap": 0.9566,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9994274,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.104000Z",
"spacegroup": 1
},
{
"id": "mp-1200898",
"created_at": "2022-09-04T14:43:10.883277Z",
"structure_string": "Sm6 Sn26 Ir8\n1.0\n9.804175 0.000000 0.000000\n0.000000 9.804175 0.000000\n0.000000 0.000000 9.804175\nSm Sn Ir\n6 26 8\ndirect\n0.500000 0.000000 0.750000 Sm\n0.000000 0.250000 0.500000 Sm\n0.750000 0.500000 0.000000 Sm\n0.500000 0.000000 0.250000 Sm\n0.000000 0.750000 0.500000 Sm\n0.250000 0.500000 0.000000 Sm\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.651969 0.193972 0.500000 Sn\n0.806028 0.500000 0.651969 Sn\n0.500000 0.348031 0.806028 Sn\n0.348031 0.806028 0.500000 Sn\n0.193972 0.500000 0.348031 Sn\n0.500000 0.651969 0.193972 Sn\n0.651969 0.806028 0.500000 Sn\n0.806028 0.500000 0.348031 Sn\n0.348031 0.193972 0.500000 Sn\n0.193972 0.500000 0.651969 Sn\n0.500000 0.651969 0.806028 Sn\n0.500000 0.348031 0.193972 Sn\n0.151969 0.000000 0.693972 Sn\n0.306028 0.151969 0.000000 Sn\n0.000000 0.306028 0.848031 Sn\n0.848031 0.000000 0.306028 Sn\n0.693972 0.848031 0.000000 Sn\n0.000000 0.693972 0.151969 Sn\n0.151969 0.000000 0.306028 Sn\n0.306028 0.848031 0.000000 Sn\n0.848031 0.000000 0.693972 Sn\n0.693972 0.151969 0.000000 Sn\n0.000000 0.306028 0.151969 Sn\n0.000000 0.693972 0.848031 Sn\n0.750000 0.250000 0.750000 Ir\n0.250000 0.750000 0.250000 Ir\n0.750000 0.750000 0.250000 Ir\n0.250000 0.250000 0.750000 Ir\n0.250000 0.750000 0.750000 Ir\n0.750000 0.250000 0.250000 Ir\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sm",
"Sn",
"Ir"
],
"chemical_system": "Ir-Sm-Sn",
"density": 9.737664150480848,
"density_atomic": 0.042445028302966196,
"volume": 942.395413533148,
"volume_molar": 14.188094579687567,
"formula_full": "Sm6 Sn26 Ir8",
"formula_reduced": "Sm3Sn13Ir4",
"formula_anonymous": "A3B4C13",
"energy": -222.98080317,
"energy_per_atom": -5.57452007925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.98080317,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001983,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.586000Z",
"spacegroup": 223
},
{
"id": "mp-30457",
"created_at": "2022-09-04T14:43:10.888811Z",
"structure_string": "Lu1 Ni1 Bi1\n1.0\n0.000000 3.200931 3.200931\n3.200931 0.000000 3.200931\n3.200931 3.200931 0.000000\nLu Ni Bi\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Bi"
],
"chemical_system": "Bi-Lu-Ni",
"density": 11.205767475851676,
"density_atomic": 0.04573643623908773,
"volume": 65.59321728342512,
"volume_molar": 13.16705291273503,
"formula_full": "Lu1 Ni1 Bi1",
"formula_reduced": "LuNiBi",
"formula_anonymous": "ABC",
"energy": -16.09808105,
"energy_per_atom": -5.366027016666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.09808105,
"band_gap": 0.0126999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.475000Z",
"spacegroup": 216
},
{
"id": "mp-644500",
"created_at": "2022-09-04T14:43:10.892128Z",
"structure_string": "Zn7 Mo1\n1.0\n0.000000 3.909590 3.909590\n3.909590 0.000000 3.909590\n3.909590 3.909590 0.000000\nZn Mo\n7 1\ndirect\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Mo"
],
"chemical_system": "Mo-Zn",
"density": 7.6945063128326,
"density_atomic": 0.0669370156688927,
"volume": 119.51533721748817,
"volume_molar": 8.996727296282256,
"formula_full": "Zn7 Mo1",
"formula_reduced": "Zn7Mo",
"formula_anonymous": "AB7",
"energy": -19.86657418,
"energy_per_atom": -2.4833217725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.86657418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0083127,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.820000Z",
"spacegroup": 225
}
]
}