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=-created_at&page=10165",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-created_at&page=10163",
"results": [
{
"id": "mp-675460",
"created_at": "2022-09-04T14:40:26.935745Z",
"structure_string": "Li1 Ti1 Cl3\n1.0\n5.059180 0.000000 0.000000\n0.000000 5.059180 0.000000\n0.000000 0.000000 4.860325\nLi Ti Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ti",
"Cl"
],
"chemical_system": "Cl-Li-Ti",
"density": 2.151293405634958,
"density_atomic": 0.04019244544252422,
"volume": 124.4014875171025,
"volume_molar": 14.983265371627484,
"formula_full": "Li1 Ti1 Cl3",
"formula_reduced": "LiTiCl3",
"formula_anonymous": "ABC3",
"energy": -24.157318749999995,
"energy_per_atom": -4.831463749999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.31531875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.041000Z",
"spacegroup": 123
},
{
"id": "mp-1079732",
"created_at": "2022-09-04T14:40:26.931769Z",
"structure_string": "Te1 Br6 N2\n1.0\n0.000000 5.405049 5.405049\n5.405049 0.000000 5.405049\n5.405049 5.405049 0.000000\nTe Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Te\n0.760532 0.760532 0.239468 Br\n0.239468 0.760532 0.239468 Br\n0.760532 0.239468 0.239468 Br\n0.239468 0.239468 0.760532 Br\n0.760532 0.239468 0.760532 Br\n0.239468 0.760532 0.760532 Br\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Te",
"Br",
"N"
],
"chemical_system": "Br-N-Te",
"density": 3.339023679111519,
"density_atomic": 0.028497949165164765,
"volume": 315.8121992512146,
"volume_molar": 21.131839084622012,
"formula_full": "Te1 Br6 N2",
"formula_reduced": "Te(Br3N)2",
"formula_anonymous": "AB2C6",
"energy": -23.821025,
"energy_per_atom": -2.6467805555555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.895025,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0811967,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.492000Z",
"spacegroup": 225
},
{
"id": "mp-1301773",
"created_at": "2022-09-04T14:40:26.930665Z",
"structure_string": "Zn4 Fe2 Ir2 O12\n1.0\n5.222073 -0.000573 -0.015812\n-0.000579 5.228375 -0.000108\n-0.007414 -0.000163 7.720763\nZn Fe Ir O\n4 2 2 12\ndirect\n0.991912 0.967549 0.246344 Zn\n0.507986 0.467334 0.253657 Zn\n0.492008 0.532668 0.746345 Zn\n0.008096 0.032453 0.753657 Zn\n0.000003 0.499987 0.000001 Fe\n0.500019 0.999996 0.499968 Fe\n0.999993 0.500002 0.500004 Ir\n0.500009 0.000000 0.999995 Ir\n0.118000 0.414336 0.743695 O\n0.176124 0.174082 0.061956 O\n0.168675 0.179475 0.430918 O\n0.331418 0.679360 0.069113 O\n0.323883 0.674207 0.438148 O\n0.381995 0.914329 0.756227 O\n0.618006 0.085672 0.243776 O\n0.676121 0.325792 0.561853 O\n0.668566 0.320639 0.930895 O\n0.823861 0.825933 0.938052 O\n0.831331 0.820518 0.569085 O\n0.881994 0.585668 0.256309 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Fe",
"Ir",
"O"
],
"chemical_system": "Fe-Ir-O-Zn",
"density": 7.481540977469747,
"density_atomic": 0.09487709408932686,
"volume": 210.79903628972852,
"volume_molar": 6.347307343045467,
"formula_full": "Zn4 Fe2 Ir2 O12",
"formula_reduced": "Zn2FeIrO6",
"formula_anonymous": "ABC2D6",
"energy": -128.19354930999998,
"energy_per_atom": -6.409677465499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.43754930999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9997033,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.874000Z",
"spacegroup": 14
},
{
"id": "mp-554656",
"created_at": "2022-09-04T14:40:26.928419Z",
"structure_string": "Li20 V4 P8 O32 F8\n1.0\n10.936604 0.000000 0.000000\n0.000000 6.456862 0.000000\n0.000000 0.003390 10.520209\nLi V P O F\n20 4 8 32 8\ndirect\n0.336611 0.032151 0.754198 Li\n0.836611 0.967849 0.745802 Li\n0.665552 0.491398 0.268219 Li\n0.083500 0.741121 0.727476 Li\n0.723941 0.744984 0.474598 Li\n0.500000 0.500000 0.500000 Li\n0.663389 0.967849 0.245802 Li\n0.223941 0.255016 0.025402 Li\n0.583500 0.258879 0.772524 Li\n0.334448 0.508602 0.731781 Li\n0.500000 0.500000 0.000000 Li\n0.916500 0.258879 0.272524 Li\n0.416500 0.741121 0.227476 Li\n0.834448 0.491398 0.768219 Li\n0.776059 0.744984 0.974598 Li\n0.165552 0.508602 0.231781 Li\n0.000000 0.500000 0.000000 Li\n0.276059 0.255016 0.525402 Li\n0.163389 0.032151 0.254198 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.255217 0.747904 0.476380 P\n0.079305 0.258735 0.744285 P\n0.420695 0.258735 0.244285 P\n0.244783 0.747904 0.976380 P\n0.920695 0.741265 0.255715 P\n0.579305 0.741265 0.755715 P\n0.755217 0.252096 0.023620 P\n0.744783 0.252096 0.523620 P\n0.518150 0.940015 0.815611 O\n0.323396 0.941504 0.533990 O\n0.823396 0.058496 0.966010 O\n0.513137 0.546726 0.804243 O\n0.486863 0.453274 0.195757 O\n0.619921 0.237987 0.973856 O\n0.986863 0.546726 0.304243 O\n0.255280 0.756668 0.329132 O\n0.684330 0.446143 0.468118 O\n0.981850 0.940015 0.315611 O\n0.184330 0.553857 0.031882 O\n0.815670 0.446143 0.968118 O\n0.443668 0.237355 0.390518 O\n0.282785 0.260722 0.216508 O\n0.556332 0.762645 0.609482 O\n0.380079 0.762013 0.026144 O\n0.315670 0.553857 0.531882 O\n0.717215 0.739278 0.783492 O\n0.744720 0.243332 0.670868 O\n0.481850 0.059985 0.184389 O\n0.244720 0.756668 0.829132 O\n0.782785 0.739278 0.283492 O\n0.018150 0.059985 0.684389 O\n0.013137 0.453274 0.695757 O\n0.056332 0.237355 0.890518 O\n0.176604 0.941504 0.033990 O\n0.676604 0.058496 0.466010 O\n0.943668 0.762645 0.109482 O\n0.217215 0.260722 0.716508 O\n0.119921 0.762013 0.526144 O\n0.755280 0.243332 0.170868 O\n0.880079 0.237987 0.473856 O\n0.030865 0.226007 0.132746 F\n0.623256 0.786727 0.059749 F\n0.123256 0.213273 0.440251 F\n0.530865 0.773993 0.367254 F\n0.969135 0.773993 0.867254 F\n0.376744 0.213273 0.940251 F\n0.876744 0.786727 0.559749 F\n0.469135 0.226007 0.632746 F\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"O",
"F"
],
"chemical_system": "F-Li-O-P-V",
"density": 2.803738058234476,
"density_atomic": 0.09691793159688412,
"volume": 742.8965807841773,
"volume_molar": 6.213649693895871,
"formula_full": "Li20 V4 P8 O32 F8",
"formula_reduced": "Li5VP2(O4F)2",
"formula_anonymous": "AB2C2D5E8",
"energy": -495.2727807600001,
"energy_per_atom": -6.8787886216666685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -462.79278076,
"band_gap": 2.4559,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0002557,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.262000Z",
"spacegroup": 14
},
{
"id": "mp-779882",
"created_at": "2022-09-04T14:40:26.927158Z",
"structure_string": "Mn12 O10 F14\n1.0\n5.152350 0.000000 0.000000\n-0.009487 5.763975 0.000000\n-1.170891 -0.025268 14.559130\nMn O F\n12 10 14\ndirect\n0.964092 0.882562 0.005901 Mn\n0.501999 0.141439 0.164626 Mn\n0.048273 0.885269 0.326459 Mn\n0.452796 0.887962 0.504826 Mn\n0.009607 0.099208 0.666287 Mn\n0.525858 0.905435 0.836171 Mn\n0.998511 0.438059 0.164311 Mn\n0.464142 0.575803 0.005802 Mn\n0.482414 0.452613 0.664031 Mn\n0.959802 0.532831 0.502191 Mn\n0.535975 0.579476 0.320858 Mn\n0.055062 0.588080 0.838628 Mn\n0.269608 0.808436 0.921425 O\n0.154272 0.638912 0.074794 O\n0.850855 0.636196 0.257929 O\n0.632455 0.633279 0.570223 O\n0.771627 0.653946 0.927828 O\n0.338449 0.666763 0.762404 O\n0.247510 0.655499 0.402872 O\n0.168836 0.362364 0.596949 O\n0.332137 0.378794 0.231322 O\n0.664600 0.379100 0.095181 O\n0.377563 0.895136 0.247432 F\n0.640494 0.891699 0.087963 F\n0.131793 0.846414 0.576873 F\n0.739155 0.830491 0.412516 F\n0.837094 0.891925 0.760171 F\n0.263659 0.343818 0.916739 F\n0.725608 0.359288 0.407959 F\n0.834720 0.403785 0.743259 F\n0.237322 0.099347 0.418219 F\n0.134764 0.127857 0.084759 F\n0.368563 0.167485 0.745790 F\n0.655240 0.131069 0.586498 F\n0.754572 0.100249 0.923922 F\n0.870571 0.129411 0.246884 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.167804050986591,
"density_atomic": 0.08326061823244994,
"volume": 432.37728429416563,
"volume_molar": 7.232880187350008,
"formula_full": "Mn12 O10 F14",
"formula_reduced": "Mn6O5F7",
"formula_anonymous": "A5B6C7",
"energy": -272.56387061,
"energy_per_atom": -7.571218628055555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.20987061,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 50.0027746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.270000Z",
"spacegroup": 1
},
{
"id": "mp-556242",
"created_at": "2022-09-04T14:40:26.920777Z",
"structure_string": "Y3 F9\n1.0\n5.385343 0.000000 0.000000\n0.000000 5.385343 0.000000\n0.000000 0.000000 5.385343\nY F\n3 9\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.242479 0.757521 0.757521 F\n0.757521 0.757521 0.242479 F\n0.757521 0.242479 0.242479 F\n0.757521 0.242479 0.757521 F\n0.500000 0.500000 0.500000 F\n0.242479 0.757521 0.242479 F\n0.242479 0.242479 0.757521 F\n0.757521 0.757521 0.757521 F\n0.242479 0.242479 0.242479 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Y",
"F"
],
"chemical_system": "F-Y",
"density": 4.6535961353815685,
"density_atomic": 0.07683182302849988,
"volume": 156.18528269918494,
"volume_molar": 7.838081308790703,
"formula_full": "Y3 F9",
"formula_reduced": "YF3",
"formula_anonymous": "AB3",
"energy": -87.33276089,
"energy_per_atom": -7.277730074166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.17476089,
"band_gap": 5.617299999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.18e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.382000Z",
"spacegroup": 221
},
{
"id": "mp-1247427",
"created_at": "2022-09-04T14:40:26.920378Z",
"structure_string": "Sr12 V8 N16\n1.0\n5.916510 0.000000 0.000000\n0.000000 10.163642 0.000000\n0.000000 0.000000 9.745819\nSr V N\n12 8 16\ndirect\n0.616401 0.157098 0.418058 Sr\n0.883599 0.842902 0.418058 Sr\n0.616401 0.342902 0.081942 Sr\n0.883599 0.657098 0.081942 Sr\n0.383599 0.842902 0.581942 Sr\n0.116401 0.157098 0.581942 Sr\n0.383599 0.657098 0.918058 Sr\n0.116401 0.342902 0.918058 Sr\n0.750000 0.500000 0.403472 Sr\n0.750000 0.000000 0.096528 Sr\n0.250000 0.500000 0.596528 Sr\n0.250000 0.000000 0.903472 Sr\n0.750000 0.500000 0.736642 V\n0.750000 0.000000 0.763358 V\n0.250000 0.500000 0.263358 V\n0.250000 0.000000 0.236642 V\n0.649617 0.250000 0.750000 V\n0.850383 0.750000 0.750000 V\n0.350383 0.750000 0.250000 V\n0.149617 0.250000 0.250000 V\n0.848303 0.353137 0.632055 N\n0.651697 0.646863 0.632055 N\n0.848303 0.146863 0.867945 N\n0.651697 0.853137 0.867945 N\n0.151697 0.646863 0.367945 N\n0.348303 0.353137 0.367945 N\n0.151697 0.853137 0.132055 N\n0.348303 0.146863 0.132055 N\n0.516311 0.414224 0.833943 N\n0.983689 0.585776 0.833943 N\n0.516311 0.085776 0.666057 N\n0.983689 0.914224 0.666057 N\n0.483689 0.585776 0.166057 N\n0.016311 0.414224 0.166057 N\n0.483689 0.914224 0.333943 N\n0.016311 0.085776 0.333943 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"V",
"N"
],
"chemical_system": "N-Sr-V",
"density": 4.768923401500093,
"density_atomic": 0.061428399107242584,
"volume": 586.0481556283223,
"volume_molar": 9.803512459255954,
"formula_full": "Sr12 V8 N16",
"formula_reduced": "Sr3(VN2)2",
"formula_anonymous": "A2B3C4",
"energy": -264.50440777,
"energy_per_atom": -7.347344660277778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.72840777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0662454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.950000Z",
"spacegroup": 52
},
{
"id": "mp-1226634",
"created_at": "2022-09-04T14:40:26.917413Z",
"structure_string": "Ce1 Al3 Pd1\n1.0\n-2.093089 2.093089 5.519486\n2.093089 -2.093089 5.519486\n2.093089 2.093089 -5.519486\nCe Al Pd\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.615263 0.615263 0.000000 Al\n0.384737 0.384737 0.000000 Al\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Pd"
],
"chemical_system": "Al-Ce-Pd",
"density": 5.622127336199421,
"density_atomic": 0.05169350576403963,
"volume": 96.72394870688436,
"volume_molar": 11.649704679517551,
"formula_full": "Ce1 Al3 Pd1",
"formula_reduced": "CeAl3Pd",
"formula_anonymous": "ABC3",
"energy": -25.282607910000003,
"energy_per_atom": -5.056521582,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.282607910000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3650811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.782000Z",
"spacegroup": 119
},
{
"id": "mp-1043196",
"created_at": "2022-09-04T14:40:26.913740Z",
"structure_string": "Zn4 Co4 Ge8 O24\n1.0\n-5.231968 -0.116190 5.679354\n5.300151 -0.068107 8.098437\n-3.839097 6.676695 -0.547084\nZn Co Ge O\n4 4 8 24\ndirect\n0.881230 0.875265 0.243725 Zn\n0.381239 0.375247 0.243828 Zn\n0.618798 0.624725 0.756170 Zn\n0.118719 0.124820 0.756229 Zn\n0.724225 0.374347 0.900876 Co\n0.775791 0.125592 0.099085 Co\n0.224190 0.874502 0.900864 Co\n0.275666 0.625874 0.099360 Co\n0.533236 0.677658 0.389543 Ge\n0.033180 0.177746 0.389595 Ge\n0.537898 0.072339 0.788990 Ge\n0.037853 0.572207 0.788931 Ge\n0.966754 0.822282 0.610485 Ge\n0.466844 0.322298 0.610409 Ge\n0.962141 0.427649 0.210984 Ge\n0.462161 0.927764 0.211063 Ge\n0.791054 0.623683 0.303198 O\n0.290953 0.123690 0.303279 O\n0.570681 0.126258 0.585158 O\n0.070534 0.626309 0.585294 O\n0.708959 0.876307 0.696771 O\n0.209060 0.376267 0.696687 O\n0.929318 0.373746 0.414839 O\n0.429459 0.873684 0.414724 O\n0.192507 0.436932 0.133430 O\n0.692559 0.937125 0.133381 O\n0.053765 0.812811 0.370415 O\n0.553738 0.312763 0.370327 O\n0.307554 0.062999 0.866580 O\n0.807417 0.562896 0.866598 O\n0.446288 0.687034 0.629487 O\n0.946274 0.187229 0.629666 O\n0.482935 0.547942 0.200546 O\n0.982929 0.048076 0.200611 O\n0.597456 0.201974 0.968761 O\n0.097252 0.702007 0.968783 O\n0.016923 0.952090 0.799546 O\n0.517159 0.451877 0.799354 O\n0.902550 0.298026 0.031263 O\n0.402750 0.797963 0.031166 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Zn",
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-O-Zn",
"density": 5.002356637868806,
"density_atomic": 0.08239432082325246,
"volume": 485.47035281479765,
"volume_molar": 7.308926998643934,
"formula_full": "Zn4 Co4 Ge8 O24",
"formula_reduced": "ZnCo(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -264.41709149,
"energy_per_atom": -6.61042728725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -241.37709149,
"band_gap": 1.6158,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.713000Z",
"spacegroup": 15
},
{
"id": "mp-673817",
"created_at": "2022-09-04T14:40:26.913033Z",
"structure_string": "Rb6 P22\n1.0\n3.628501 0.000000 2.094916\n1.209500 3.420983 2.094916\n-8.716279 -6.163340 48.615688\nRb P\n6 22\ndirect\n0.102401 0.102401 0.211600 Rb\n0.990595 0.990595 0.378527 Rb\n0.947979 0.947979 0.519508 Rb\n0.052021 0.052021 0.605492 Rb\n0.009404 0.009404 0.746473 Rb\n0.897599 0.897599 0.913400 Rb\n0.239767 0.239767 0.035087 P\n0.434740 0.434740 0.086972 P\n0.760233 0.760233 0.089913 P\n0.628676 0.628676 0.139246 P\n0.275882 0.275882 0.271544 P\n0.932307 0.932307 0.150385 P\n0.593526 0.593526 0.277428 P\n0.464479 0.464479 0.325820 P\n0.835597 0.835597 0.311651 P\n0.528392 0.528392 0.426853 P\n0.402785 0.402785 0.473956 P\n0.793751 0.793751 0.452344 P\n0.206249 0.206249 0.672656 P\n0.597215 0.597215 0.651044 P\n0.471608 0.471608 0.698147 P\n0.164403 0.164403 0.813349 P\n0.535521 0.535521 0.799180 P\n0.406474 0.406474 0.847572 P\n0.067693 0.067693 0.974615 P\n0.724118 0.724118 0.853456 P\n0.371324 0.371324 0.985754 P\n0.565260 0.565260 0.038028 P\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Rb",
"P"
],
"chemical_system": "P-Rb",
"density": 2.8444553168901074,
"density_atomic": 0.04016245311050969,
"volume": 697.1685699316254,
"volume_molar": 14.994454505629115,
"formula_full": "Rb6 P22",
"formula_reduced": "Rb3P11",
"formula_anonymous": "A3B11",
"energy": -117.81680854,
"energy_per_atom": -4.207743162142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.81680854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.045527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.829000Z",
"spacegroup": 166
},
{
"id": "mp-555331",
"created_at": "2022-09-04T14:40:26.908191Z",
"structure_string": "K2 Gd2 Pd2 O6\n1.0\n1.969770 6.584959 0.000000\n-1.969770 6.584959 0.000000\n0.000000 1.871716 7.314428\nK Gd Pd O\n2 2 2 6\ndirect\n0.644582 0.644582 0.435270 K\n0.355418 0.355418 0.564730 K\n0.650192 0.650192 0.923832 Gd\n0.349808 0.349808 0.076168 Gd\n0.992244 0.992244 0.777242 Pd\n0.007756 0.007756 0.222758 Pd\n0.828330 0.828330 0.870559 O\n0.847132 0.847132 0.268828 O\n0.492994 0.492994 0.819058 O\n0.171670 0.171670 0.129441 O\n0.507006 0.507006 0.180942 O\n0.152868 0.152868 0.731172 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Gd",
"Pd",
"O"
],
"chemical_system": "Gd-K-O-Pd",
"density": 6.139291342713271,
"density_atomic": 0.06324151818131779,
"volume": 189.74876544859617,
"volume_molar": 9.522448121397256,
"formula_full": "K2 Gd2 Pd2 O6",
"formula_reduced": "KGdPdO3",
"formula_anonymous": "ABCD3",
"energy": -98.05302577,
"energy_per_atom": -8.171085480833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.93102577,
"band_gap": 0.7150000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9980376,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.586000Z",
"spacegroup": 12
},
{
"id": "mp-1223915",
"created_at": "2022-09-04T14:40:26.901291Z",
"structure_string": "Ho2 Ge2 Pd2\n1.0\n2.186043 5.223192 0.000000\n-2.186043 5.223192 0.000000\n0.000000 4.692820 5.196294\nHo Ge Pd\n2 2 2\ndirect\n0.455936 0.455936 0.303853 Ho\n0.544064 0.544064 0.696147 Ho\n0.159377 0.159377 0.894869 Ge\n0.840623 0.840623 0.105131 Ge\n0.822533 0.822533 0.726164 Pd\n0.177467 0.177467 0.273836 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Ge",
"Pd"
],
"chemical_system": "Ge-Ho-Pd",
"density": 9.627353380612368,
"density_atomic": 0.0505630017940725,
"volume": 118.6638408937062,
"volume_molar": 11.910172549735716,
"formula_full": "Ho2 Ge2 Pd2",
"formula_reduced": "HoGePd",
"formula_anonymous": "ABC",
"energy": -34.22791308,
"energy_per_atom": -5.70465218,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.22791308,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.380000Z",
"spacegroup": 12
}
]
}