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=12135",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12133",
"results": [
{
"id": "mp-1095752",
"created_at": "2022-09-04T14:39:18.644312Z",
"structure_string": "Cs1 K1 Au2\n1.0\n-6.401265 6.568227 9.312422\n6.401265 -6.568227 9.312422\n6.401265 6.568227 -9.312422\nCs K Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 K\n0.000000 0.240059 0.240059 Au\n0.000000 0.759941 0.759941 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"K",
"Au"
],
"chemical_system": "Au-Cs-K",
"density": 0.600040413327613,
"density_atomic": 0.002554014694207142,
"volume": 1566.1617018385023,
"volume_molar": 235.79115553481532,
"formula_full": "Cs1 K1 Au2",
"formula_reduced": "CsKAu2",
"formula_anonymous": "ABC2",
"energy": -8.09277375,
"energy_per_atom": -2.0231934375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.09277375,
"band_gap": 2.9062,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.075000Z",
"spacegroup": 71
},
{
"id": "mp-1042320",
"created_at": "2022-09-04T14:39:18.648511Z",
"structure_string": "Zn2 Mo4 O14\n1.0\n7.897437 0.000000 0.000000\n0.000000 6.383462 0.000000\n0.000000 2.153400 7.673312\nZn Mo O\n2 4 14\ndirect\n0.181028 0.075340 0.339204 Zn\n0.681028 0.924660 0.660796 Zn\n0.121017 0.922473 0.799470 Mo\n0.621017 0.077527 0.200530 Mo\n0.683659 0.383966 0.772738 Mo\n0.183659 0.616034 0.227262 Mo\n0.368087 0.586255 0.345449 O\n0.868087 0.413745 0.654551 O\n0.713169 0.051512 0.410432 O\n0.213169 0.948488 0.589568 O\n0.072273 0.360481 0.284471 O\n0.572273 0.639519 0.715529 O\n0.398612 0.131608 0.211171 O\n0.898612 0.868392 0.788829 O\n0.064882 0.835333 0.272306 O\n0.564882 0.164667 0.727694 O\n0.228972 0.701983 0.981612 O\n0.728972 0.298017 0.018388 O\n0.143246 0.164135 0.853007 O\n0.643246 0.835865 0.146993 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 3.1704084776530252,
"density_atomic": 0.051701684244035616,
"volume": 386.8345933490016,
"volume_molar": 11.647861859925236,
"formula_full": "Zn2 Mo4 O14",
"formula_reduced": "ZnMo2O7",
"formula_anonymous": "AB2C7",
"energy": -152.37169579,
"energy_per_atom": -7.6185847895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.94569579,
"band_gap": 3.6987,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005252,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.145000Z",
"spacegroup": 4
},
{
"id": "mp-34477",
"created_at": "2022-09-04T14:39:18.674661Z",
"structure_string": "Li2 Sm2 S4\n1.0\n-2.780560 2.780560 5.653922\n2.780560 -2.780560 5.653922\n2.780560 2.780560 -5.653922\nLi Sm S\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Sm\n0.752891 0.752891 0.000000 S\n0.502891 0.002891 0.500000 S\n0.247109 0.247109 0.000000 S\n0.997109 0.497109 0.500000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Sm",
"S"
],
"chemical_system": "Li-S-Sm",
"density": 4.20574724004688,
"density_atomic": 0.04575258548134,
"volume": 174.85350643763655,
"volume_molar": 13.162405351837668,
"formula_full": "Li2 Sm2 S4",
"formula_reduced": "LiSmS2",
"formula_anonymous": "ABC2",
"energy": -46.1857609,
"energy_per_atom": -5.7732201125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.1737609,
"band_gap": 1.9214,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.96e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.171000Z",
"spacegroup": 141
},
{
"id": "mp-1187163",
"created_at": "2022-09-04T14:39:21.207768Z",
"structure_string": "Sr6 Yb2\n1.0\n4.185441 -7.249397 0.000000\n4.185441 7.249397 0.000000\n0.000000 0.000000 6.819179\nSr Yb\n6 2\ndirect\n0.168274 0.336548 0.250000 Sr\n0.663452 0.831726 0.250000 Sr\n0.168274 0.831726 0.250000 Sr\n0.831726 0.663452 0.750000 Sr\n0.336548 0.168274 0.750000 Sr\n0.831726 0.168274 0.750000 Sr\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Yb"
],
"chemical_system": "Sr-Yb",
"density": 3.498329947307959,
"density_atomic": 0.019332356388981297,
"volume": 413.81401413433974,
"volume_molar": 31.150578019720292,
"formula_full": "Sr6 Yb2",
"formula_reduced": "Sr3Yb",
"formula_anonymous": "AB3",
"energy": -12.88675582,
"energy_per_atom": -1.6108444775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.88675582,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0139106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.236000Z",
"spacegroup": 194
},
{
"id": "mp-531041",
"created_at": "2022-09-04T14:39:18.519392Z",
"structure_string": "Mg10 Fe20 O40\n1.0\n5.135927 0.000022 2.909811\n1.709112 4.829460 2.914805\n0.006017 0.034365 29.090380\nMg Fe O\n10 20 40\ndirect\n0.978767 0.008405 0.003234 Mg\n0.122375 0.627993 0.125434 Mg\n0.624571 0.128366 0.124907 Mg\n0.124379 0.624425 0.325375 Mg\n0.624399 0.124636 0.325342 Mg\n0.125492 0.625276 0.524722 Mg\n0.625343 0.125212 0.524755 Mg\n0.127690 0.621976 0.723765 Mg\n0.624716 0.123215 0.724146 Mg\n0.127779 0.621120 0.925320 Mg\n0.256417 0.259212 0.049079 Fe\n0.990177 0.990557 0.202605 Fe\n0.258900 0.260199 0.248409 Fe\n0.991136 0.990227 0.401787 Fe\n0.622952 0.641683 0.024469 Fe\n0.624373 0.627356 0.126396 Fe\n0.258797 0.259753 0.448298 Fe\n0.991902 0.990476 0.601151 Fe\n0.624207 0.625673 0.225908 Fe\n0.624336 0.624534 0.325342 Fe\n0.624854 0.624884 0.425114 Fe\n0.259371 0.259002 0.647700 Fe\n0.997601 0.999469 0.797468 Fe\n0.625468 0.625238 0.524617 Fe\n0.626104 0.624605 0.624067 Fe\n0.258770 0.241060 0.849492 Fe\n0.624301 0.622951 0.722672 Fe\n0.629536 0.112755 0.925739 Fe\n0.626854 0.619617 0.824668 Fe\n0.622424 0.635435 0.928494 Fe\n0.394205 0.404633 0.071511 O\n0.394193 0.395913 0.169405 O\n0.399416 0.853515 0.076753 O\n0.847229 0.410101 0.074990 O\n0.393383 0.394285 0.273460 O\n0.398920 0.850693 0.176302 O\n0.848932 0.400098 0.176327 O\n0.393959 0.393663 0.369557 O\n0.398723 0.849519 0.275690 O\n0.848249 0.853437 0.084011 O\n0.848894 0.399280 0.275731 O\n0.854086 0.857402 0.178149 O\n0.393983 0.394466 0.472986 O\n0.400972 0.849296 0.375082 O\n0.848910 0.400888 0.375223 O\n0.400390 0.849148 0.474918 O\n0.854535 0.855123 0.281308 O\n0.395008 0.394385 0.568936 O\n0.849028 0.400041 0.475055 O\n0.855711 0.855231 0.377203 O\n0.396308 0.393635 0.671974 O\n0.401667 0.850335 0.574251 O\n0.394082 0.389657 0.769229 O\n0.850916 0.400964 0.574297 O\n0.399481 0.848311 0.673663 O\n0.855776 0.856066 0.480513 O\n0.849652 0.397582 0.673789 O\n0.856753 0.855754 0.576506 O\n0.397826 0.361414 0.877284 O\n0.395904 0.849616 0.772243 O\n0.403814 0.366893 0.968951 O\n0.856200 0.394922 0.771026 O\n0.854954 0.854247 0.680018 O\n0.395880 0.845203 0.874045 O\n0.859349 0.354184 0.877005 O\n0.862513 0.852417 0.776378 O\n0.393539 0.885190 0.976252 O\n0.853368 0.414638 0.977028 O\n0.861496 0.879214 0.878772 O\n0.847804 0.873331 0.973703 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.6052649450080585,
"density_atomic": 0.09707102973740739,
"volume": 721.121432309528,
"volume_molar": 6.203849672029699,
"formula_full": "Mg10 Fe20 O40",
"formula_reduced": "Mg(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -522.37886569,
"energy_per_atom": -7.462555224142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -449.77886569,
"band_gap": 0.1487999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 100.0001487,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.939000Z",
"spacegroup": 1
},
{
"id": "mp-1219530",
"created_at": "2022-09-04T14:39:18.532097Z",
"structure_string": "Sb28 Mo9 Ru3\n1.0\n4.787968 6.814683 0.000000\n-4.787968 6.814683 0.000000\n0.000000 0.043242 13.616847\nSb Mo Ru\n28 9 3\ndirect\n0.827319 0.499415 0.500426 Sb\n0.326279 0.000470 0.999886 Sb\n0.000188 0.675060 0.000128 Sb\n0.500640 0.175113 0.500226 Sb\n0.337752 0.663131 0.337523 Sb\n0.837941 0.162651 0.838227 Sb\n0.837855 0.163536 0.161957 Sb\n0.338061 0.662264 0.662649 Sb\n0.175113 0.500640 0.500226 Sb\n0.675060 0.000188 0.000128 Sb\n0.000470 0.326279 0.999886 Sb\n0.499415 0.827319 0.500426 Sb\n0.163536 0.837855 0.161957 Sb\n0.662264 0.338061 0.662649 Sb\n0.663131 0.337752 0.337523 Sb\n0.162651 0.837941 0.838227 Sb\n0.626693 0.626693 0.124747 Sb\n0.123588 0.123588 0.624426 Sb\n0.374012 0.374012 0.127963 Sb\n0.875002 0.875002 0.626886 Sb\n0.001890 0.501299 0.249744 Sb\n0.501050 0.000590 0.751015 Sb\n0.125859 0.125859 0.375580 Sb\n0.626882 0.626882 0.874505 Sb\n0.874777 0.874777 0.372390 Sb\n0.372901 0.372901 0.873842 Sb\n0.501299 0.001890 0.249744 Sb\n0.000590 0.501050 0.751015 Sb\n0.170618 0.170618 0.828880 Mo\n0.840615 0.157950 0.499456 Mo\n0.342504 0.657750 0.000378 Mo\n0.327066 0.327066 0.328195 Mo\n0.826949 0.826949 0.827499 Mo\n0.827826 0.827826 0.172019 Mo\n0.328272 0.328272 0.670210 Mo\n0.657750 0.342504 0.000378 Mo\n0.157950 0.840615 0.499456 Mo\n0.169396 0.169396 0.170250 Ru\n0.669720 0.669720 0.668438 Ru\n0.669119 0.669119 0.330943 Ru\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sb",
"Mo",
"Ru"
],
"chemical_system": "Mo-Ru-Sb",
"density": 8.551197101211931,
"density_atomic": 0.04501492597410226,
"volume": 888.5941525931328,
"volume_molar": 13.37809766357191,
"formula_full": "Sb28 Mo9 Ru3",
"formula_reduced": "Sb28(Mo3Ru)3",
"formula_anonymous": "A3B9C28",
"energy": -250.12183109,
"energy_per_atom": -6.25304577725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -244.74583109,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.217000Z",
"spacegroup": 8
},
{
"id": "mp-768628",
"created_at": "2022-09-04T14:39:18.534770Z",
"structure_string": "Li10 Mn4 P6 O24\n1.0\n8.506240 0.000000 0.000000\n4.145343 7.458852 0.000000\n4.190719 2.528183 8.033464\nLi Mn P O\n10 4 6 24\ndirect\n0.975792 0.232119 0.173043 Li\n0.208779 0.738241 0.077762 Li\n0.654363 0.923100 0.154637 Li\n0.240946 0.545110 0.366345 Li\n0.684397 0.353001 0.378064 Li\n0.315603 0.646999 0.621936 Li\n0.759054 0.454890 0.633655 Li\n0.345637 0.076900 0.845363 Li\n0.791221 0.261759 0.922238 Li\n0.024208 0.767881 0.826957 Li\n0.140518 0.142398 0.551241 Mn\n0.354121 0.341597 0.964306 Mn\n0.645879 0.658403 0.035694 Mn\n0.859482 0.857602 0.448759 Mn\n0.051140 0.455461 0.745887 P\n0.548858 0.248826 0.257706 P\n0.261216 0.942376 0.237539 P\n0.738784 0.057624 0.762461 P\n0.451142 0.751174 0.742294 P\n0.948860 0.544539 0.254113 P\n0.247798 0.111045 0.070801 O\n0.157708 0.029649 0.379002 O\n0.947531 0.410553 0.433391 O\n0.153206 0.519465 0.133573 O\n0.149282 0.249925 0.743278 O\n0.574334 0.210415 0.099605 O\n0.152494 0.827741 0.252215 O\n0.393922 0.192390 0.405853 O\n0.155113 0.513249 0.806531 O\n0.501765 0.462211 0.226809 O\n0.747238 0.149040 0.290573 O\n0.466770 0.810784 0.233622 O\n0.533230 0.189216 0.766378 O\n0.252762 0.850960 0.709427 O\n0.498235 0.537789 0.773191 O\n0.844887 0.486751 0.193469 O\n0.606078 0.807610 0.594147 O\n0.847506 0.172259 0.747785 O\n0.425666 0.789585 0.900395 O\n0.850718 0.750075 0.256722 O\n0.846794 0.480535 0.866427 O\n0.052469 0.589447 0.566609 O\n0.842292 0.970351 0.620998 O\n0.752202 0.888955 0.929199 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.79849741260195,
"density_atomic": 0.08632571870893206,
"volume": 509.6974651129936,
"volume_molar": 6.976067908921902,
"formula_full": "Li10 Mn4 P6 O24",
"formula_reduced": "Li5Mn2(PO4)3",
"formula_anonymous": "A2B3C5D12",
"energy": -320.77674634000005,
"energy_per_atom": -7.290380598636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -297.61674634,
"band_gap": 3.6014000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9994708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.929000Z",
"spacegroup": 2
},
{
"id": "mp-1036604",
"created_at": "2022-09-04T14:39:18.541273Z",
"structure_string": "Mg14 Al1 Si1 O16\n1.0\n4.215412 0.000000 0.000000\n0.000000 8.463547 0.000000\n0.000000 0.000000 8.909683\nMg Al Si O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.249299 Mg\n0.500000 0.000000 0.750701 Mg\n0.500000 0.500000 0.250384 Mg\n0.500000 0.500000 0.749616 Mg\n0.500000 0.250350 0.000000 Mg\n0.500000 0.252128 0.500000 Mg\n0.500000 0.749650 0.000000 Mg\n0.500000 0.747872 0.500000 Mg\n0.000000 0.246612 0.251048 Mg\n0.000000 0.246612 0.748952 Mg\n0.000000 0.753388 0.251048 Mg\n0.000000 0.753388 0.748952 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Si\n0.000000 0.243808 0.000000 O\n0.000000 0.262687 0.500000 O\n0.000000 0.756192 0.000000 O\n0.000000 0.737313 0.500000 O\n0.500000 0.248908 0.251068 O\n0.500000 0.248908 0.748932 O\n0.500000 0.751092 0.251068 O\n0.500000 0.751092 0.748932 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.198952 O\n0.000000 0.000000 0.801048 O\n0.000000 0.500000 0.244653 O\n0.000000 0.500000 0.755347 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Mg-O-Si",
"density": 3.402465900666935,
"density_atomic": 0.10066889187921847,
"volume": 317.8737681784883,
"volume_molar": 5.982126799632705,
"formula_full": "Mg14 Al1 Si1 O16",
"formula_reduced": "Mg14AlSiO16",
"formula_anonymous": "ABC14D16",
"energy": -201.46216288,
"energy_per_atom": -6.29569259,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.47016288,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9065123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.952000Z",
"spacegroup": 47
},
{
"id": "mp-982637",
"created_at": "2022-09-04T14:39:18.543777Z",
"structure_string": "Na3 Mg1\n1.0\n-2.470776 2.470776 5.232470\n2.470776 -2.470776 5.232470\n2.470776 2.470776 -5.232470\nNa Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Na\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.2122093954974469,
"density_atomic": 0.0313059224211034,
"volume": 127.77135093465861,
"volume_molar": 19.236426510596793,
"formula_full": "Na3 Mg1",
"formula_reduced": "Na3Mg",
"formula_anonymous": "AB3",
"energy": -5.19285509,
"energy_per_atom": -1.2982137725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.19285509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.202000Z",
"spacegroup": 139
},
{
"id": "mp-1206236",
"created_at": "2022-09-04T14:39:18.547049Z",
"structure_string": "U4 Ru2\n1.0\n0.000000 3.878306 0.000000\n0.131974 0.000000 3.847739\n7.687137 -1.939153 -0.475644\nU Ru\n4 2\ndirect\n0.160400 0.498776 0.320799 U\n0.839600 0.501224 0.679201 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 U\n0.329143 0.003876 0.658285 Ru\n0.670857 0.996124 0.341715 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Ru"
],
"chemical_system": "Ru-U",
"density": 16.67316667746567,
"density_atomic": 0.05219371854990738,
"volume": 114.9563619281663,
"volume_molar": 11.538056546482043,
"formula_full": "U4 Ru2",
"formula_reduced": "U2Ru",
"formula_anonymous": "AB2",
"energy": -63.89156614,
"energy_per_atom": -10.648594356666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.89156614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6464262,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.267000Z",
"spacegroup": 65
},
{
"id": "mp-1215516",
"created_at": "2022-09-04T14:39:20.064555Z",
"structure_string": "Yb4 Sm1 S5\n1.0\n-1.989636 2.822228 10.040326\n1.989636 -2.822228 10.040326\n1.989636 2.822228 -10.040326\nYb Sm S\n4 1 5\ndirect\n0.101103 0.601103 0.500000 Yb\n0.700706 0.200706 0.500000 Yb\n0.299294 0.799294 0.500000 Yb\n0.898897 0.398897 0.500000 Yb\n0.500000 0.000000 0.500000 Sm\n0.800377 0.800377 0.000000 S\n0.398992 0.398992 0.000000 S\n0.000000 0.000000 0.000000 S\n0.601009 0.601008 0.000000 S\n0.199623 0.199623 0.000000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Sm",
"S"
],
"chemical_system": "S-Sm-Yb",
"density": 7.384300790838532,
"density_atomic": 0.04434314255141782,
"volume": 225.51401241814472,
"volume_molar": 13.580771261344555,
"formula_full": "Yb4 Sm1 S5",
"formula_reduced": "Yb4SmS5",
"formula_anonymous": "AB4C5",
"energy": -56.01138839,
"energy_per_atom": -5.601138839,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.49638839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062659,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.721000Z",
"spacegroup": 71
},
{
"id": "mp-554191",
"created_at": "2022-09-04T14:39:18.522191Z",
"structure_string": "Na4 U2 O8\n1.0\n3.525533 0.000000 0.000000\n0.000000 5.768030 0.000000\n0.000000 0.000000 9.909688\nNa U O\n4 2 8\ndirect\n0.500000 0.443034 0.182867 Na\n0.500000 0.056966 0.682867 Na\n0.500000 0.943034 0.317133 Na\n0.500000 0.556966 0.817133 Na\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.000000 0.355422 0.677014 O\n0.500000 0.291374 0.446917 O\n0.000000 0.855422 0.822986 O\n0.500000 0.708626 0.553083 O\n0.000000 0.644578 0.322986 O\n0.500000 0.208626 0.946917 O\n0.000000 0.144578 0.177014 O\n0.500000 0.791374 0.053083 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"U",
"O"
],
"chemical_system": "Na-O-U",
"density": 5.73526658624115,
"density_atomic": 0.06947295308033964,
"volume": 201.51727225140658,
"volume_molar": 8.66832413620866,
"formula_full": "Na4 U2 O8",
"formula_reduced": "Na2UO4",
"formula_anonymous": "AB2C4",
"energy": -109.85243794,
"energy_per_atom": -7.84660271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.35643794,
"band_gap": 1.8660000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003131,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.134000Z",
"spacegroup": 55
}
]
}