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=62",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=60",
"results": [
{
"id": "mp-32108",
"created_at": "2022-09-04T14:39:09.606185Z",
"structure_string": "Mo4 P6 O22\n1.0\n4.458862 6.070528 0.000000\n-4.458862 6.070528 0.000000\n0.000000 3.776984 8.300981\nMo P O\n4 6 22\ndirect\n0.359812 0.883163 0.706832 Mo\n0.631367 0.114561 0.794166 Mo\n0.116837 0.640188 0.293168 Mo\n0.885439 0.368633 0.205834 Mo\n0.543127 0.672193 0.034468 P\n0.327807 0.456873 0.965532 P\n0.671308 0.542663 0.539870 P\n0.457337 0.328692 0.460130 P\n0.038102 0.961898 0.500000 P\n0.961003 0.038997 0.000000 P\n0.050347 0.766483 0.466210 O\n0.522620 0.841106 0.878056 O\n0.158894 0.477380 0.121944 O\n0.616919 0.283744 0.315846 O\n0.282075 0.617781 0.820072 O\n0.841863 0.537305 0.384739 O\n0.133620 0.007001 0.851461 O\n0.022306 0.124240 0.350308 O\n0.607712 0.743578 0.568565 O\n0.382219 0.717925 0.179928 O\n0.716256 0.383081 0.684154 O\n0.256422 0.392288 0.431435 O\n0.233517 0.949653 0.533790 O\n0.960088 0.227680 0.027520 O\n0.772320 0.039912 0.972480 O\n0.492418 0.507582 0.500000 O\n0.743217 0.621656 0.055665 O\n0.992999 0.866380 0.148539 O\n0.462695 0.158136 0.615261 O\n0.378344 0.256783 0.944335 O\n0.875760 0.977694 0.649692 O\n0.509881 0.490119 0.000000 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P",
"density": 3.405466730101977,
"density_atomic": 0.07120984901030993,
"volume": 449.37604060032436,
"volume_molar": 8.456893033333213,
"formula_full": "Mo4 P6 O22",
"formula_reduced": "Mo2P3O11",
"formula_anonymous": "A2B3C11",
"energy": -263.3898176,
"energy_per_atom": -8.2309318,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -235.4678176,
"band_gap": 1.1251,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.999902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.852000Z",
"spacegroup": 5
},
{
"id": "mp-780883",
"created_at": "2022-09-04T14:39:09.996596Z",
"structure_string": "Mn6 O4 F8\n1.0\n3.604803 4.555221 0.000000\n-3.604803 4.555221 0.000000\n0.000000 2.444375 6.711967\nMn O F\n6 4 8\ndirect\n0.667188 0.667188 0.836087 Mn\n0.349412 0.349412 0.670491 Mn\n0.650588 0.650588 0.329509 Mn\n0.332812 0.332812 0.163913 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.570659 0.570659 0.627259 O\n0.241058 0.241058 0.960731 O\n0.758942 0.758942 0.039269 O\n0.429341 0.429341 0.372741 O\n0.639824 0.021762 0.673071 F\n0.978238 0.360176 0.326929 F\n0.878843 0.878843 0.305243 F\n0.121157 0.121157 0.694757 F\n0.360176 0.978238 0.326929 F\n0.021762 0.639824 0.673071 F\n0.692573 0.307427 0.000000 F\n0.307427 0.692573 0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.110201250208926,
"density_atomic": 0.08165855849122683,
"volume": 220.43004839393376,
"volume_molar": 7.374782106454894,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -135.56585235,
"energy_per_atom": -7.5314362416666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.11385235,
"band_gap": 0.1108,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0010237,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.389000Z",
"spacegroup": 12
},
{
"id": "mp-32023",
"created_at": "2022-09-04T14:39:09.997228Z",
"structure_string": "Li2 Mn4 P6 O24\n1.0\n2.604296 3.947644 0.000000\n-2.604296 3.947644 0.000000\n0.000000 0.680959 19.289691\nLi Mn P O\n2 4 6 24\ndirect\n0.998529 0.998529 0.838187 Li\n0.001471 0.001471 0.161813 Li\n0.001159 0.001159 0.331285 Mn\n0.998841 0.998841 0.668715 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.343964 0.343964 0.412538 P\n0.656036 0.656036 0.587462 P\n0.346810 0.346810 0.745156 P\n0.653190 0.653190 0.254844 P\n0.649669 0.649669 0.922857 P\n0.350331 0.350331 0.077143 P\n0.767752 0.767752 0.318378 O\n0.289877 0.774840 0.927638 O\n0.775518 0.292839 0.261293 O\n0.257602 0.257602 0.815665 O\n0.782610 0.293740 0.588040 O\n0.240384 0.240384 0.481308 O\n0.762522 0.762522 0.651403 O\n0.237478 0.237478 0.348597 O\n0.759616 0.759616 0.518692 O\n0.225160 0.710123 0.072362 O\n0.259887 0.259887 0.148224 O\n0.293740 0.782610 0.588040 O\n0.765101 0.765101 0.985433 O\n0.234899 0.234899 0.014567 O\n0.707161 0.224482 0.738707 O\n0.232248 0.232248 0.681622 O\n0.706260 0.217390 0.411960 O\n0.742398 0.742398 0.184335 O\n0.740113 0.740113 0.851776 O\n0.224482 0.707161 0.738707 O\n0.217390 0.706260 0.411960 O\n0.710123 0.225160 0.072362 O\n0.292839 0.775518 0.261293 O\n0.774840 0.289877 0.927638 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.3638067518692885,
"density_atomic": 0.090765103978767,
"volume": 396.62820205022416,
"volume_molar": 6.634863505922697,
"formula_full": "Li2 Mn4 P6 O24",
"formula_reduced": "LiMn2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -275.23975381,
"energy_per_atom": -7.645548716944445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -252.07975381,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.6738012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.500000Z",
"spacegroup": 12
},
{
"id": "mp-1046049",
"created_at": "2022-09-04T14:39:10.008255Z",
"structure_string": "Ta4 Te2 O16\n1.0\n3.054905 9.973701 0.000000\n-3.054905 9.973701 0.000000\n0.000000 0.343056 5.249555\nTa Te O\n4 2 16\ndirect\n0.695545 0.038746 0.236577 Ta\n0.961254 0.304455 0.263423 Ta\n0.304455 0.961254 0.763423 Ta\n0.038746 0.695545 0.736577 Ta\n0.353229 0.646771 0.250000 Te\n0.646771 0.353229 0.750000 Te\n0.794306 0.089831 0.917764 O\n0.910169 0.205694 0.582236 O\n0.205694 0.910169 0.082236 O\n0.089831 0.794306 0.417764 O\n0.555149 0.340206 0.432336 O\n0.659794 0.444851 0.067664 O\n0.444851 0.659794 0.567664 O\n0.340206 0.555149 0.932336 O\n0.756412 0.915317 0.569488 O\n0.084683 0.243588 0.930512 O\n0.203610 0.427618 0.650386 O\n0.572382 0.796390 0.849614 O\n0.796390 0.572382 0.349614 O\n0.427618 0.203610 0.150386 O\n0.915317 0.756412 0.069488 O\n0.243588 0.084683 0.430512 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Te",
"O"
],
"chemical_system": "O-Ta-Te",
"density": 6.410666103725323,
"density_atomic": 0.06877271048772869,
"volume": 319.894327909695,
"volume_molar": 8.756584868171727,
"formula_full": "Ta4 Te2 O16",
"formula_reduced": "Ta2TeO8",
"formula_anonymous": "AB2C8",
"energy": -184.83966889,
"energy_per_atom": -8.401803131363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.84766889,
"band_gap": 0.2485999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.816000Z",
"spacegroup": 15
},
{
"id": "mp-555855",
"created_at": "2022-09-04T14:39:10.020051Z",
"structure_string": "Sr2 Ca1 Cu2 Bi2 O8\n1.0\n-1.876228 1.876228 15.908390\n1.876228 -1.876228 15.908390\n1.876228 1.876228 -15.908390\nSr Ca Cu Bi O\n2 1 2 2 8\ndirect\n0.892123 0.892123 0.000000 Sr\n0.107877 0.107877 0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n0.548042 0.548042 0.000000 Cu\n0.451958 0.451958 0.000000 Cu\n0.301934 0.301934 0.000000 Bi\n0.698066 0.698066 0.000000 Bi\n0.197047 0.197047 0.000000 O\n0.449664 0.949664 0.500000 O\n0.550337 0.050337 0.500000 O\n0.802953 0.802953 0.000000 O\n0.366928 0.366928 0.000000 O\n0.633072 0.633072 0.000000 O\n0.949664 0.449664 0.500000 O\n0.050337 0.550337 0.500000 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Cu",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Cu-O-Sr",
"density": 6.585421537245504,
"density_atomic": 0.0669628319998735,
"volume": 224.00486287719036,
"volume_molar": 8.99325876780626,
"formula_full": "Sr2 Ca1 Cu2 Bi2 O8",
"formula_reduced": "Sr2CaCu2(BiO4)2",
"formula_anonymous": "AB2C2D2E8",
"energy": -91.45408612,
"energy_per_atom": -6.0969390746666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.95808612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006279,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.095000Z",
"spacegroup": 139
},
{
"id": "mp-998418",
"created_at": "2022-09-04T14:39:10.030745Z",
"structure_string": "Mg2 Ag2 F6\n1.0\n4.877713 -2.807206 0.000000\n4.877713 2.807206 0.000000\n3.262119 0.000000 4.585964\nMg Ag F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.810939 0.250000 0.689061 F\n0.689061 0.810939 0.250000 F\n0.250000 0.689061 0.810939 F\n0.310939 0.189061 0.750000 F\n0.189061 0.750000 0.310939 F\n0.750000 0.310939 0.189061 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"F"
],
"chemical_system": "Ag-F-Mg",
"density": 5.002378420390957,
"density_atomic": 0.07962488836400133,
"volume": 125.58887309562661,
"volume_molar": 7.563138716716404,
"formula_full": "Mg2 Ag2 F6",
"formula_reduced": "MgAgF3",
"formula_anonymous": "ABC3",
"energy": -48.06576408,
"energy_per_atom": -4.806576408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.29376408,
"band_gap": 2.1901,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.622000Z",
"spacegroup": 167
},
{
"id": "mp-1186222",
"created_at": "2022-09-04T14:39:10.033909Z",
"structure_string": "Nb1 Ga1 Os2\n1.0\n0.000000 3.130584 3.130584\n3.130584 0.000000 3.130584\n3.130584 3.130584 0.000000\nNb Ga Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Os\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Ga",
"Os"
],
"chemical_system": "Ga-Nb-Os",
"density": 14.69651384995223,
"density_atomic": 0.06518593688301333,
"volume": 61.362928743030025,
"volume_molar": 9.238404858409417,
"formula_full": "Nb1 Ga1 Os2",
"formula_reduced": "NbGaOs2",
"formula_anonymous": "ABC2",
"energy": -36.39940219,
"energy_per_atom": -9.0998505475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.39940219,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.469000Z",
"spacegroup": 225
},
{
"id": "mp-1219963",
"created_at": "2022-09-04T14:39:10.034848Z",
"structure_string": "Rh2 Au2 N10 Cl12 O1\n1.0\n0.000000 -8.478587 0.000000\n-7.061463 -4.239293 1.726900\n-1.837914 0.000000 -11.445742\nRh Au N Cl O\n2 2 10 12 1\ndirect\n0.736733 0.518717 0.793728 Rh\n0.255450 0.481283 0.206272 Rh\n0.015166 0.000000 0.000000 Au\n0.498934 0.000000 0.500000 Au\n0.565516 0.615786 0.696506 N\n0.874848 0.635630 0.763515 N\n0.510479 0.364370 0.236485 N\n0.181303 0.384214 0.303494 N\n0.636501 0.603291 0.951052 N\n0.239792 0.396709 0.048948 N\n0.631355 0.325230 0.807472 N\n0.969824 0.284988 0.780849 N\n0.254812 0.715012 0.219151 N\n0.956585 0.674770 0.192528 N\n0.651699 0.680858 0.494784 Cl\n0.332557 0.319142 0.505216 Cl\n0.772118 0.549426 0.059047 Cl\n0.321544 0.450574 0.940953 Cl\n0.285944 0.000000 0.000000 Cl\n0.746245 0.000000 0.000000 Cl\n0.507232 0.987310 0.299647 Cl\n0.494542 0.012690 0.700353 Cl\n0.892524 0.192856 0.478925 Cl\n0.085380 0.807144 0.521075 Cl\n0.081903 0.918834 0.236146 Cl\n0.000737 0.081166 0.763854 Cl\n0.878277 0.000000 0.500000 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Rh",
"Au",
"N",
"Cl",
"O"
],
"chemical_system": "Au-Cl-N-O-Rh",
"density": 2.75422493008912,
"density_atomic": 0.03791172304156226,
"volume": 712.1807671574346,
"volume_molar": 15.884640097729097,
"formula_full": "Rh2 Au2 N10 Cl12 O1",
"formula_reduced": "Rh2Au2N10Cl12O",
"formula_anonymous": "AB2C2D10E12",
"energy": -107.53966286,
"energy_per_atom": -3.9829504762962964,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.48466286,
"band_gap": 0.0588,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.998197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.785000Z",
"spacegroup": 5
},
{
"id": "mp-757868",
"created_at": "2022-09-04T14:39:10.156806Z",
"structure_string": "K8 Li12 Co4 O16\n1.0\n8.848657 0.000000 0.000000\n0.000000 5.573873 0.000000\n0.000000 3.999889 10.267867\nK Li Co O\n8 12 4 16\ndirect\n0.507673 0.706646 0.638485 K\n0.227519 0.282488 0.107715 K\n0.007673 0.293354 0.861515 K\n0.727519 0.717512 0.392285 K\n0.272481 0.282488 0.607715 K\n0.992327 0.706646 0.138485 K\n0.772481 0.717512 0.892285 K\n0.492327 0.293354 0.361515 K\n0.264500 0.625225 0.801395 Li\n0.496788 0.368290 0.932122 Li\n0.996788 0.631710 0.567878 Li\n0.966137 0.093996 0.297731 Li\n0.764500 0.374775 0.698605 Li\n0.466137 0.906004 0.202269 Li\n0.533863 0.093996 0.797731 Li\n0.235500 0.625225 0.301395 Li\n0.033863 0.906004 0.702269 Li\n0.003212 0.368290 0.432122 Li\n0.503212 0.631710 0.067878 Li\n0.735500 0.374775 0.198605 Li\n0.213385 0.905665 0.436141 Co\n0.713385 0.094335 0.063859 Co\n0.286615 0.905665 0.936141 Co\n0.786615 0.094335 0.563859 Co\n0.191627 0.763799 0.620107 O\n0.827365 0.748965 0.644116 O\n0.550128 0.256331 0.123412 O\n0.890431 0.222507 0.111681 O\n0.327365 0.251035 0.855884 O\n0.691627 0.236201 0.879893 O\n0.390431 0.777493 0.388319 O\n0.050128 0.743669 0.376588 O\n0.949872 0.256331 0.623412 O\n0.609569 0.222507 0.611681 O\n0.308373 0.763799 0.120107 O\n0.672635 0.748965 0.144116 O\n0.109569 0.777493 0.888319 O\n0.449872 0.743669 0.876588 O\n0.172635 0.251035 0.355884 O\n0.808373 0.236201 0.379893 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"Li",
"Co",
"O"
],
"chemical_system": "Co-K-Li-O",
"density": 2.9110545680355817,
"density_atomic": 0.07898512807246653,
"volume": 506.42444946472926,
"volume_molar": 7.624398297455266,
"formula_full": "K8 Li12 Co4 O16",
"formula_reduced": "K2Li3CoO4",
"formula_anonymous": "AB2C3D4",
"energy": -210.4629249,
"energy_per_atom": -5.2615731225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.91892490000004,
"band_gap": 1.2641,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.637000Z",
"spacegroup": 14
},
{
"id": "mp-1176888",
"created_at": "2022-09-04T14:39:10.007965Z",
"structure_string": "Li6 V1 Cr3 P6 O24\n1.0\n8.599490 0.000000 0.000000\n4.139705 7.552179 0.000000\n4.167683 2.435941 7.142782\nLi V Cr P O\n6 1 3 6 24\ndirect\n0.029902 0.005619 0.997407 Li\n0.749294 0.148010 0.352799 Li\n0.470196 0.501652 0.495693 Li\n0.255775 0.845454 0.654004 Li\n0.650541 0.259876 0.842156 Li\n0.847058 0.654857 0.253988 Li\n0.854743 0.853166 0.854402 V\n0.142636 0.145469 0.138593 Cr\n0.357421 0.361346 0.354902 Cr\n0.645154 0.646806 0.645874 Cr\n0.048571 0.751822 0.448680 P\n0.449300 0.050360 0.748665 P\n0.750764 0.451548 0.045125 P\n0.252099 0.539949 0.959958 P\n0.540439 0.962376 0.252011 P\n0.957620 0.251625 0.536681 P\n0.130493 0.287428 0.501041 O\n0.294991 0.513312 0.124435 O\n0.046837 0.925032 0.267181 O\n0.529022 0.124048 0.292326 O\n0.238336 0.592773 0.428404 O\n0.016919 0.805239 0.612013 O\n0.258638 0.072819 0.907300 O\n0.452278 0.232026 0.574868 O\n0.591940 0.431314 0.238937 O\n0.208024 0.375651 0.986286 O\n0.092198 0.733665 0.931262 O\n0.368350 0.998870 0.214392 O\n0.610929 0.016182 0.804830 O\n0.907794 0.257570 0.070550 O\n0.810796 0.609972 0.012081 O\n0.417299 0.562433 0.767005 O\n0.562368 0.770481 0.415947 O\n0.731344 0.929295 0.089191 O\n0.970805 0.207938 0.376222 O\n0.768571 0.418243 0.562415 O\n0.478849 0.886629 0.696410 O\n0.929710 0.091506 0.730425 O\n0.696204 0.480529 0.885068 O\n0.885795 0.696109 0.481475 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P-V",
"density": 2.929573912737323,
"density_atomic": 0.08622786339763719,
"volume": 463.88717548921755,
"volume_molar": 6.983984668887224,
"formula_full": "Li6 V1 Cr3 P6 O24",
"formula_reduced": "Li6VCr3(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -306.40232145,
"energy_per_atom": -7.66005803625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.21732145,
"band_gap": 2.2569,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0257234,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.018000Z",
"spacegroup": 1
},
{
"id": "mp-1206175",
"created_at": "2022-09-04T14:39:10.018004Z",
"structure_string": "Eu2 Al2 Ge2\n1.0\n-2.179280 2.179280 7.453303\n2.179280 -2.179280 7.453303\n2.179280 2.179280 -7.453303\nEu Al Ge\n2 2 2\ndirect\n0.582296 0.582296 0.000000 Eu\n0.332296 0.832296 0.500000 Eu\n0.165585 0.165585 0.000000 Al\n0.915585 0.415585 0.500000 Al\n0.999119 0.999119 0.000000 Ge\n0.749119 0.249119 0.500000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"Al",
"Ge"
],
"chemical_system": "Al-Eu-Ge",
"density": 5.901058664989889,
"density_atomic": 0.04237565416949719,
"volume": 141.59073452885866,
"volume_molar": 14.211322227409653,
"formula_full": "Eu2 Al2 Ge2",
"formula_reduced": "EuAlGe",
"formula_anonymous": "ABC",
"energy": -40.49459341,
"energy_per_atom": -6.749098901666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.49459341,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.96225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.922000Z",
"spacegroup": 109
},
{
"id": "mp-1221062",
"created_at": "2022-09-04T14:39:06.897513Z",
"structure_string": "Na1 Nd3 Ti3 Mn1 O12\n1.0\n5.499195 0.000000 0.000000\n0.012090 5.656948 0.000000\n0.032851 0.017159 7.885426\nNa Nd Ti Mn O\n1 3 3 1 12\ndirect\n0.497258 0.481868 0.249795 Na\n0.017041 0.949638 0.241615 Nd\n0.512514 0.550893 0.762916 Nd\n0.988599 0.051298 0.754506 Nd\n0.498357 0.021090 0.503802 Ti\n0.009893 0.511686 0.491451 Ti\n0.503607 0.004210 0.016336 Ti\n0.004033 0.495806 0.006750 Mn\n0.587411 0.023113 0.253804 O\n0.916462 0.518494 0.266886 O\n0.413663 0.971889 0.738663 O\n0.093895 0.472249 0.734175 O\n0.784599 0.804147 0.952892 O\n0.707510 0.272940 0.555983 O\n0.203987 0.197230 0.459679 O\n0.311249 0.720506 0.039027 O\n0.204607 0.177011 0.030355 O\n0.270076 0.723721 0.453331 O\n0.776420 0.780696 0.549060 O\n0.698819 0.271513 0.938975 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Nd",
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-Na-Nd-O-Ti",
"density": 5.728489056433703,
"density_atomic": 0.0815311425869986,
"volume": 245.30503762606793,
"volume_molar": 7.386307328606387,
"formula_full": "Na1 Nd3 Ti3 Mn1 O12",
"formula_reduced": "NaNd3Ti3MnO12",
"formula_anonymous": "ABC3D3E12",
"energy": -175.88603215,
"energy_per_atom": -8.7943016075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.97403215,
"band_gap": 1.0561999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0172513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.519000Z",
"spacegroup": 1
}
]
}