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=-is_stable&page=12194",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12192",
"results": [
{
"id": "mp-1186159",
"created_at": "2022-09-04T14:39:17.066838Z",
"structure_string": "Np2 Ag6\n1.0\n3.247066 -5.624083 0.000000\n3.247066 5.624083 0.000000\n0.000000 0.000000 4.861963\nNp Ag\n2 6\ndirect\n0.666667 0.333333 0.250000 Np\n0.333333 0.666667 0.750000 Np\n0.152755 0.847245 0.250000 Ag\n0.694491 0.847245 0.250000 Ag\n0.152755 0.305509 0.250000 Ag\n0.847245 0.152755 0.750000 Ag\n0.305509 0.152755 0.750000 Ag\n0.847245 0.694491 0.750000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Np",
"Ag"
],
"chemical_system": "Ag-Np",
"density": 10.484585542738115,
"density_atomic": 0.04505111086883671,
"volume": 177.57608737532496,
"volume_molar": 13.367352422303323,
"formula_full": "Np2 Ag6",
"formula_reduced": "NpAg3",
"formula_anonymous": "AB3",
"energy": -40.24565994,
"energy_per_atom": -5.0307074925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.24565994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.8921201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.660000Z",
"spacegroup": 194
},
{
"id": "mp-1206068",
"created_at": "2022-09-04T14:39:17.070318Z",
"structure_string": "In1 Bi2 S4 Br1\n1.0\n1.974005 6.385757 0.000000\n-1.974005 6.385757 0.000000\n0.000000 3.970209 8.112339\nIn Bi S Br\n1 2 4 1\ndirect\n0.000000 0.000000 0.000000 In\n0.790943 0.790943 0.742503 Bi\n0.209057 0.209057 0.257497 Bi\n0.836025 0.836025 0.304245 S\n0.163975 0.163975 0.695755 S\n0.622233 0.622233 0.056364 S\n0.377767 0.377767 0.943636 S\n0.500000 0.500000 0.500000 Br\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Bi",
"S",
"Br"
],
"chemical_system": "Bi-Br-In-S",
"density": 6.015850800610107,
"density_atomic": 0.03911589431729681,
"volume": 204.52044212785515,
"volume_molar": 15.39563613489222,
"formula_full": "In1 Bi2 S4 Br1",
"formula_reduced": "InBi2S4Br",
"formula_anonymous": "ABC2D4",
"energy": -35.05303979,
"energy_per_atom": -4.38162997375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.50703979,
"band_gap": 1.6270000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.304000Z",
"spacegroup": 12
},
{
"id": "mp-979953",
"created_at": "2022-09-04T14:39:17.074340Z",
"structure_string": "Yb3 Ta1\n1.0\n-2.466139 2.466139 4.832337\n2.466139 -2.466139 4.832337\n2.466139 2.466139 -4.832337\nYb Ta\n3 1\ndirect\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ta"
],
"chemical_system": "Ta-Yb",
"density": 9.888648549941793,
"density_atomic": 0.03402574819715989,
"volume": 117.55803213561305,
"volume_molar": 17.69877542473163,
"formula_full": "Yb3 Ta1",
"formula_reduced": "Yb3Ta",
"formula_anonymous": "AB3",
"energy": -13.84765765,
"energy_per_atom": -3.4619144125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.84765765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9197779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.076000Z",
"spacegroup": 139
},
{
"id": "mp-20705",
"created_at": "2022-09-04T14:39:17.079991Z",
"structure_string": "U4 Sn2 Ru4\n1.0\n7.570133 0.000000 0.000000\n0.000000 7.570133 0.000000\n0.000000 0.000000 3.508846\nU Sn Ru\n4 2 4\ndirect\n0.334638 0.834638 0.500000 U\n0.834638 0.665362 0.500000 U\n0.165362 0.334638 0.500000 U\n0.665362 0.165362 0.500000 U\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.362321 0.137679 0.000000 Ru\n0.862321 0.362321 0.000000 Ru\n0.137679 0.637679 0.000000 Ru\n0.637679 0.862321 0.000000 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"U",
"Sn",
"Ru"
],
"chemical_system": "Ru-Sn-U",
"density": 13.161817190155087,
"density_atomic": 0.049731169537207576,
"volume": 201.08113468995052,
"volume_molar": 12.10938897283401,
"formula_full": "U4 Sn2 Ru4",
"formula_reduced": "U2SnRu2",
"formula_anonymous": "AB2C2",
"energy": -93.30530568,
"energy_per_atom": -9.330530568,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.30530568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.65e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.858000Z",
"spacegroup": 127
},
{
"id": "mp-849806",
"created_at": "2022-09-04T14:39:17.081169Z",
"structure_string": "Li14 Mn8 P16 O56\n1.0\n9.905797 0.000000 0.000000\n-0.059583 9.911210 0.000000\n-0.022938 -2.486635 11.069353\nLi Mn P O\n14 8 16 56\ndirect\n0.288233 0.114543 0.449881 Li\n0.893868 0.085343 0.028352 Li\n0.091173 0.345203 0.956375 Li\n0.587903 0.150220 0.042582 Li\n0.391052 0.414976 0.969775 Li\n0.078018 0.329424 0.454784 Li\n0.774707 0.381202 0.552369 Li\n0.222286 0.612296 0.448858 Li\n0.921047 0.669959 0.546872 Li\n0.606195 0.585892 0.027672 Li\n0.907850 0.657068 0.041563 Li\n0.110720 0.912594 0.972527 Li\n0.427821 0.838262 0.461583 Li\n0.718594 0.895979 0.553708 Li\n0.081115 0.203311 0.675661 Mn\n0.783324 0.253219 0.821150 Mn\n0.285288 0.240734 0.173621 Mn\n0.573380 0.293815 0.332885 Mn\n0.419357 0.706071 0.682463 Mn\n0.710605 0.758581 0.825737 Mn\n0.216746 0.744302 0.173993 Mn\n0.920181 0.799375 0.325941 Mn\n0.545659 0.024005 0.755882 P\n0.294823 0.117171 0.891090 P\n0.069031 0.058526 0.244114 P\n0.848566 0.124276 0.425307 P\n0.351542 0.378938 0.573037 P\n0.568933 0.441609 0.757039 P\n0.950785 0.525455 0.759875 P\n0.794367 0.380905 0.108101 P\n0.205105 0.618779 0.890176 P\n0.047175 0.474449 0.239549 P\n0.432689 0.557972 0.243251 P\n0.649022 0.622341 0.426142 P\n0.150612 0.877204 0.574270 P\n0.932516 0.940125 0.756675 P\n0.705687 0.880632 0.108583 P\n0.452767 0.972725 0.241200 P\n0.584135 0.022114 0.628123 O\n0.162014 0.023497 0.553339 O\n0.913546 0.085322 0.730870 O\n0.638211 0.110455 0.855008 O\n0.398557 0.092876 0.776381 O\n0.173461 0.186995 0.844505 O\n0.366419 0.223321 0.996579 O\n0.724303 0.019326 0.076174 O\n0.922652 0.112437 0.295290 O\n0.065793 0.063609 0.111853 O\n0.467761 0.122959 0.216419 O\n0.713681 0.191919 0.411812 O\n0.174590 0.163308 0.313147 O\n0.936014 0.223606 0.518717 O\n0.428190 0.282341 0.473482 O\n0.681144 0.344820 0.695464 O\n0.210300 0.317015 0.583067 O\n0.962858 0.377700 0.787075 O\n0.424432 0.382431 0.701116 O\n0.560695 0.439001 0.889520 O\n0.221992 0.480852 0.924949 O\n0.864163 0.277083 0.002009 O\n0.669719 0.316861 0.153709 O\n0.898544 0.405369 0.223240 O\n0.414534 0.412714 0.270814 O\n0.137543 0.384845 0.143829 O\n0.913245 0.521902 0.629317 O\n0.657175 0.473712 0.444240 O\n0.342327 0.531046 0.561037 O\n0.085506 0.476754 0.369689 O\n0.859600 0.615964 0.854881 O\n0.585119 0.587542 0.729073 O\n0.098422 0.595189 0.776636 O\n0.327888 0.677578 0.840405 O\n0.134769 0.721968 0.996876 O\n0.776745 0.519946 0.075930 O\n0.435169 0.561583 0.111181 O\n0.580118 0.614152 0.295029 O\n0.037484 0.623501 0.214095 O\n0.789994 0.684916 0.418394 O\n0.326854 0.661979 0.310820 O\n0.563742 0.722956 0.518056 O\n0.064657 0.774782 0.482374 O\n0.827383 0.834881 0.687351 O\n0.290593 0.812187 0.583201 O\n0.535972 0.872992 0.780791 O\n0.935683 0.935698 0.888922 O\n0.080107 0.886649 0.704586 O\n0.269684 0.981922 0.923492 O\n0.645172 0.771583 0.002731 O\n0.830893 0.820776 0.157759 O\n0.599288 0.901709 0.221102 O\n0.355175 0.888939 0.148367 O\n0.087731 0.912434 0.269082 O\n0.837789 0.976651 0.444861 O\n0.415624 0.975296 0.370656 O\n",
"nsites": 94,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9462422753768225,
"density_atomic": 0.08649470354651129,
"volume": 1086.7717460809938,
"volume_molar": 6.962438754139066,
"formula_full": "Li14 Mn8 P16 O56",
"formula_reduced": "Li7Mn4(P2O7)4",
"formula_anonymous": "A4B7C8D28",
"energy": -711.13448613,
"energy_per_atom": -7.565260490744681,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -659.31848613,
"band_gap": 0.149,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.9981277,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.285000Z",
"spacegroup": 1
},
{
"id": "mp-1105632",
"created_at": "2022-09-04T14:39:17.083894Z",
"structure_string": "Ca2 Zn2 Si2 O10\n1.0\n8.093951 2.530645 0.000000\n-8.093951 2.530645 0.000000\n0.000000 1.275206 5.287358\nCa Zn Si O\n2 2 2 10\ndirect\n0.236998 0.092445 0.118192 Ca\n0.092445 0.236998 0.618192 Ca\n0.762949 0.259634 0.995243 Zn\n0.259634 0.762949 0.495243 Zn\n0.645448 0.369821 0.510889 Si\n0.369821 0.645448 0.010889 Si\n0.810274 0.866661 0.344953 O\n0.866661 0.810274 0.844953 O\n0.693785 0.982371 0.923077 O\n0.982371 0.693785 0.423077 O\n0.586111 0.172472 0.339527 O\n0.172472 0.586111 0.839527 O\n0.548638 0.227217 0.808808 O\n0.227217 0.548638 0.308808 O\n0.440781 0.346396 0.443312 O\n0.346396 0.440781 0.943312 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ca",
"Zn",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Zn",
"density": 3.274596657374607,
"density_atomic": 0.07386853276240365,
"volume": 216.60102619695468,
"volume_molar": 8.152511678240678,
"formula_full": "Ca2 Zn2 Si2 O10",
"formula_reduced": "CaZnSiO5",
"formula_anonymous": "ABCD5",
"energy": -104.59465099,
"energy_per_atom": -6.537165686875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.72465099,
"band_gap": 0.1781,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9995423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.155000Z",
"spacegroup": 9
},
{
"id": "mp-1192444",
"created_at": "2022-09-04T14:39:17.086310Z",
"structure_string": "Tb11 In9 Pd4\n1.0\n7.516892 -10.860844 0.000000\n7.516892 10.860844 0.000000\n0.000000 0.000000 3.686699\nTb In Pd\n11 9 4\ndirect\n0.417914 0.071331 0.000000 Tb\n0.582086 0.928669 0.000000 Tb\n0.071331 0.417914 0.000000 Tb\n0.928669 0.582086 0.000000 Tb\n0.158244 0.841756 0.000000 Tb\n0.841756 0.158244 0.000000 Tb\n0.371716 0.628284 0.000000 Tb\n0.628284 0.371716 0.000000 Tb\n0.308595 0.308595 0.000000 Tb\n0.691405 0.691405 0.000000 Tb\n0.000000 0.000000 0.000000 Tb\n0.366365 0.842302 0.500000 In\n0.633635 0.157698 0.500000 In\n0.842302 0.366365 0.500000 In\n0.157698 0.633635 0.500000 In\n0.217135 0.072907 0.500000 In\n0.782865 0.927093 0.500000 In\n0.072907 0.217135 0.500000 In\n0.927093 0.782865 0.500000 In\n0.500000 0.500000 0.500000 In\n0.450962 0.248302 0.500000 Pd\n0.549038 0.751698 0.500000 Pd\n0.248302 0.450962 0.500000 Pd\n0.751698 0.549038 0.500000 Pd\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"In",
"Pd"
],
"chemical_system": "In-Pd-Tb",
"density": 8.847252068294974,
"density_atomic": 0.03986958165070723,
"volume": 601.9626744584683,
"volume_molar": 15.104599824395637,
"formula_full": "Tb11 In9 Pd4",
"formula_reduced": "Tb11In9Pd4",
"formula_anonymous": "A4B9C11",
"energy": -112.47263332,
"energy_per_atom": -4.686359721666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.47263332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0098081,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.485000Z",
"spacegroup": 65
},
{
"id": "mp-558946",
"created_at": "2022-09-04T14:39:17.151549Z",
"structure_string": "Ba4 Sb4 Se8 F4\n1.0\n-6.314800 0.000000 0.000000\n-0.011811 -6.450520 0.000000\n0.970935 1.137412 14.195401\nBa Sb Se F\n4 4 8 4\ndirect\n0.269992 0.522633 0.607170 Ba\n0.229800 0.984357 0.393345 Ba\n0.730008 0.477367 0.392830 Ba\n0.770200 0.015643 0.606655 Ba\n0.736333 0.971121 0.127238 Sb\n0.232164 0.378969 0.127723 Sb\n0.263667 0.028879 0.872762 Sb\n0.767836 0.621031 0.872277 Sb\n0.345866 0.629784 0.884785 Se\n0.285436 0.039852 0.695782 Se\n0.216363 0.469576 0.303497 Se\n0.654134 0.370216 0.115215 Se\n0.783637 0.530424 0.696503 Se\n0.837994 0.025263 0.872614 Se\n0.162006 0.974737 0.127386 Se\n0.714564 0.960148 0.304218 Se\n0.999734 0.253089 0.501668 F\n0.500042 0.249086 0.501567 F\n0.499958 0.750914 0.498433 F\n0.000266 0.746911 0.498332 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Sb",
"Se",
"F"
],
"chemical_system": "Ba-F-Sb-Se",
"density": 5.008399556805891,
"density_atomic": 0.03458820338287702,
"volume": 578.2318259959421,
"volume_molar": 17.41096724029695,
"formula_full": "Ba4 Sb4 Se8 F4",
"formula_reduced": "BaSbSe2F",
"formula_anonymous": "ABCD2",
"energy": -99.63072129,
"energy_per_atom": -4.9815360645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.00672129,
"band_gap": 1.3342999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007263,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.726000Z",
"spacegroup": 2
},
{
"id": "mp-1209081",
"created_at": "2022-09-04T14:39:17.304178Z",
"structure_string": "Sr4 Ca2 Fe4 Bi4 O18\n1.0\n5.335754 0.000000 0.000000\n0.000000 0.000000 5.592539\n-2.667877 -16.307143 0.000000\nSr Ca Fe Bi O\n4 2 4 4 18\ndirect\n0.368001 0.242634 0.736002 Sr\n0.631999 0.757366 0.263998 Sr\n0.131999 0.242634 0.263998 Sr\n0.868001 0.757366 0.736002 Sr\n0.750000 0.781273 0.500000 Ca\n0.250000 0.218727 0.500000 Ca\n0.809295 0.255596 0.618590 Fe\n0.190705 0.744404 0.381410 Fe\n0.690705 0.255596 0.381410 Fe\n0.309295 0.744404 0.618590 Fe\n0.954745 0.271140 0.909491 Bi\n0.045255 0.728860 0.090509 Bi\n0.545255 0.271140 0.090509 Bi\n0.454745 0.728860 0.909491 Bi\n0.064323 0.000000 0.628645 O\n0.935677 0.000000 0.371355 O\n0.435677 0.000000 0.371355 O\n0.564323 0.000000 0.628645 O\n0.891691 0.223056 0.783381 O\n0.108309 0.776944 0.216619 O\n0.608309 0.223056 0.216619 O\n0.391691 0.776944 0.783381 O\n0.069288 0.500000 0.638575 O\n0.930712 0.500000 0.361425 O\n0.430712 0.500000 0.361425 O\n0.569288 0.500000 0.638575 O\n0.750000 0.251082 0.500000 O\n0.250000 0.748918 0.500000 O\n0.953652 0.653351 0.907305 O\n0.046348 0.346649 0.092695 O\n0.546348 0.653351 0.092695 O\n0.453652 0.346649 0.907305 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Fe-O-Sr",
"density": 6.067087721655511,
"density_atomic": 0.06576082889478427,
"volume": 486.61187119765816,
"volume_molar": 9.157641199497771,
"formula_full": "Sr4 Ca2 Fe4 Bi4 O18",
"formula_reduced": "Sr2CaFe2Bi2O9",
"formula_anonymous": "AB2C2D2E9",
"energy": -218.98667299,
"energy_per_atom": -6.8433335309375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.59667299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.561116,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.618000Z",
"spacegroup": 67
},
{
"id": "mp-1218538",
"created_at": "2022-09-04T14:39:17.307327Z",
"structure_string": "Sr4 Zn1 Ir3 O12\n1.0\n5.643133 0.000000 0.000000\n0.005145 5.674011 0.000000\n0.012685 0.059837 7.964171\nSr Zn Ir O\n4 1 3 12\ndirect\n0.497233 0.534227 0.757821 Sr\n0.009640 0.038441 0.758468 Sr\n0.502767 0.465773 0.242179 Sr\n0.990360 0.961559 0.241532 Sr\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.225109 0.790202 0.970374 O\n0.298010 0.299046 0.538039 O\n0.798375 0.202921 0.463458 O\n0.707441 0.723924 0.032460 O\n0.774891 0.209798 0.029626 O\n0.701990 0.700954 0.461961 O\n0.201625 0.797079 0.536542 O\n0.292559 0.276076 0.967540 O\n0.573792 0.987364 0.751054 O\n0.940100 0.493024 0.740580 O\n0.426208 0.012636 0.248946 O\n0.059900 0.506976 0.259420 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Zn",
"Ir",
"O"
],
"chemical_system": "Ir-O-Sr-Zn",
"density": 7.713387552979672,
"density_atomic": 0.0784294121640668,
"volume": 255.00637386089187,
"volume_molar": 7.678421390437378,
"formula_full": "Sr4 Zn1 Ir3 O12",
"formula_reduced": "Sr4Zn(IrO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -135.80252801,
"energy_per_atom": -6.7901264005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.55852801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9544652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.209000Z",
"spacegroup": 2
},
{
"id": "mp-1173724",
"created_at": "2022-09-04T14:39:17.308850Z",
"structure_string": "Na4 Gd8 N2 Cl18 O2\n1.0\n8.192695 -0.151328 0.000000\n-2.469181 8.944306 0.000000\n0.000000 0.000000 11.136513\nNa Gd N Cl O\n4 8 2 18 2\ndirect\n0.221441 0.428110 0.989583 Na\n0.222762 0.428552 0.512398 Na\n0.778559 0.571890 0.489583 Na\n0.777238 0.571448 0.012398 Na\n0.293758 0.955265 0.450672 Gd\n0.286987 0.953610 0.039952 Gd\n0.390181 0.783421 0.752551 Gd\n0.403713 0.168942 0.752731 Gd\n0.596287 0.831058 0.252731 Gd\n0.609819 0.216579 0.252551 Gd\n0.706242 0.044735 0.950672 Gd\n0.713013 0.046390 0.539952 Gd\n0.439314 0.984690 0.874063 N\n0.560686 0.015310 0.374063 N\n0.109667 0.697115 0.587052 Cl\n0.105375 0.692476 0.914194 Cl\n0.241622 0.748764 0.249484 Cl\n0.119808 0.117178 0.596485 Cl\n0.116098 0.120211 0.903583 Cl\n0.259820 0.142618 0.249453 Cl\n0.349974 0.466058 0.751935 Cl\n0.494978 0.695295 0.005023 Cl\n0.495553 0.694721 0.497880 Cl\n0.505022 0.304705 0.505023 Cl\n0.504447 0.305279 0.997880 Cl\n0.650026 0.533942 0.251935 Cl\n0.740180 0.857382 0.749453 Cl\n0.880192 0.882822 0.096485 Cl\n0.883902 0.879788 0.403583 Cl\n0.758378 0.251236 0.749484 Cl\n0.890333 0.302885 0.087052 Cl\n0.894625 0.307524 0.414194 Cl\n0.441242 0.984821 0.622961 O\n0.558758 0.015179 0.122961 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Na",
"Gd",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Gd-N-Na-O",
"density": 4.188930490494178,
"density_atomic": 0.04187708620642882,
"volume": 811.899849774659,
"volume_molar": 14.380515230487797,
"formula_full": "Na4 Gd8 N2 Cl18 O2",
"formula_reduced": "Na2Gd4NCl9O",
"formula_anonymous": "ABC2D4E9",
"energy": -267.52325358,
"energy_per_atom": -7.8683309876470595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.37525358,
"band_gap": 2.1724,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.0024346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.901000Z",
"spacegroup": 4
},
{
"id": "mp-1225375",
"created_at": "2022-09-04T14:39:17.316191Z",
"structure_string": "Dy1 Fe10 Si2\n1.0\n0.000000 0.000000 4.750291\n-4.144856 4.169333 2.375145\n-4.144856 -4.169333 -2.375145\nDy Fe Si\n1 10 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.638499 0.361501 0.638499 Fe\n0.361501 0.638499 0.361501 Fe\n0.000000 0.354448 0.354448 Fe\n0.000000 0.645552 0.645552 Fe\n0.500000 0.790807 0.790807 Fe\n0.500000 0.209193 0.209193 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.735285 0.764715 0.235285 Si\n0.264715 0.235285 0.764715 Si\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"Si"
],
"chemical_system": "Dy-Fe-Si",
"density": 7.859800117451496,
"density_atomic": 0.07918029427830292,
"volume": 164.1822642677684,
"volume_molar": 7.6056054285847665,
"formula_full": "Dy1 Fe10 Si2",
"formula_reduced": "Dy(Fe5Si)2",
"formula_anonymous": "AB2C10",
"energy": -103.24906949,
"energy_per_atom": -7.942236114615384,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.39106949,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.334383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.414000Z",
"spacegroup": 71
}
]
}