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=-decomposes_to&page=12125",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12123",
"results": [
{
"id": "mp-1101650",
"created_at": "2022-09-04T14:48:23.102979Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n-9.017498 0.114830 -0.162981\n-0.164278 6.261094 -5.261002\n0.005957 -6.278716 -5.286834\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.766087 0.372689 0.379068 Na\n0.766561 0.624653 0.125178 Na\n0.237999 0.106114 0.128277 Na\n0.240550 0.611359 0.634318 Na\n0.656081 0.483002 0.733996 Mn\n0.656386 0.984186 0.234324 Mn\n0.344145 0.523863 0.260907 Mn\n0.342548 0.022233 0.758915 Mn\n0.569405 0.269632 0.019562 P\n0.566866 0.763557 0.512401 P\n0.431576 0.237015 0.482439 P\n0.432031 0.738107 0.980807 P\n0.924169 0.003089 0.266874 C\n0.923866 0.507186 0.760582 C\n0.079678 0.488811 0.238309 C\n0.071566 0.992825 0.740862 C\n0.943443 0.469241 0.229274 O\n0.936488 0.976064 0.731067 O\n0.858111 0.396365 0.651683 O\n0.858603 0.893017 0.157010 O\n0.822516 0.095933 0.362075 O\n0.822335 0.603112 0.853011 O\n0.675706 0.146820 0.093018 O\n0.669850 0.626706 0.570393 O\n0.668339 0.340075 0.896089 O\n0.663967 0.818067 0.376207 O\n0.530560 0.418008 0.166790 O\n0.574703 0.312680 0.558636 O\n0.574754 0.810659 0.060828 O\n0.523006 0.905984 0.653929 O\n0.472892 0.096052 0.333680 O\n0.428447 0.190771 0.946126 O\n0.422211 0.685928 0.438299 O\n0.473111 0.598193 0.831040 O\n0.331482 0.175461 0.609513 O\n0.329163 0.370683 0.418448 O\n0.331224 0.672482 0.106188 O\n0.330101 0.872242 0.919265 O\n0.180233 0.396891 0.142715 O\n0.170648 0.897810 0.643657 O\n0.138264 0.105311 0.847336 O\n0.142411 0.603765 0.344560 O\n0.059022 0.020347 0.278781 O\n0.058893 0.520914 0.775666 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.5952430460691143,
"density_atomic": 0.07381371699664287,
"volume": 596.0951675418428,
"volume_molar": 8.158565921119909,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.21842496,
"energy_per_atom": -7.595873294545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.31042496,
"band_gap": 0.8397,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0025338,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:14.702000Z",
"spacegroup": 1
},
{
"id": "mp-19021",
"created_at": "2022-09-04T14:48:23.103660Z",
"structure_string": "Ba2 Co4 P4 O16\n1.0\n-2.116361 -4.198625 1.379744\n4.555234 -0.063919 15.538951\n-4.706188 -0.044533 1.371040\nBa Co P O\n2 4 4 16\ndirect\n0.999908 0.500114 0.500069 Ba\n0.999776 0.999769 0.000257 Ba\n0.830511 0.754757 0.584896 Co\n0.168844 0.245554 0.414915 Co\n0.832183 0.254096 0.085998 Co\n0.169561 0.745231 0.915022 Co\n0.426585 0.859395 0.286960 P\n0.426880 0.359674 0.786541 P\n0.573421 0.640646 0.213001 P\n0.573200 0.140392 0.713670 P\n0.362401 0.955429 0.318805 O\n0.362880 0.455716 0.817531 O\n0.636962 0.544627 0.181468 O\n0.635900 0.044341 0.682387 O\n0.562363 0.672610 0.522242 O\n0.563588 0.172600 0.021454 O\n0.243356 0.672479 0.233661 O\n0.242603 0.172415 0.734824 O\n0.437852 0.827460 0.977575 O\n0.438770 0.327542 0.476370 O\n0.148579 0.827916 0.585754 O\n0.148924 0.328144 0.084411 O\n0.851629 0.672044 0.914156 O\n0.850894 0.171667 0.414756 O\n0.756742 0.827696 0.266197 O\n0.755688 0.327685 0.767084 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Co",
"P",
"O"
],
"chemical_system": "Ba-Co-O-P",
"density": 4.462345170280401,
"density_atomic": 0.07848101034495679,
"volume": 331.2903323456101,
"volume_molar": 7.6733731300478665,
"formula_full": "Ba2 Co4 P4 O16",
"formula_reduced": "BaCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -199.42574645,
"energy_per_atom": -7.670221017307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.88174645,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:09Z",
"spacegroup": 148
},
{
"id": "mp-1097614",
"created_at": "2022-09-04T14:48:23.108207Z",
"structure_string": "Ti2 Mn1 Mo1\n1.0\n-4.851836 5.401343 7.872859\n4.851836 -5.401343 7.872859\n4.851836 5.401343 -7.872859\nTi Mn Mo\n2 1 1\ndirect\n0.000000 0.270230 0.270230 Ti\n0.000000 0.729770 0.729770 Ti\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Mo"
],
"chemical_system": "Mn-Mo-Ti",
"density": 0.4962071839820986,
"density_atomic": 0.004846850865043649,
"volume": 825.2781262259814,
"volume_molar": 124.24852605704768,
"formula_full": "Ti2 Mn1 Mo1",
"formula_reduced": "Ti2MnMo",
"formula_anonymous": "ABC2",
"energy": -21.82029665,
"energy_per_atom": -5.4550741625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.82029665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6481481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:29.339000Z",
"spacegroup": 71
},
{
"id": "mp-1110589",
"created_at": "2022-09-04T14:48:23.109202Z",
"structure_string": "Rb2 Ir1 Au1 F6\n1.0\n0.000000 4.491552 4.491552\n4.491552 0.000000 4.491552\n4.491552 4.491552 0.000000\nRb Ir Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Au\n0.771565 0.228435 0.228435 F\n0.228435 0.228435 0.771565 F\n0.228435 0.771565 0.771565 F\n0.228435 0.771565 0.228435 F\n0.771565 0.228435 0.771565 F\n0.771565 0.771565 0.228435 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ir",
"Au",
"F"
],
"chemical_system": "Au-F-Ir-Rb",
"density": 6.176754071505527,
"density_atomic": 0.05517987449294074,
"volume": 181.22549374916244,
"volume_molar": 10.913654326579563,
"formula_full": "Rb2 Ir1 Au1 F6",
"formula_reduced": "Rb2IrAuF6",
"formula_anonymous": "ABC2D6",
"energy": -45.34548526,
"energy_per_atom": -4.534548526,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.57348526,
"band_gap": 0.4937999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:09.398000Z",
"spacegroup": 225
},
{
"id": "mp-1227820",
"created_at": "2022-09-04T14:48:23.125190Z",
"structure_string": "Ca10 Nb5 In1 O24\n1.0\n-5.603828 5.833178 -0.004889\n-5.578077 -5.808215 0.016255\n-5.605037 -0.002176 8.113230\nCa Nb In O\n10 5 1 24\ndirect\n0.749723 0.252115 0.501662 Ca\n0.001199 0.998611 0.000887 Ca\n0.597873 0.153400 0.260630 Ca\n0.113595 0.663191 0.242653 Ca\n0.417149 0.361737 0.747448 Ca\n0.912401 0.855651 0.741968 Ca\n0.891999 0.341678 0.759177 Ca\n0.397745 0.842644 0.739153 Ca\n0.086834 0.143748 0.261651 Ca\n0.581234 0.642099 0.250248 Ca\n0.499292 0.004875 0.998225 Nb\n0.984936 0.502898 0.004497 Nb\n0.250235 0.253829 0.508265 Nb\n0.751427 0.744824 0.491705 Nb\n0.489819 0.502337 0.998659 Nb\n0.250677 0.750092 0.498312 In\n0.461507 0.908473 0.239485 O\n0.966409 0.423962 0.225401 O\n0.173533 0.220948 0.728188 O\n0.649747 0.687040 0.764441 O\n0.054620 0.584628 0.758531 O\n0.521686 0.080493 0.776234 O\n0.351004 0.319432 0.235284 O\n0.830357 0.770767 0.272622 O\n0.477341 0.667616 0.561971 O\n0.999945 0.167938 0.540401 O\n0.428310 0.716517 0.053524 O\n0.917476 0.241044 0.053355 O\n0.010078 0.825497 0.457585 O\n0.519737 0.333576 0.427881 O\n0.087939 0.765717 0.933521 O\n0.571061 0.277768 0.952405 O\n0.287046 0.992534 0.543803 O\n0.758306 0.478512 0.585447 O\n0.232477 0.007288 0.082454 O\n0.727925 0.530089 0.047077 O\n0.230672 0.523118 0.430598 O\n0.721189 0.001983 0.447772 O\n0.285004 0.475973 0.946920 O\n0.760491 0.985360 0.929961 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ca",
"Nb",
"In",
"O"
],
"chemical_system": "Ca-In-Nb-O",
"density": 4.292638884542325,
"density_atomic": 0.0758026005964943,
"volume": 527.6863812750233,
"volume_molar": 7.944504162933047,
"formula_full": "Ca10 Nb5 In1 O24",
"formula_reduced": "Ca10Nb5InO24",
"formula_anonymous": "AB5C10D24",
"energy": -321.54967565999993,
"energy_per_atom": -8.038741891499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -305.06167566,
"band_gap": 2.7595000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:24.178000Z",
"spacegroup": 1
},
{
"id": "mp-625468",
"created_at": "2022-09-04T14:48:22.959380Z",
"structure_string": "Lu4 H12 O12\n1.0\n4.102745 -5.810959 0.000000\n4.102745 5.810959 0.000000\n-4.127658 0.000000 5.793290\nLu H O\n4 12 12\ndirect\n0.500000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.638269 0.954858 0.683060 H\n0.361731 0.045142 0.316940 H\n0.724587 0.167246 0.557248 H\n0.275413 0.832754 0.442752 H\n0.442752 0.275413 0.832754 H\n0.557248 0.724587 0.167246 H\n0.316940 0.361731 0.045142 H\n0.683060 0.638269 0.954858 H\n0.045142 0.316940 0.361731 H\n0.954858 0.683060 0.638269 H\n0.832754 0.442752 0.275413 H\n0.167246 0.557248 0.724587 H\n0.513839 0.833787 0.681695 O\n0.486161 0.166213 0.318305 O\n0.845182 0.168553 0.679532 O\n0.154818 0.831447 0.320468 O\n0.320468 0.154818 0.831447 O\n0.679532 0.845182 0.168553 O\n0.318305 0.486161 0.166213 O\n0.681695 0.513839 0.833787 O\n0.166213 0.318305 0.486161 O\n0.833787 0.681695 0.513839 O\n0.831447 0.320468 0.154818 O\n0.168553 0.679532 0.845182 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Lu",
"H",
"O"
],
"chemical_system": "H-Lu-O",
"density": 5.433989900918795,
"density_atomic": 0.10136322755035694,
"volume": 276.2342979468534,
"volume_molar": 5.941149374913322,
"formula_full": "Lu4 H12 O12",
"formula_reduced": "Lu(HO)3",
"formula_anonymous": "AB3C3",
"energy": -182.61007185,
"energy_per_atom": -6.521788280357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.36607185,
"band_gap": 5.024900000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:04.980000Z",
"spacegroup": 148
},
{
"id": "mp-573969",
"created_at": "2022-09-04T14:48:22.961411Z",
"structure_string": "Cs4 Ce4 Si4 Se16\n1.0\n6.812287 0.000000 0.000000\n0.000000 7.164446 0.000000\n0.000000 0.000000 18.796300\nCs Ce Si Se\n4 4 4 16\ndirect\n0.503799 0.494271 0.966341 Cs\n0.996201 0.505729 0.466341 Cs\n0.496201 0.994271 0.533659 Cs\n0.003799 0.005729 0.033659 Cs\n0.708007 0.976616 0.273425 Ce\n0.291993 0.476616 0.226575 Ce\n0.791993 0.023384 0.773425 Ce\n0.208007 0.523384 0.726575 Ce\n0.287061 0.984944 0.835651 Si\n0.787061 0.515056 0.164349 Si\n0.212939 0.015056 0.335651 Si\n0.712939 0.484944 0.664349 Si\n0.552892 0.989295 0.908543 Se\n0.066842 0.749079 0.857885 Se\n0.382096 0.934545 0.720262 Se\n0.117904 0.065455 0.220262 Se\n0.052892 0.510705 0.091457 Se\n0.947108 0.010705 0.408543 Se\n0.395278 0.746960 0.349893 Se\n0.617904 0.434545 0.779738 Se\n0.604722 0.246960 0.150107 Se\n0.104722 0.253040 0.849893 Se\n0.895278 0.753040 0.650107 Se\n0.447108 0.489295 0.591457 Se\n0.933158 0.249079 0.642115 Se\n0.566842 0.750921 0.142115 Se\n0.433158 0.250921 0.357885 Se\n0.882096 0.565455 0.279738 Se\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cs",
"Ce",
"Si",
"Se"
],
"chemical_system": "Ce-Cs-Se-Si",
"density": 4.4669284243586,
"density_atomic": 0.030521797966500515,
"volume": 917.37714897175,
"volume_molar": 19.73062257541203,
"formula_full": "Cs4 Ce4 Si4 Se16",
"formula_reduced": "CsCeSiSe4",
"formula_anonymous": "ABCD4",
"energy": -147.29452988,
"energy_per_atom": -5.260518924285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.74252988,
"band_gap": 0.2913000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999995,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:11.047000Z",
"spacegroup": 19
},
{
"id": "mp-1101461",
"created_at": "2022-09-04T14:48:22.963200Z",
"structure_string": "Rb8 Zr4 O12\n1.0\n5.989843 0.000000 0.000000\n0.000000 7.412891 0.000000\n0.000000 0.000000 11.046591\nRb Zr O\n8 4 12\ndirect\n0.237510 0.610411 0.086325 Rb\n0.237510 0.610411 0.413675 Rb\n0.262490 0.110411 0.586325 Rb\n0.262490 0.110411 0.913675 Rb\n0.737510 0.889589 0.086325 Rb\n0.737510 0.889589 0.413675 Rb\n0.762490 0.389589 0.586325 Rb\n0.762490 0.389589 0.913675 Rb\n0.225513 0.663313 0.750000 Zr\n0.274487 0.163313 0.250000 Zr\n0.725513 0.836687 0.750000 Zr\n0.774487 0.336687 0.250000 Zr\n0.015180 0.235312 0.127073 O\n0.015180 0.235312 0.372927 O\n0.179974 0.404632 0.750000 O\n0.320026 0.904632 0.250000 O\n0.484820 0.735312 0.872927 O\n0.484820 0.735312 0.627073 O\n0.515180 0.264688 0.127073 O\n0.515180 0.264688 0.372927 O\n0.679974 0.095368 0.750000 O\n0.820026 0.595368 0.250000 O\n0.984820 0.764688 0.627073 O\n0.984820 0.764688 0.872927 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Zr",
"O"
],
"chemical_system": "O-Rb-Zr",
"density": 4.200108100752062,
"density_atomic": 0.048930529295770325,
"volume": 490.4913219909644,
"volume_molar": 12.307532427450298,
"formula_full": "Rb8 Zr4 O12",
"formula_reduced": "Rb2ZrO3",
"formula_anonymous": "AB2C3",
"energy": -167.41109057,
"energy_per_atom": -6.975462107083334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.16709057,
"band_gap": 3.5386,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0021578,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:02.068000Z",
"spacegroup": 62
},
{
"id": "mp-775742",
"created_at": "2022-09-04T14:48:22.968963Z",
"structure_string": "Li4 Fe6 Te2 O16\n1.0\n3.013993 -5.220388 0.000000\n3.013993 5.220388 0.000000\n0.000000 0.000000 9.888624\nLi Fe Te O\n4 6 2 16\ndirect\n0.333333 0.666667 0.908392 Li\n0.000000 0.000000 0.987936 Li\n0.000000 0.000000 0.487936 Li\n0.666667 0.333333 0.408392 Li\n0.169254 0.830746 0.212961 Fe\n0.169254 0.338508 0.212961 Fe\n0.661492 0.830746 0.212961 Fe\n0.338508 0.169254 0.712961 Fe\n0.830746 0.661492 0.712961 Fe\n0.830746 0.169254 0.712961 Fe\n0.333333 0.666667 0.484840 Te\n0.666667 0.333333 0.984840 Te\n0.164024 0.835976 0.595223 O\n0.035875 0.517937 0.345121 O\n0.333333 0.666667 0.109202 O\n0.000000 0.000000 0.303376 O\n0.000000 0.000000 0.803376 O\n0.164024 0.328048 0.595223 O\n0.482063 0.964125 0.345121 O\n0.482063 0.517937 0.345121 O\n0.328048 0.164024 0.095223 O\n0.671952 0.835976 0.595223 O\n0.517937 0.482063 0.845121 O\n0.517937 0.035875 0.845121 O\n0.666667 0.333333 0.609202 O\n0.835976 0.671952 0.095223 O\n0.964125 0.482063 0.845121 O\n0.835976 0.164024 0.095223 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-Li-O-Te",
"density": 4.664034700217466,
"density_atomic": 0.08998024054595405,
"volume": 311.1794303961662,
"volume_molar": 6.69273689807977,
"formula_full": "Li4 Fe6 Te2 O16",
"formula_reduced": "Li2Fe3TeO8",
"formula_anonymous": "AB2C3D8",
"energy": -194.11268829,
"energy_per_atom": -6.932596010357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.58468829,
"band_gap": 0.0678,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9995242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:42.186000Z",
"spacegroup": 186
},
{
"id": "mp-568800",
"created_at": "2022-09-04T14:48:22.974886Z",
"structure_string": "Cd1 Cu1 Sb1\n1.0\n0.000000 3.281159 3.281159\n3.281159 0.000000 3.281159\n3.281159 3.281159 0.000000\nCd Cu Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cu\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"Cu",
"Sb"
],
"chemical_system": "Cd-Cu-Sb",
"density": 6.99746778036311,
"density_atomic": 0.042462878456528186,
"volume": 70.64994435248381,
"volume_molar": 14.182130319227486,
"formula_full": "Cd1 Cu1 Sb1",
"formula_reduced": "CdCuSb",
"formula_anonymous": "ABC",
"energy": -8.78346675,
"energy_per_atom": -2.92782225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.59146675,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:08.180000Z",
"spacegroup": 216
},
{
"id": "mp-1094277",
"created_at": "2022-09-04T14:48:22.979220Z",
"structure_string": "Zr8 Sn4\n1.0\n5.344886 0.000000 0.000000\n0.000000 5.345457 0.000000\n0.000000 0.000000 9.688516\nZr Sn\n8 4\ndirect\n0.454698 0.000000 0.000000 Zr\n0.415090 0.000000 0.322871 Zr\n0.909683 0.000000 0.500000 Zr\n0.415090 0.000000 0.677129 Zr\n0.090317 0.500000 0.000000 Zr\n0.584910 0.500000 0.177129 Zr\n0.545302 0.500000 0.500000 Zr\n0.584910 0.500000 0.822871 Zr\n0.929875 0.000000 0.169184 Sn\n0.929875 0.000000 0.830816 Sn\n0.070125 0.500000 0.330816 Sn\n0.070125 0.500000 0.669184 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.226415775329889,
"density_atomic": 0.04335115753627019,
"volume": 276.8092176076285,
"volume_molar": 13.891533934155078,
"formula_full": "Zr8 Sn4",
"formula_reduced": "Zr2Sn",
"formula_anonymous": "AB2",
"energy": -87.32391371,
"energy_per_atom": -7.276992809166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.32391371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2655846,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.467000Z",
"spacegroup": 59
},
{
"id": "mp-1205839",
"created_at": "2022-09-04T14:48:22.984765Z",
"structure_string": "Dy4 Mg3 Co2\n1.0\n3.699139 0.000000 0.000000\n0.000000 7.441973 0.000000\n0.000000 2.753237 7.659303\nDy Mg Co\n4 3 2\ndirect\n0.500000 0.901873 0.225879 Dy\n0.500000 0.098127 0.774121 Dy\n0.500000 0.397241 0.319761 Dy\n0.500000 0.602759 0.680239 Dy\n0.000000 0.707046 0.001306 Mg\n0.000000 0.292954 0.998694 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.647665 0.395333 Co\n0.000000 0.352335 0.604667 Co\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"Mg",
"Co"
],
"chemical_system": "Co-Dy-Mg",
"density": 6.621466658476223,
"density_atomic": 0.04268394171033409,
"volume": 210.85212938103686,
"volume_molar": 14.108680029759286,
"formula_full": "Dy4 Mg3 Co2",
"formula_reduced": "Dy4Mg3Co2",
"formula_anonymous": "A2B3C4",
"energy": -38.91700238,
"energy_per_atom": -4.324111375555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.91700238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.032046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.051000Z",
"spacegroup": 10
}
]
}