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=29",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=27",
"results": [
{
"id": "mp-651026",
"created_at": "2022-09-04T14:44:56.294624Z",
"structure_string": "Os16 C48 Se8 O48\n1.0\n-9.645021 0.000000 0.000000\n-0.086683 -14.189426 0.000000\n4.580217 2.370463 15.780126\nOs C Se O\n16 48 8 48\ndirect\n0.966435 0.658308 0.144029 Os\n0.033565 0.341692 0.855971 Os\n0.543032 0.133714 0.300037 Os\n0.146905 0.560291 0.293302 Os\n0.844073 0.490665 0.193682 Os\n0.895726 0.645924 0.349827 Os\n0.155927 0.509335 0.806318 Os\n0.456968 0.866286 0.699963 Os\n0.258897 0.079985 0.332034 Os\n0.717384 0.923675 0.846723 Os\n0.853095 0.439709 0.706698 Os\n0.741103 0.920015 0.667966 Os\n0.495605 0.924598 0.234973 Os\n0.504395 0.075402 0.765027 Os\n0.104274 0.354076 0.650173 Os\n0.282616 0.076325 0.153277 Os\n0.292159 0.601326 0.394937 C\n0.507513 0.192999 0.723892 C\n0.498838 0.262697 0.326085 C\n0.875724 0.579451 0.039276 C\n0.689092 0.811544 0.581812 C\n0.093273 0.225652 0.896168 C\n0.707841 0.398674 0.605063 C\n0.828885 0.989612 0.604116 C\n0.291778 0.529870 0.237293 C\n0.148409 0.231864 0.602283 C\n0.680119 0.969060 0.951376 C\n0.741170 0.578347 0.371049 C\n0.800069 0.406453 0.261776 C\n0.084413 0.137946 0.279830 C\n0.329319 0.548760 0.892434 C\n0.524598 0.131652 0.879900 C\n0.730128 0.150385 0.376991 C\n0.914759 0.914305 0.902271 C\n0.853348 0.335758 0.882428 C\n0.607972 0.158816 0.207021 C\n0.699000 0.939883 0.252594 C\n0.492487 0.807001 0.276108 C\n0.861132 0.565589 0.681458 C\n0.676657 0.795328 0.857348 C\n0.906727 0.774348 0.103832 C\n0.146652 0.664242 0.117572 C\n0.501162 0.737303 0.673915 C\n0.301000 0.060117 0.747406 C\n0.199931 0.593547 0.738224 C\n0.976134 0.383546 0.547366 C\n0.956872 0.398766 0.148313 C\n0.258830 0.421653 0.628951 C\n0.670681 0.451240 0.107566 C\n0.171115 0.010388 0.395884 C\n0.851591 0.768136 0.397717 C\n0.124276 0.420549 0.960724 C\n0.023866 0.616454 0.452634 C\n0.269872 0.849615 0.623009 C\n0.323343 0.204672 0.142652 C\n0.475402 0.868348 0.120100 C\n0.310908 0.188456 0.418188 C\n0.708222 0.470130 0.762707 C\n0.392028 0.841184 0.792979 C\n0.085241 0.085695 0.097729 C\n0.043128 0.601234 0.851687 C\n0.138868 0.434411 0.318542 C\n0.915587 0.862054 0.720170 C\n0.319881 0.030940 0.048624 C\n0.913602 0.264235 0.700608 Se\n0.781745 0.067309 0.787139 Se\n0.508241 0.007111 0.388151 Se\n0.263468 0.344769 0.802852 Se\n0.736532 0.655231 0.197148 Se\n0.491759 0.992889 0.611849 Se\n0.086398 0.735765 0.299392 Se\n0.218255 0.932691 0.212861 Se\n0.488228 0.736677 0.303731 O\n0.467950 0.827617 0.053042 O\n0.253403 0.674866 0.099858 O\n0.095535 0.598785 0.517094 O\n0.344425 0.825036 0.846928 O\n0.822965 0.945049 0.261619 O\n0.964866 0.092617 0.061348 O\n0.170612 0.155868 0.573140 O\n0.984533 0.659973 0.885356 O\n0.352989 0.459200 0.613971 O\n0.472431 0.342274 0.340650 O\n0.133818 0.155784 0.922113 O\n0.115714 0.968765 0.434329 O\n0.527569 0.657726 0.659350 O\n0.845616 0.161685 0.423419 O\n0.141585 0.360766 0.341941 O\n0.224713 0.648829 0.698282 O\n0.655575 0.174964 0.153072 O\n0.618664 0.374317 0.542518 O\n0.343381 0.005856 0.984090 O\n0.858415 0.639234 0.658059 O\n0.434774 0.577392 0.943449 O\n0.565226 0.422608 0.056551 O\n0.177035 0.054951 0.738381 O\n0.532050 0.172383 0.946958 O\n0.177906 0.463719 0.027062 O\n0.866182 0.844216 0.077887 O\n0.015467 0.340027 0.114644 O\n0.829388 0.844132 0.426860 O\n0.904465 0.401215 0.482906 O\n0.656619 0.994144 0.015910 O\n0.822094 0.536281 0.972938 O\n0.338158 0.253206 0.472074 O\n0.647011 0.540800 0.386029 O\n0.662138 0.717257 0.868314 O\n0.383861 0.509859 0.205971 O\n0.616139 0.490141 0.794029 O\n0.511772 0.263323 0.696269 O\n0.746597 0.325134 0.900142 O\n0.154384 0.838315 0.576581 O\n0.661842 0.746794 0.527926 O\n0.035134 0.907383 0.938652 O\n0.381336 0.625683 0.457482 O\n0.025724 0.827910 0.746350 O\n0.337862 0.282743 0.131686 O\n0.775287 0.351171 0.301718 O\n0.974276 0.172090 0.253650 O\n0.884286 0.031235 0.565671 O\n",
"nsites": 120,
"nelements": 4,
"elements": [
"Os",
"C",
"Se",
"O"
],
"chemical_system": "C-O-Os-Se",
"density": 3.85976546505812,
"density_atomic": 0.0555651862524503,
"volume": 2159.625623403868,
"volume_molar": 10.837974577534036,
"formula_full": "Os16 C48 Se8 O48",
"formula_reduced": "Os2C6SeO6",
"formula_anonymous": "AB2C6D6",
"energy": -1002.27238195,
"energy_per_atom": -8.352269849583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -965.52038195,
"band_gap": 1.6708,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006395,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.450000Z",
"spacegroup": 2
},
{
"id": "mp-772071",
"created_at": "2022-09-04T14:44:56.296244Z",
"structure_string": "Li4 Mn3 Fe5 O16\n1.0\n2.924801 5.069126 0.000000\n-2.924801 5.069126 0.000000\n0.000000 0.032329 9.540251\nLi Mn Fe O\n4 3 5 16\ndirect\n0.669475 0.669475 0.891432 Li\n0.998338 0.998338 0.996139 Li\n0.000767 0.000767 0.497519 Li\n0.333837 0.333837 0.392694 Li\n0.829850 0.829850 0.214823 Mn\n0.662246 0.169003 0.714883 Mn\n0.169003 0.662246 0.714883 Mn\n0.829503 0.338789 0.214530 Fe\n0.663879 0.663879 0.492637 Fe\n0.338789 0.829503 0.214530 Fe\n0.169586 0.169586 0.713840 Fe\n0.330652 0.330652 0.988983 Fe\n0.838004 0.322282 0.603643 O\n0.517842 0.517842 0.341444 O\n0.672049 0.672049 0.102716 O\n0.994115 0.994115 0.311373 O\n0.996892 0.996892 0.809059 O\n0.322282 0.838004 0.603643 O\n0.964174 0.526799 0.338278 O\n0.526799 0.964174 0.338278 O\n0.162573 0.162573 0.098120 O\n0.838708 0.838708 0.603957 O\n0.483843 0.039092 0.833228 O\n0.039092 0.483843 0.833228 O\n0.337750 0.337750 0.608914 O\n0.671696 0.155556 0.100524 O\n0.481921 0.481921 0.834030 O\n0.155556 0.671696 0.100524 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.272067296622878,
"density_atomic": 0.09897803460835874,
"volume": 282.8910486128746,
"volume_molar": 6.0843204088954765,
"formula_full": "Li4 Mn3 Fe5 O16",
"formula_reduced": "Li4Mn3Fe5O16",
"formula_anonymous": "A3B4C5D16",
"energy": -208.41554623,
"energy_per_atom": -7.443412365357142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.13954623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.9999257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.447000Z",
"spacegroup": 8
},
{
"id": "mp-568895",
"created_at": "2022-09-04T14:44:56.297717Z",
"structure_string": "Ba2 Sb2 Au2\n1.0\n2.422776 -4.196370 0.000000\n2.422776 4.196370 0.000000\n0.000000 0.000000 9.478305\nBa Sb Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Au"
],
"chemical_system": "Au-Ba-Sb",
"density": 7.85863720798812,
"density_atomic": 0.031131750312844927,
"volume": 192.72928568762183,
"volume_molar": 19.34404811641853,
"formula_full": "Ba2 Sb2 Au2",
"formula_reduced": "BaSbAu",
"formula_anonymous": "ABC",
"energy": -24.58054387,
"energy_per_atom": -4.096757311666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.19654387,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022161,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.441000Z",
"spacegroup": 194
},
{
"id": "mp-756900",
"created_at": "2022-09-04T14:44:55.985650Z",
"structure_string": "Co7 O12\n1.0\n4.314704 2.455236 0.000000\n-4.314704 2.455236 0.000000\n0.000000 2.092180 9.392481\nCo O\n7 12\ndirect\n0.909875 0.090125 0.500000 Co\n0.005827 0.544684 0.227064 Co\n0.763574 0.236426 0.000000 Co\n0.455316 0.994173 0.772936 Co\n0.575932 0.424068 0.500000 Co\n0.440646 0.559354 0.000000 Co\n0.243723 0.756277 0.500000 Co\n0.055777 0.251313 0.116030 O\n0.748687 0.944223 0.883970 O\n0.819401 0.358457 0.615888 O\n0.641543 0.180599 0.384112 O\n0.715619 0.506948 0.103694 O\n0.493052 0.284381 0.896306 O\n0.536104 0.722852 0.601614 O\n0.277148 0.463896 0.398386 O\n0.410294 0.843731 0.109992 O\n0.156269 0.589706 0.890008 O\n0.216750 0.044120 0.610390 O\n0.955880 0.783250 0.389610 O\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.044392951608494,
"density_atomic": 0.09547705824006322,
"volume": 199.00068508842463,
"volume_molar": 6.307421773362769,
"formula_full": "Co7 O12",
"formula_reduced": "Co7O12",
"formula_anonymous": "A7B12",
"energy": -128.88614422,
"energy_per_atom": -6.783481274736842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.17614422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.4063836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.651000Z",
"spacegroup": 5
},
{
"id": "mp-1194130",
"created_at": "2022-09-04T14:44:55.990563Z",
"structure_string": "Zr16 Pd8 N4\n1.0\n0.000000 6.281835 6.281835\n6.281835 0.000000 6.281835\n6.281835 6.281835 0.000000\nZr Pd N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.819440 0.819440 0.180560 Zr\n0.180560 0.180560 0.819440 Zr\n0.819440 0.180560 0.819440 Zr\n0.180560 0.819440 0.180560 Zr\n0.180560 0.819440 0.819440 Zr\n0.819440 0.180560 0.180560 Zr\n0.430560 0.430560 0.069440 Zr\n0.069440 0.069440 0.430560 Zr\n0.430560 0.069440 0.430560 Zr\n0.069440 0.430560 0.069440 Zr\n0.069440 0.430560 0.430560 Zr\n0.430560 0.069440 0.069440 Zr\n0.767262 0.410913 0.410913 Pd\n0.410913 0.767262 0.410913 Pd\n0.410913 0.410913 0.767262 Pd\n0.410913 0.410913 0.410913 Pd\n0.482738 0.839087 0.839087 Pd\n0.839087 0.482738 0.839087 Pd\n0.839087 0.839087 0.482738 Pd\n0.839087 0.839087 0.839087 Pd\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zr",
"Pd",
"N"
],
"chemical_system": "N-Pd-Zr",
"density": 7.927795288796159,
"density_atomic": 0.05647658925655665,
"volume": 495.7806476733957,
"volume_molar": 10.6630744513327,
"formula_full": "Zr16 Pd8 N4",
"formula_reduced": "Zr4Pd2N",
"formula_anonymous": "AB2C4",
"energy": -238.90885509,
"energy_per_atom": -8.532459110357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -237.46485509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013814,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.142000Z",
"spacegroup": 227
},
{
"id": "mp-1197505",
"created_at": "2022-09-04T14:44:55.994840Z",
"structure_string": "Cs4 Fe8 F24\n1.0\n7.370553 0.000000 0.000000\n0.000000 7.611246 0.000000\n0.000000 0.000000 10.609131\nCs Fe F\n4 8 24\ndirect\n0.488409 0.250000 0.125878 Cs\n0.988409 0.250000 0.374122 Cs\n0.511591 0.750000 0.874122 Cs\n0.011591 0.750000 0.625878 Cs\n0.278853 0.250000 0.762321 Fe\n0.778853 0.250000 0.737679 Fe\n0.721147 0.750000 0.237679 Fe\n0.221147 0.750000 0.262321 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.650646 0.974296 0.350762 F\n0.150646 0.525704 0.149238 F\n0.349354 0.474296 0.649238 F\n0.849354 0.025704 0.850762 F\n0.349354 0.025704 0.649238 F\n0.849354 0.474296 0.850762 F\n0.650646 0.525704 0.350762 F\n0.150646 0.974296 0.149238 F\n0.218851 0.441902 0.904869 F\n0.718851 0.058098 0.595131 F\n0.781149 0.941902 0.095131 F\n0.281149 0.558098 0.404869 F\n0.781149 0.558098 0.095131 F\n0.281149 0.941902 0.404869 F\n0.218851 0.058098 0.904869 F\n0.718851 0.441902 0.595131 F\n0.959039 0.250000 0.050190 F\n0.459039 0.250000 0.449810 F\n0.040961 0.750000 0.949810 F\n0.540961 0.750000 0.550190 F\n0.038246 0.250000 0.674122 F\n0.538246 0.250000 0.825878 F\n0.961754 0.750000 0.325878 F\n0.461754 0.750000 0.174122 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Cs",
"Fe",
"F"
],
"chemical_system": "Cs-F-Fe",
"density": 4.001903555507789,
"density_atomic": 0.06048767010325954,
"volume": 595.1626164232113,
"volume_molar": 9.955980697751295,
"formula_full": "Cs4 Fe8 F24",
"formula_reduced": "CsFe2F6",
"formula_anonymous": "AB2C6",
"energy": -217.09061446,
"energy_per_atom": -6.030294846111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.95461446,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 36.0001682,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.234000Z",
"spacegroup": 62
},
{
"id": "mp-13903",
"created_at": "2022-09-04T14:44:56.002729Z",
"structure_string": "Zn1 Sn1 F6\n1.0\n4.942930 -2.665784 0.000000\n4.942930 2.665784 0.000000\n3.505239 0.000000 4.387740\nZn Sn F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Sn\n0.131005 0.362080 0.753430 F\n0.362080 0.753430 0.131005 F\n0.246570 0.868995 0.637920 F\n0.637920 0.246570 0.868995 F\n0.868995 0.637920 0.246570 F\n0.753430 0.131005 0.362080 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"F"
],
"chemical_system": "F-Sn-Zn",
"density": 4.2809928050429535,
"density_atomic": 0.06918464057287373,
"volume": 115.6326018861574,
"volume_molar": 8.704447562543518,
"formula_full": "Zn1 Sn1 F6",
"formula_reduced": "ZnSnF6",
"formula_anonymous": "ABC6",
"energy": -38.7417666,
"energy_per_atom": -4.842720825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.9697666,
"band_gap": 3.7147,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.057000Z",
"spacegroup": 148
},
{
"id": "mp-1187582",
"created_at": "2022-09-04T14:44:56.005219Z",
"structure_string": "Yb1 Mn3\n1.0\n4.058206 0.000000 0.000000\n0.000000 4.058206 0.000000\n0.000000 0.000000 4.058206\nYb Mn\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Mn"
],
"chemical_system": "Mn-Yb",
"density": 8.394137332203302,
"density_atomic": 0.059849113986150726,
"volume": 66.83474045957661,
"volume_molar": 10.062205367640937,
"formula_full": "Yb1 Mn3",
"formula_reduced": "YbMn3",
"formula_anonymous": "AB3",
"energy": -27.12434208,
"energy_per_atom": -6.78108552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.12434208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.526331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.946000Z",
"spacegroup": 221
},
{
"id": "mp-1208227",
"created_at": "2022-09-04T14:44:56.127933Z",
"structure_string": "V6 Pb10 F38\n1.0\n-7.372663 7.372663 3.884783\n7.372663 -7.372663 3.884783\n7.372663 7.372663 -3.884783\nV Pb F\n6 10 38\ndirect\n0.717256 0.217256 0.824578 V\n0.392677 0.892677 0.175422 V\n0.892677 0.717256 0.500000 V\n0.217256 0.392677 0.500000 V\n0.248321 0.248321 0.000000 V\n0.748321 0.748321 0.000000 V\n0.330463 0.170347 0.298443 Pb\n0.871904 0.032020 0.701557 Pb\n0.032020 0.330463 0.160116 Pb\n0.830463 0.532020 0.160116 Pb\n0.170347 0.871904 0.839884 Pb\n0.371904 0.670347 0.839884 Pb\n0.532020 0.371904 0.701557 Pb\n0.670347 0.830463 0.298443 Pb\n0.712874 0.212874 0.500000 Pb\n0.212874 0.712874 0.500000 Pb\n0.539276 0.039276 0.646603 F\n0.392673 0.892673 0.353397 F\n0.892673 0.539276 0.500000 F\n0.039276 0.392673 0.500000 F\n0.287964 0.530013 0.372023 F\n0.157990 0.915941 0.627977 F\n0.915941 0.287964 0.757951 F\n0.787964 0.415941 0.757951 F\n0.530013 0.157990 0.242049 F\n0.657990 0.030013 0.242049 F\n0.415941 0.657990 0.627977 F\n0.030013 0.787964 0.372023 F\n0.364184 0.864184 0.994007 F\n0.870177 0.370177 0.005993 F\n0.370177 0.364184 0.500000 F\n0.864184 0.870177 0.500000 F\n0.210267 0.710267 0.727571 F\n0.982697 0.482697 0.272429 F\n0.482697 0.210267 0.500000 F\n0.710267 0.982697 0.500000 F\n0.997319 0.997319 0.000000 F\n0.497319 0.497319 0.000000 F\n0.297470 0.359956 0.178540 F\n0.181416 0.118930 0.821460 F\n0.118930 0.297470 0.937514 F\n0.797470 0.618930 0.937514 F\n0.359956 0.181416 0.062486 F\n0.681416 0.859956 0.062486 F\n0.618930 0.681416 0.821460 F\n0.859956 0.797470 0.178540 F\n0.645829 0.503579 0.351123 F\n0.152456 0.294705 0.648877 F\n0.294705 0.645829 0.142250 F\n0.145829 0.794705 0.142250 F\n0.503579 0.152456 0.857750 F\n0.652456 0.003579 0.857750 F\n0.794705 0.652456 0.648877 F\n0.003579 0.145829 0.351123 F\n",
"nsites": 54,
"nelements": 3,
"elements": [
"V",
"Pb",
"F"
],
"chemical_system": "F-Pb-V",
"density": 6.093651197628289,
"density_atomic": 0.0639319922138158,
"volume": 844.6475407711526,
"volume_molar": 9.419604413169852,
"formula_full": "V6 Pb10 F38",
"formula_reduced": "V3Pb5F19",
"formula_anonymous": "A3B5C19",
"energy": -320.97984539000004,
"energy_per_atom": -5.944071210925927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -293.22384539,
"band_gap": 0.3349999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0002754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.983000Z",
"spacegroup": 108
},
{
"id": "mp-1290531",
"created_at": "2022-09-04T14:44:56.141389Z",
"structure_string": "Li2 V10 O14 F2\n1.0\n4.284634 -0.046605 -4.302411\n8.562453 4.229676 4.345005\n0.046797 -4.283588 4.302702\nLi V O F\n2 10 14 2\ndirect\n0.762755 0.375899 0.861342 Li\n0.763591 0.875359 0.361064 Li\n0.369810 0.684428 0.443849 V\n0.368731 0.183013 0.942925 V\n0.871752 0.684406 0.945786 V\n0.874039 0.182979 0.448190 V\n0.369221 0.437859 0.193003 V\n0.992290 0.501709 0.506026 V\n0.991500 0.000515 0.008048 V\n0.375993 0.692932 0.931077 V\n0.378497 0.188575 0.432948 V\n0.367928 0.938745 0.693434 V\n0.123928 0.065134 0.810658 O\n0.124907 0.568040 0.307488 O\n0.158067 0.801280 0.571791 O\n0.162562 0.298744 0.075830 O\n0.618531 0.579808 0.801564 O\n0.622189 0.078592 0.298612 O\n0.627279 0.801025 0.040649 O\n0.625952 0.298565 0.538960 O\n0.127017 0.072154 0.329336 O\n0.123869 0.574057 0.826098 O\n0.599028 0.072447 0.801039 O\n0.599866 0.574120 0.301745 O\n0.129017 0.299701 0.571134 O\n0.128802 0.801100 0.070053 O\n0.620985 0.809885 0.568564 F\n0.621899 0.308924 0.068789 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.0995140548131,
"density_atomic": 0.0880265714610642,
"volume": 318.08577268495486,
"volume_molar": 6.841276060222005,
"formula_full": "Li2 V10 O14 F2",
"formula_reduced": "LiV5O7F",
"formula_anonymous": "ABC5D7",
"energy": -237.90869578,
"energy_per_atom": -8.496739135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.36669578,
"band_gap": 0.8420999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.192000Z",
"spacegroup": 8
},
{
"id": "mp-1219143",
"created_at": "2022-09-04T14:44:56.014941Z",
"structure_string": "Sm6 Mn1 Si2 S14\n1.0\n5.054370 -8.754425 0.000000\n5.054370 8.754425 0.000000\n0.000000 0.000000 5.683074\nSm Mn Si S\n6 1 2 14\ndirect\n0.123294 0.765953 0.250081 Sm\n0.234047 0.357342 0.250081 Sm\n0.642658 0.876706 0.250081 Sm\n0.876181 0.232255 0.751380 Sm\n0.767745 0.643926 0.751380 Sm\n0.356074 0.123819 0.751380 Sm\n0.000000 0.000000 0.487405 Mn\n0.333333 0.666667 0.835316 Si\n0.666667 0.333333 0.337587 Si\n0.333333 0.666667 0.465693 S\n0.666667 0.333333 0.967550 S\n0.085867 0.838891 0.729056 S\n0.161109 0.246976 0.729056 S\n0.753024 0.914133 0.729056 S\n0.916008 0.162851 0.244482 S\n0.837149 0.753157 0.244482 S\n0.246843 0.083992 0.244482 S\n0.409850 0.888737 0.981757 S\n0.111263 0.521113 0.981757 S\n0.478887 0.590150 0.981757 S\n0.588747 0.110686 0.484016 S\n0.889314 0.478061 0.484016 S\n0.521939 0.411253 0.484016 S\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sm",
"Mn",
"Si",
"S"
],
"chemical_system": "Mn-S-Si-Sm",
"density": 4.827715723235556,
"density_atomic": 0.04573196600739455,
"volume": 502.9304884089404,
"volume_molar": 13.168339972583423,
"formula_full": "Sm6 Mn1 Si2 S14",
"formula_reduced": "Sm6Mn(SiS7)2",
"formula_anonymous": "AB2C6D14",
"energy": -150.17502366,
"energy_per_atom": -6.529348854782609,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.13302366,
"band_gap": 1.0611999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0001481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.239000Z",
"spacegroup": 143
},
{
"id": "mp-1223201",
"created_at": "2022-09-04T14:44:54.137058Z",
"structure_string": "Li4 Cr16 P12 O48\n1.0\n-6.315776 0.000000 0.000000\n0.000000 0.000000 -10.543955\n0.000000 -14.509984 0.000000\nLi Cr P O\n4 16 12 48\ndirect\n0.144839 0.530827 0.916007 Li\n0.644839 0.969173 0.583993 Li\n0.855161 0.469173 0.416007 Li\n0.355161 0.030827 0.083993 Li\n0.434237 0.647764 0.369510 Cr\n0.934237 0.852236 0.130490 Cr\n0.565763 0.352236 0.869510 Cr\n0.065763 0.147764 0.630490 Cr\n0.577078 0.342047 0.628145 Cr\n0.077078 0.157953 0.871855 Cr\n0.422922 0.657953 0.128145 Cr\n0.922922 0.842047 0.371855 Cr\n0.432255 0.754201 0.750362 Cr\n0.932255 0.745799 0.749638 Cr\n0.567745 0.245799 0.250362 Cr\n0.067745 0.254201 0.249638 Cr\n0.858582 0.459723 0.083189 Cr\n0.358582 0.040277 0.416811 Cr\n0.141418 0.540277 0.583189 Cr\n0.641418 0.959723 0.916811 Cr\n0.137133 0.873501 0.925458 P\n0.637133 0.626499 0.574542 P\n0.862867 0.126499 0.425458 P\n0.362867 0.373501 0.074542 P\n0.863255 0.126714 0.073675 P\n0.363255 0.373286 0.426325 P\n0.136745 0.873286 0.573675 P\n0.636745 0.626714 0.926325 P\n0.495671 0.095844 0.752030 P\n0.995671 0.404156 0.747970 P\n0.504329 0.904156 0.252030 P\n0.004329 0.595844 0.247970 P\n0.059572 0.545035 0.735391 O\n0.559572 0.954965 0.764609 O\n0.940428 0.454965 0.235391 O\n0.440428 0.045035 0.264609 O\n0.329013 0.957955 0.947466 O\n0.829013 0.542045 0.552534 O\n0.670987 0.042045 0.447466 O\n0.170987 0.457955 0.052534 O\n0.667107 0.044246 0.050742 O\n0.167107 0.455754 0.449258 O\n0.332893 0.955754 0.550742 O\n0.832893 0.544246 0.949258 O\n0.460266 0.537038 0.889262 O\n0.960266 0.962962 0.610738 O\n0.539734 0.462962 0.389262 O\n0.039734 0.037038 0.110738 O\n0.537832 0.469039 0.109961 O\n0.037832 0.030961 0.390039 O\n0.462168 0.530961 0.609961 O\n0.962168 0.969039 0.890039 O\n0.061176 0.792120 0.492108 O\n0.561176 0.707880 0.007892 O\n0.938824 0.207880 0.992108 O\n0.438824 0.292120 0.507892 O\n0.939776 0.203825 0.507991 O\n0.439776 0.296175 0.992009 O\n0.060224 0.796175 0.007991 O\n0.560224 0.703825 0.492009 O\n0.181153 0.778369 0.843908 O\n0.681153 0.721631 0.656092 O\n0.818847 0.221631 0.343908 O\n0.318847 0.278369 0.156092 O\n0.813355 0.224983 0.154058 O\n0.313355 0.275017 0.345942 O\n0.186645 0.775017 0.654058 O\n0.686645 0.724983 0.845942 O\n0.415371 0.835482 0.338288 O\n0.915371 0.664518 0.161712 O\n0.584629 0.164518 0.838288 O\n0.084629 0.335482 0.661712 O\n0.589234 0.149040 0.661412 O\n0.089234 0.350960 0.838588 O\n0.410766 0.850960 0.161412 O\n0.910766 0.649040 0.338588 O\n0.245598 0.110416 0.750660 O\n0.745598 0.389584 0.749340 O\n0.754402 0.889584 0.250660 O\n0.254402 0.610416 0.249340 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.435915338136068,
"density_atomic": 0.0827928420719005,
"volume": 966.2671071313738,
"volume_molar": 7.273745663628917,
"formula_full": "Li4 Cr16 P12 O48",
"formula_reduced": "LiCr4(PO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -663.49596995,
"energy_per_atom": -8.293699624375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -598.53596995,
"band_gap": 2.665,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 63.9999944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.895000Z",
"spacegroup": 19
}
]
}