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=12188",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12186",
"results": [
{
"id": "mp-1187669",
"created_at": "2022-09-04T14:48:15.497314Z",
"structure_string": "Yb1 Dy3\n1.0\n-2.532453 2.532453 5.074817\n2.532453 -2.532453 5.074817\n2.532453 2.532453 -5.074817\nYb Dy\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Dy\n0.250000 0.750000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Dy"
],
"chemical_system": "Dy-Yb",
"density": 8.425293800807474,
"density_atomic": 0.030725349096407232,
"volume": 130.18566485442233,
"volume_molar": 19.5999099671879,
"formula_full": "Yb1 Dy3",
"formula_reduced": "YbDy3",
"formula_anonymous": "AB3",
"energy": -14.92926259,
"energy_per_atom": -3.7323156475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.92926259,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:05.193000Z",
"spacegroup": 139
},
{
"id": "mp-753210",
"created_at": "2022-09-04T14:48:15.503368Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.822539 0.000000 0.000000\n0.022276 6.200481 0.000000\n0.412796 0.057370 9.625105\nFe O F\n8 6 10\ndirect\n0.015919 0.006015 0.982596 Fe\n0.950789 0.488251 0.011618 Fe\n0.028892 0.001746 0.486867 Fe\n0.989838 0.498552 0.506153 Fe\n0.480106 0.261483 0.257533 Fe\n0.477434 0.740704 0.254882 Fe\n0.536826 0.251785 0.763971 Fe\n0.505351 0.750241 0.746865 Fe\n0.808024 0.260630 0.903935 O\n0.680855 0.502059 0.160126 O\n0.691952 0.502657 0.652669 O\n0.324600 0.000356 0.335270 O\n0.283753 0.501203 0.356451 O\n0.336741 0.996269 0.832215 O\n0.796878 0.258395 0.402632 F\n0.797805 0.742695 0.404422 F\n0.800119 0.734787 0.897623 F\n0.702929 0.994909 0.150431 F\n0.713609 0.999538 0.644162 F\n0.297069 0.504555 0.852887 F\n0.196514 0.741166 0.602413 F\n0.186552 0.736670 0.092244 F\n0.196671 0.260771 0.602307 F\n0.200772 0.264565 0.099731 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.227587919700973,
"density_atomic": 0.08338820709109052,
"volume": 287.8104810885692,
"volume_molar": 7.221813455494506,
"formula_full": "Fe8 O6 F10",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy": -168.03145974999998,
"energy_per_atom": -7.001310822916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.24145975,
"band_gap": 1.1787,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.9998582,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:58.310000Z",
"spacegroup": 1
},
{
"id": "mp-1025441",
"created_at": "2022-09-04T14:48:15.512511Z",
"structure_string": "Ta4 Al2 C2\n1.0\n1.552215 -2.688516 0.000000\n1.552215 2.688516 0.000000\n0.000000 0.000000 13.931074\nTa Al C\n4 2 2\ndirect\n0.333333 0.666667 0.410270 Ta\n0.666667 0.333333 0.589730 Ta\n0.666667 0.333333 0.910270 Ta\n0.333333 0.666667 0.089730 Ta\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"Al",
"C"
],
"chemical_system": "Al-C-Ta",
"density": 11.450463109215853,
"density_atomic": 0.06880355697903394,
"volume": 116.273058418154,
"volume_molar": 8.752659054872828,
"formula_full": "Ta4 Al2 C2",
"formula_reduced": "Ta2AlC",
"formula_anonymous": "ABC2",
"energy": -77.56924513,
"energy_per_atom": -9.69615564125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.56924513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036375,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:55.647000Z",
"spacegroup": 194
},
{
"id": "mp-764470",
"created_at": "2022-09-04T14:48:15.516084Z",
"structure_string": "V8 O2 F22\n1.0\n5.273341 0.000000 0.000000\n2.624051 4.770856 0.000000\n2.598278 0.785267 17.244791\nV O F\n8 2 22\ndirect\n0.241978 0.260278 0.752070 V\n0.758022 0.739722 0.247930 V\n0.879392 0.853615 0.870733 V\n0.377364 0.370666 0.374508 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.622636 0.629334 0.625492 V\n0.120608 0.146385 0.129267 V\n0.024523 0.422204 0.184084 O\n0.975477 0.577796 0.815916 O\n0.464405 0.461307 0.713014 F\n0.533914 0.942567 0.689152 F\n0.257666 0.674822 0.913824 F\n0.968716 0.954881 0.211379 F\n0.767083 0.157713 0.411472 F\n0.011884 0.412949 0.662656 F\n0.031284 0.045119 0.788621 F\n0.535595 0.538693 0.286986 F\n0.742334 0.325178 0.086176 F\n0.782541 0.180548 0.934783 F\n0.466086 0.057433 0.310848 F\n0.713044 0.714859 0.963014 F\n0.512232 0.915283 0.160651 F\n0.212942 0.212827 0.462426 F\n0.232917 0.842287 0.588528 F\n0.286956 0.285141 0.036986 F\n0.487768 0.084717 0.839349 F\n0.988116 0.587051 0.337344 F\n0.293617 0.683980 0.437606 F\n0.706383 0.316020 0.562394 F\n0.217459 0.819452 0.065217 F\n0.787058 0.787173 0.537574 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.2820178138176725,
"density_atomic": 0.07375812684581096,
"volume": 433.8504971376916,
"volume_molar": 8.164714882997362,
"formula_full": "V8 O2 F22",
"formula_reduced": "V4OF11",
"formula_anonymous": "AB4C11",
"energy": -224.85733223,
"energy_per_atom": -7.0267916321875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.71933223,
"band_gap": 1.486,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 14.0000812,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.594000Z",
"spacegroup": 2
},
{
"id": "mp-862854",
"created_at": "2022-09-04T14:48:15.590119Z",
"structure_string": "Pa2 Pd6\n1.0\n2.864982 -4.962294 0.000000\n2.864982 4.962294 0.000000\n0.000000 0.000000 5.071054\nPa Pd\n2 6\ndirect\n0.666667 0.333333 0.250000 Pa\n0.333333 0.666667 0.750000 Pa\n0.835458 0.164542 0.750000 Pd\n0.329084 0.164542 0.750000 Pd\n0.835458 0.670916 0.750000 Pd\n0.164542 0.835458 0.250000 Pd\n0.670916 0.835458 0.250000 Pd\n0.164542 0.329084 0.250000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"Pd"
],
"chemical_system": "Pa-Pd",
"density": 12.674847261065771,
"density_atomic": 0.055482671863010466,
"volume": 144.18916269483933,
"volume_molar": 10.854092922685794,
"formula_full": "Pa2 Pd6",
"formula_reduced": "PaPd3",
"formula_anonymous": "AB3",
"energy": -56.29676166,
"energy_per_atom": -7.0370952075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.29676166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:08.892000Z",
"spacegroup": 194
},
{
"id": "mp-1200820",
"created_at": "2022-09-04T14:48:15.526688Z",
"structure_string": "K6 Na2 Pt1 W6 O36\n1.0\n7.268355 -6.266791 0.000000\n7.268355 6.266791 0.000000\n1.865115 0.000000 9.413979\nK Na Pt W O\n6 2 1 6 36\ndirect\n0.324641 0.877104 0.324641 K\n0.877104 0.324641 0.324641 K\n0.324641 0.324641 0.877104 K\n0.675359 0.122896 0.675359 K\n0.122896 0.675359 0.675359 K\n0.675359 0.675359 0.122896 K\n0.601609 0.601609 0.601609 Na\n0.398391 0.398391 0.398391 Na\n0.000000 0.000000 0.000000 Pt\n0.261019 0.000000 0.738981 W\n0.738981 0.000000 0.261019 W\n0.000000 0.738981 0.261019 W\n0.000000 0.261019 0.738981 W\n0.738981 0.261019 0.000000 W\n0.261019 0.738981 0.000000 W\n0.901705 0.357026 0.901705 O\n0.357026 0.901705 0.901705 O\n0.901705 0.901705 0.357026 O\n0.098295 0.642974 0.098295 O\n0.642974 0.098295 0.098295 O\n0.098295 0.098295 0.642974 O\n0.134789 0.887714 0.134789 O\n0.887714 0.134789 0.134789 O\n0.134789 0.134789 0.887714 O\n0.865211 0.112286 0.865211 O\n0.112286 0.865211 0.865211 O\n0.865211 0.865211 0.112286 O\n0.685281 0.384771 0.130214 O\n0.130214 0.384771 0.685281 O\n0.384771 0.130214 0.685281 O\n0.384771 0.685281 0.130214 O\n0.130214 0.685281 0.384771 O\n0.685281 0.130214 0.384771 O\n0.314719 0.615229 0.869786 O\n0.869786 0.615229 0.314719 O\n0.615229 0.869786 0.314719 O\n0.615229 0.314719 0.869786 O\n0.869786 0.314719 0.615229 O\n0.314719 0.869786 0.615229 O\n0.803753 0.619037 0.803753 O\n0.619037 0.803753 0.803753 O\n0.803753 0.803753 0.619037 O\n0.196247 0.380963 0.196247 O\n0.380963 0.196247 0.196247 O\n0.196247 0.196247 0.380963 O\n0.649502 0.832317 0.649502 O\n0.832317 0.649502 0.649502 O\n0.649502 0.649502 0.832317 O\n0.350498 0.167683 0.350498 O\n0.167683 0.350498 0.350498 O\n0.350498 0.350498 0.167683 O\n",
"nsites": 51,
"nelements": 5,
"elements": [
"K",
"Na",
"Pt",
"W",
"O"
],
"chemical_system": "K-Na-O-Pt-W",
"density": 4.1720129710506315,
"density_atomic": 0.05946831227637478,
"volume": 857.599586196109,
"volume_molar": 10.12663808586416,
"formula_full": "K6 Na2 Pt1 W6 O36",
"formula_reduced": "K6Na2Pt(WO6)6",
"formula_anonymous": "AB2C6D6E36",
"energy": -328.57565166,
"energy_per_atom": -6.442659836470589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.94765166,
"band_gap": 0.7366999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003912,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:39.849000Z",
"spacegroup": 166
},
{
"id": "mp-1099669",
"created_at": "2022-09-04T14:48:15.532265Z",
"structure_string": "K4 Na28 V28 Mo4 O80\n1.0\n0.006242 0.042802 11.002128\n11.322134 -0.003739 0.006362\n-5.669340 14.636581 -5.444570\nK Na V Mo O\n4 28 28 4 80\ndirect\n0.307411 0.071482 0.117042 K\n0.805483 0.069712 0.116898 K\n0.054024 0.798096 0.115679 K\n0.559271 0.794562 0.115510 K\n0.304288 0.068791 0.607239 Na\n0.310170 0.564255 0.107099 Na\n0.304068 0.568161 0.607419 Na\n0.804510 0.068650 0.606864 Na\n0.801104 0.565721 0.107076 Na\n0.803486 0.568263 0.606920 Na\n0.198645 0.433891 0.395029 Na\n0.202400 0.429874 0.890520 Na\n0.198282 0.932757 0.396273 Na\n0.195169 0.931227 0.889219 Na\n0.697875 0.433818 0.394748 Na\n0.693113 0.429582 0.889788 Na\n0.698580 0.932579 0.396299 Na\n0.692447 0.929529 0.889289 Na\n0.051450 0.293282 0.108243 Na\n0.054585 0.288486 0.607183 Na\n0.053487 0.788839 0.606928 Na\n0.554452 0.293998 0.107115 Na\n0.553984 0.288789 0.607244 Na\n0.553340 0.788707 0.606972 Na\n0.448512 0.213997 0.396514 Na\n0.447679 0.211644 0.890540 Na\n0.448287 0.710962 0.394970 Na\n0.449415 0.706051 0.890182 Na\n0.948399 0.213735 0.396373 Na\n0.943951 0.209537 0.890066 Na\n0.947841 0.710971 0.394746 Na\n0.941715 0.707638 0.889149 Na\n0.006626 0.000398 0.501038 V\n0.005251 0.500731 0.499647 V\n0.506814 0.000865 0.501629 V\n0.506244 0.496393 0.996990 V\n0.505570 0.501249 0.500288 V\n0.258685 0.254742 0.997755 V\n0.256950 0.250815 0.501885 V\n0.255234 0.748894 0.499980 V\n0.751377 0.252882 0.997791 V\n0.756635 0.250660 0.501174 V\n0.748989 0.743515 0.994497 V\n0.754951 0.748710 0.499228 V\n0.112077 0.096216 0.256885 V\n0.103544 0.089678 0.749009 V\n0.104668 0.586528 0.252968 V\n0.101918 0.585580 0.746569 V\n0.612609 0.096178 0.257322 V\n0.602983 0.089623 0.749234 V\n0.604999 0.586191 0.252001 V\n0.602549 0.586563 0.747249 V\n0.354985 0.415758 0.251772 V\n0.353905 0.409850 0.749036 V\n0.363002 0.910727 0.257130 V\n0.351340 0.910980 0.746408 V\n0.854381 0.415222 0.251862 V\n0.851933 0.409777 0.747683 V\n0.862773 0.910603 0.257113 V\n0.850646 0.911875 0.746240 V\n0.999096 0.001090 0.994883 Mo\n0.001566 0.495926 0.997175 Mo\n0.504306 0.999646 0.995530 Mo\n0.254340 0.744485 0.995117 Mo\n0.119240 0.111694 0.490210 O\n0.115279 0.119145 0.986615 O\n0.118947 0.611461 0.489180 O\n0.123172 0.613008 0.983338 O\n0.619042 0.111501 0.490050 O\n0.619220 0.120654 0.982780 O\n0.618920 0.611467 0.488989 O\n0.619842 0.604822 0.987204 O\n0.142535 0.372041 0.007474 O\n0.144599 0.370779 0.511086 O\n0.129435 0.879240 0.005379 O\n0.145318 0.870634 0.511733 O\n0.639760 0.371496 0.008018 O\n0.644676 0.371090 0.511451 O\n0.631007 0.873497 0.003655 O\n0.645300 0.870588 0.511703 O\n0.369072 0.128477 0.489915 O\n0.365148 0.126741 0.985481 O\n0.369038 0.627756 0.489271 O\n0.372606 0.609814 0.980554 O\n0.869019 0.128367 0.489803 O\n0.866262 0.125354 0.985312 O\n0.868983 0.627876 0.489374 O\n0.868910 0.615178 0.983224 O\n0.391458 0.382350 0.006989 O\n0.395295 0.391146 0.511566 O\n0.379826 0.879764 0.004392 O\n0.394824 0.890675 0.511577 O\n0.886965 0.377732 0.011352 O\n0.895224 0.391036 0.511410 O\n0.881853 0.884609 0.001165 O\n0.894717 0.890561 0.511519 O\n0.071986 0.096502 0.142021 O\n0.081622 0.099865 0.640967 O\n0.084619 0.588427 0.142955 O\n0.080970 0.598486 0.639433 O\n0.575971 0.099232 0.144624 O\n0.581785 0.099878 0.641114 O\n0.582392 0.584015 0.141095 O\n0.581335 0.599079 0.639562 O\n0.442187 0.400841 0.358277 O\n0.441490 0.395836 0.854739 O\n0.447762 0.895041 0.362481 O\n0.438268 0.896164 0.852207 O\n0.942584 0.400806 0.358569 O\n0.937756 0.393552 0.853432 O\n0.948401 0.895143 0.362881 O\n0.939275 0.900335 0.854264 O\n0.333410 0.306530 0.140696 O\n0.331502 0.291090 0.640518 O\n0.327392 0.795231 0.144621 O\n0.331052 0.790784 0.639447 O\n0.831376 0.304372 0.141642 O\n0.831442 0.290944 0.640111 O\n0.826419 0.796853 0.145220 O\n0.831355 0.791354 0.640129 O\n0.197979 0.216976 0.361623 O\n0.189799 0.208196 0.855777 O\n0.192534 0.707946 0.359170 O\n0.188650 0.706980 0.851947 O\n0.698049 0.217480 0.362441 O\n0.689645 0.208384 0.855440 O\n0.692791 0.707888 0.358813 O\n0.689033 0.704918 0.853393 O\n0.452458 0.057150 0.265290 O\n0.433096 0.057836 0.748186 O\n0.435523 0.563409 0.253773 O\n0.433733 0.556123 0.748396 O\n0.953144 0.057461 0.265287 O\n0.933289 0.057527 0.748054 O\n0.934798 0.562941 0.253289 O\n0.933187 0.556454 0.748368 O\n0.185017 0.440107 0.253171 O\n0.183911 0.440349 0.748243 O\n0.202546 0.958711 0.264694 O\n0.182993 0.942178 0.748351 O\n0.684957 0.440171 0.253720 O\n0.682963 0.439845 0.747899 O\n0.702438 0.958263 0.265257 O\n0.683254 0.941857 0.748417 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"K",
"Na",
"V",
"Mo",
"O"
],
"chemical_system": "K-Mo-Na-O-V",
"density": 3.538361263540985,
"density_atomic": 0.07887616506913821,
"volume": 1825.6465672966995,
"volume_molar": 7.634930976577456,
"formula_full": "K4 Na28 V28 Mo4 O80",
"formula_reduced": "KNa7V7MoO20",
"formula_anonymous": "ABC7D7E20",
"energy": -1062.46632722,
"energy_per_atom": -7.3782383834722225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -947.09832722,
"band_gap": 0.0676999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 34.2408358,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.274000Z",
"spacegroup": 1
},
{
"id": "mp-752457",
"created_at": "2022-09-04T14:48:15.536530Z",
"structure_string": "Mn6 O10 F2\n1.0\n5.431104 0.000000 0.000000\n1.507898 5.255351 0.000000\n2.045675 1.489021 6.516338\nMn O F\n6 10 2\ndirect\n0.348415 0.332548 0.160005 Mn\n0.642689 0.692678 0.332061 Mn\n0.357311 0.307322 0.667939 Mn\n0.651585 0.667452 0.839995 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.358071 0.982054 0.330181 O\n0.106092 0.099095 0.703717 O\n0.432032 0.439169 0.371472 O\n0.765963 0.767396 0.037608 O\n0.893908 0.900905 0.296283 O\n0.234037 0.232604 0.962392 O\n0.567968 0.560831 0.628528 O\n0.641929 0.017946 0.669819 O\n0.305751 0.690645 0.002001 O\n0.694249 0.309355 0.997999 O\n0.032749 0.613382 0.677622 F\n0.967251 0.386618 0.322378 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.710599018828909,
"density_atomic": 0.09677853766319212,
"volume": 185.99165098612517,
"volume_molar": 6.22259945790688,
"formula_full": "Mn6 O10 F2",
"formula_reduced": "Mn3O5F",
"formula_anonymous": "AB3C5",
"energy": -143.3895117,
"energy_per_atom": -7.966083983333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.5875117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.123000Z",
"spacegroup": 2
},
{
"id": "mp-1384218",
"created_at": "2022-09-04T14:48:15.539489Z",
"structure_string": "Y2 Cu4 O8\n1.0\n0.000000 4.400984 4.400984\n4.400984 0.000000 4.400984\n4.400984 4.400984 0.000000\nY Cu O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Y\n0.625000 0.625000 0.625000 Cu\n0.625000 0.125000 0.625000 Cu\n0.125000 0.625000 0.625000 Cu\n0.625000 0.625000 0.125000 Cu\n0.422041 0.859320 0.859320 O\n0.390680 0.390680 0.827959 O\n0.390680 0.390680 0.390680 O\n0.390680 0.827959 0.390680 O\n0.859320 0.859320 0.422041 O\n0.827959 0.390680 0.390680 O\n0.859320 0.859320 0.859320 O\n0.859320 0.422041 0.859320 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Y",
"density": 5.4544467026744545,
"density_atomic": 0.08211994900610838,
"volume": 170.48232700386396,
"volume_molar": 7.333346930782985,
"formula_full": "Y2 Cu4 O8",
"formula_reduced": "Y(CuO2)2",
"formula_anonymous": "AB2C4",
"energy": -93.65250191,
"energy_per_atom": -6.689464422142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.15650191,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0004426,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:08.609000Z",
"spacegroup": 227
},
{
"id": "mp-557823",
"created_at": "2022-09-04T14:48:15.541864Z",
"structure_string": "Sb4 Xe4 O8 F28\n1.0\n5.930053 0.000000 0.000000\n0.000000 10.534295 0.000000\n0.000000 0.684490 12.332571\nSb Xe O F\n4 4 8 28\ndirect\n0.290683 0.669127 0.372019 Sb\n0.790683 0.330873 0.127981 Sb\n0.209317 0.669127 0.872019 Sb\n0.709317 0.330873 0.627981 Sb\n0.816445 0.801816 0.132516 Xe\n0.683555 0.801816 0.632516 Xe\n0.183555 0.198184 0.867484 Xe\n0.316445 0.198184 0.367484 Xe\n0.599171 0.127588 0.389219 O\n0.383738 0.110368 0.958149 O\n0.900829 0.127588 0.889219 O\n0.616262 0.889632 0.041851 O\n0.099171 0.872412 0.110781 O\n0.883738 0.889632 0.541851 O\n0.400829 0.872412 0.610781 O\n0.116262 0.110368 0.458149 O\n0.821728 0.511046 0.127629 F\n0.381049 0.651217 0.001890 F\n0.980530 0.339726 0.716191 F\n0.432098 0.316955 0.544021 F\n0.744313 0.892282 0.269673 F\n0.678272 0.511046 0.627629 F\n0.321728 0.488954 0.372371 F\n0.519470 0.339726 0.216191 F\n0.762845 0.150831 0.134459 F\n0.755687 0.892282 0.769673 F\n0.618951 0.348783 0.998110 F\n0.530651 0.320266 0.759716 F\n0.255687 0.107718 0.730327 F\n0.262845 0.849169 0.365541 F\n0.237155 0.849169 0.865541 F\n0.969349 0.320266 0.259716 F\n0.244313 0.107718 0.230327 F\n0.469349 0.679734 0.240284 F\n0.932098 0.683045 0.955979 F\n0.178272 0.488954 0.872371 F\n0.567902 0.683045 0.455979 F\n0.019470 0.660274 0.283809 F\n0.118951 0.651217 0.501890 F\n0.067902 0.316955 0.044021 F\n0.737155 0.150831 0.634459 F\n0.881049 0.348783 0.498110 F\n0.480530 0.660274 0.783809 F\n0.030651 0.679734 0.740284 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sb",
"Xe",
"O",
"F"
],
"chemical_system": "F-O-Sb-Xe",
"density": 3.6042084378308257,
"density_atomic": 0.05711300367480152,
"volume": 770.402485754973,
"volume_molar": 10.54425502515987,
"formula_full": "Sb4 Xe4 O8 F28",
"formula_reduced": "SbXeO2F7",
"formula_anonymous": "ABC2D7",
"energy": -172.54586367000002,
"energy_per_atom": -3.9214969015909094,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.11386367,
"band_gap": 1.8315,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.181000Z",
"spacegroup": 14
},
{
"id": "mp-20817",
"created_at": "2022-09-04T14:48:15.549560Z",
"structure_string": "Ge4 Pt4 Se4\n1.0\n6.077593 0.000000 0.000000\n0.000000 6.091925 0.000000\n0.000000 0.000000 6.151135\nGe Pt Se\n4 4 4\ndirect\n0.618549 0.880695 0.874390 Ge\n0.118549 0.119305 0.125610 Ge\n0.118549 0.619305 0.874390 Ge\n0.618549 0.380695 0.125610 Ge\n0.996394 0.492280 0.240125 Pt\n0.496394 0.507720 0.759875 Pt\n0.496394 0.007720 0.240125 Pt\n0.996394 0.992280 0.759875 Pt\n0.384057 0.116100 0.636328 Se\n0.884057 0.883900 0.363672 Se\n0.884057 0.383900 0.636328 Se\n0.384057 0.616100 0.363672 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ge",
"Pt",
"Se"
],
"chemical_system": "Ge-Pt-Se",
"density": 10.111171291847148,
"density_atomic": 0.05269141072765155,
"volume": 227.74110304286472,
"volume_molar": 11.429074828014963,
"formula_full": "Ge4 Pt4 Se4",
"formula_reduced": "GePtSe",
"formula_anonymous": "ABC",
"energy": -65.2613615,
"energy_per_atom": -5.438446791666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.3733615,
"band_gap": 0.6596000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.748000Z",
"spacegroup": 29
},
{
"id": "mp-10184",
"created_at": "2022-09-04T14:48:15.552259Z",
"structure_string": "Mg1 Sb1 Pt1\n1.0\n0.000000 3.177983 3.177983\n3.177983 0.000000 3.177983\n3.177983 3.177983 0.000000\nMg Sb Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"Pt"
],
"chemical_system": "Mg-Pt-Sb",
"density": 8.824873633187616,
"density_atomic": 0.04673438693353997,
"volume": 64.19256134174263,
"volume_molar": 12.885888004830287,
"formula_full": "Mg1 Sb1 Pt1",
"formula_reduced": "MgSbPt",
"formula_anonymous": "ABC",
"energy": -13.93216902,
"energy_per_atom": -4.64405634,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.93216902,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.35e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.964000Z",
"spacegroup": 216
}
]
}