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{
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"results": [
{
"id": "mp-777317",
"created_at": "2022-09-04T14:47:10.447536Z",
"structure_string": "Mn14 Fe6 O40\n1.0\n2.912660 5.113304 0.000000\n-2.912660 5.113304 0.000000\n0.000000 3.305278 24.152315\nMn Fe O\n14 6 40\ndirect\n0.300636 0.300636 0.099678 Mn\n0.297986 0.803341 0.099874 Mn\n0.702014 0.196659 0.900126 Mn\n0.196659 0.702014 0.900126 Mn\n0.803341 0.297986 0.099874 Mn\n0.699364 0.699364 0.900322 Mn\n0.100225 0.603545 0.699774 Mn\n0.396455 0.899775 0.300226 Mn\n0.603545 0.100225 0.699774 Mn\n0.000000 0.500000 0.500000 Mn\n0.899775 0.396455 0.300226 Mn\n0.500000 0.000000 0.500000 Mn\n0.703085 0.703085 0.399979 Mn\n0.296915 0.296915 0.600021 Mn\n0.902057 0.902057 0.800116 Fe\n0.097943 0.097943 0.199884 Fe\n0.500000 0.500000 0.000000 Fe\n0.102109 0.102109 0.700194 Fe\n0.500000 0.500000 0.500000 Fe\n0.897891 0.897891 0.299806 Fe\n0.411338 0.973349 0.145169 O\n0.973349 0.411338 0.145169 O\n0.854996 0.854996 0.940678 O\n0.453294 0.453294 0.140416 O\n0.628300 0.189492 0.054333 O\n0.189492 0.628300 0.054333 O\n0.588662 0.026651 0.854831 O\n0.630623 0.630623 0.054597 O\n0.369377 0.369377 0.945403 O\n0.970418 0.970418 0.144894 O\n0.810508 0.371700 0.945667 O\n0.371700 0.810508 0.945667 O\n0.763642 0.219749 0.746366 O\n0.945388 0.945388 0.659112 O\n0.145004 0.145004 0.059322 O\n0.546706 0.546706 0.859584 O\n0.026651 0.588662 0.854831 O\n0.029582 0.029582 0.855106 O\n0.429767 0.429767 0.653019 O\n0.990468 0.437418 0.652549 O\n0.219749 0.763642 0.746366 O\n0.173950 0.173951 0.546890 O\n0.772270 0.772270 0.745599 O\n0.165290 0.613452 0.547830 O\n0.834710 0.386548 0.452170 O\n0.258999 0.258999 0.741185 O\n0.437418 0.990468 0.652549 O\n0.658633 0.658633 0.540882 O\n0.054612 0.054612 0.340888 O\n0.227730 0.227730 0.254401 O\n0.826050 0.826050 0.453110 O\n0.386548 0.834710 0.452170 O\n0.613452 0.165290 0.547830 O\n0.570233 0.570233 0.346981 O\n0.009532 0.562582 0.347451 O\n0.562582 0.009532 0.347451 O\n0.341367 0.341367 0.459118 O\n0.741001 0.741001 0.258815 O\n0.236358 0.780251 0.253634 O\n0.780251 0.236358 0.253634 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 4.0258713598072395,
"density_atomic": 0.08340096685666928,
"volume": 719.4161202365246,
"volume_molar": 7.220708568462394,
"formula_full": "Mn14 Fe6 O40",
"formula_reduced": "Mn7Fe3O20",
"formula_anonymous": "A3B7C20",
"energy": -471.82258381,
"energy_per_atom": -7.863709730166667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -407.45458381,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 65.9997652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.015000Z",
"spacegroup": 12
},
{
"id": "mp-5518",
"created_at": "2022-09-04T14:47:10.457168Z",
"structure_string": "Ga2 Ag2 Se4\n1.0\n-3.029982 3.029982 5.635071\n3.029982 -3.029982 5.635071\n3.029982 3.029982 -5.635071\nGa Ag Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.875000 0.845527 0.470527 Se\n0.154473 0.625000 0.029473 Se\n0.375000 0.404473 0.529473 Se\n0.595527 0.125000 0.970527 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"Se"
],
"chemical_system": "Ag-Ga-Se",
"density": 5.384515539861855,
"density_atomic": 0.03865899024135268,
"volume": 206.93763468872433,
"volume_molar": 15.57759455796196,
"formula_full": "Ga2 Ag2 Se4",
"formula_reduced": "GaAgSe2",
"formula_anonymous": "ABC2",
"energy": -31.22999005,
"energy_per_atom": -3.90374875625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.34199005,
"band_gap": 0.2491999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009487,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.757000Z",
"spacegroup": 122
},
{
"id": "mp-1519712",
"created_at": "2022-09-04T14:47:10.477139Z",
"structure_string": "K1 Sr1 Pr1 Nb1 O6\n1.0\n0.000000 -4.358558 -4.358558\n4.358558 -0.000000 -4.358558\n4.358558 -4.358558 0.000000\nK Sr Pr Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 -0.000000 -0.000000 Nb\n0.769215 0.230785 0.230785 O\n0.230785 0.769215 0.769215 O\n0.769215 0.230785 0.769215 O\n0.230785 0.769215 0.230785 O\n0.769215 0.769215 0.230785 O\n0.230785 0.230785 0.769215 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Pr",
"Nb",
"O"
],
"chemical_system": "K-Nb-O-Pr-Sr",
"density": 4.577820151198007,
"density_atomic": 0.06038673039045294,
"volume": 165.5992953309654,
"volume_molar": 9.972622662398845,
"formula_full": "K1 Sr1 Pr1 Nb1 O6",
"formula_reduced": "KSrPrNbO6",
"formula_anonymous": "ABCDE6",
"energy": -76.35058106,
"energy_per_atom": -7.635058106,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -72.22858106,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.199000Z",
"spacegroup": 216
},
{
"id": "mp-19135",
"created_at": "2022-09-04T14:47:10.495667Z",
"structure_string": "Ni4 P8 O24\n1.0\n4.163579 5.897982 0.000000\n-4.163579 5.897982 0.000000\n0.000000 4.761074 8.781738\nNi P O\n4 8 24\ndirect\n0.445757 0.554243 0.250000 Ni\n0.554243 0.445757 0.750000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.230300 0.751722 0.976331 P\n0.248278 0.769700 0.523669 P\n0.769700 0.248278 0.023669 P\n0.751722 0.230300 0.476331 P\n0.811997 0.794573 0.196368 P\n0.205427 0.188003 0.303632 P\n0.188003 0.205427 0.803632 P\n0.794573 0.811997 0.696368 P\n0.652454 0.414547 0.094683 O\n0.585453 0.347546 0.405317 O\n0.347546 0.585453 0.905317 O\n0.414547 0.652454 0.594683 O\n0.309269 0.789592 0.082687 O\n0.210408 0.690731 0.417313 O\n0.690731 0.210408 0.917313 O\n0.789592 0.309269 0.582687 O\n0.619549 0.782349 0.174896 O\n0.217651 0.380451 0.325104 O\n0.380451 0.217651 0.825104 O\n0.782349 0.619549 0.674896 O\n0.033517 0.811952 0.653567 O\n0.188048 0.966483 0.846433 O\n0.966483 0.188048 0.346433 O\n0.811952 0.033517 0.153567 O\n0.713090 0.000754 0.564932 O\n0.999246 0.286910 0.935068 O\n0.286910 0.999246 0.435068 O\n0.000754 0.713090 0.064932 O\n0.689572 0.844046 0.848019 O\n0.155954 0.310428 0.651981 O\n0.310428 0.155954 0.151981 O\n0.844046 0.689572 0.348019 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 3.3362735118541504,
"density_atomic": 0.08346834010130949,
"volume": 431.3012569353253,
"volume_molar": 7.21488022008182,
"formula_full": "Ni4 P8 O24",
"formula_reduced": "Ni(PO3)2",
"formula_anonymous": "AB2C6",
"energy": -270.89091989,
"energy_per_atom": -7.524747774722223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -244.23891989,
"band_gap": 1.4862999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0001788,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.660000Z",
"spacegroup": 15
},
{
"id": "mp-1098082",
"created_at": "2022-09-04T14:47:10.498741Z",
"structure_string": "Cs1 Rb1 Mg6\n1.0\n5.042742 0.000000 0.000000\n0.000000 7.539919 0.000000\n0.000000 3.603194 7.907459\nCs Rb Mg\n1 1 6\ndirect\n0.000000 0.819561 0.863140 Cs\n0.000000 0.324669 0.852261 Rb\n0.000000 0.328147 0.342150 Mg\n0.000000 0.830669 0.342228 Mg\n0.500000 0.223541 0.553368 Mg\n0.500000 0.724096 0.552936 Mg\n0.500000 0.126261 0.244027 Mg\n0.500000 0.623055 0.249891 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Rb",
"Mg"
],
"chemical_system": "Cs-Mg-Rb",
"density": 2.011511586368147,
"density_atomic": 0.026608451966249082,
"volume": 300.6563482215135,
"volume_molar": 22.632435617219127,
"formula_full": "Cs1 Rb1 Mg6",
"formula_reduced": "CsRbMg6",
"formula_anonymous": "ABC6",
"energy": -9.31082591,
"energy_per_atom": -1.16385323875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -9.31082591,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:53.342000Z",
"spacegroup": 6
},
{
"id": "mp-1174668",
"created_at": "2022-09-04T14:47:10.512567Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.092127 0.000000 0.000000\n-0.884952 5.081309 0.000000\n-1.798062 -2.022435 9.759570\nLi Mn Co O\n8 2 4 14\ndirect\n0.709740 0.430069 0.925025 Li\n0.291097 0.574055 0.064457 Li\n0.858040 0.706826 0.211634 Li\n0.570405 0.145454 0.652934 Li\n0.150021 0.282239 0.786763 Li\n0.427058 0.854856 0.355666 Li\n0.997281 0.003191 0.502749 Li\n0.429272 0.857394 0.857728 Li\n0.996125 0.992365 0.997562 Mn\n0.712961 0.430193 0.427894 Mn\n0.565283 0.134637 0.134101 Co\n0.142769 0.284978 0.285650 Co\n0.293034 0.578802 0.582260 Co\n0.868712 0.727933 0.718325 Co\n0.805898 0.062672 0.831337 O\n0.349088 0.203252 0.978105 O\n0.940819 0.327573 0.109503 O\n0.638966 0.758138 0.529133 O\n0.195852 0.909854 0.675208 O\n0.508774 0.485990 0.258726 O\n0.054542 0.618189 0.396735 O\n0.668734 0.808204 0.039692 O\n0.207464 0.939080 0.172113 O\n0.777725 0.102953 0.321074 O\n0.499462 0.507889 0.737624 O\n0.056818 0.669196 0.897317 O\n0.367027 0.232445 0.453064 O\n0.917033 0.371574 0.597623 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1106723341176625,
"density_atomic": 0.11087982088542148,
"volume": 252.52566045298735,
"volume_molar": 5.4312324027137695,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.03807206,
"energy_per_atom": -6.5013597164285715,
"energy_above_hull": null,
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"is_magnetic": true,
"total_magnetization": 9.671528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.980000Z",
"spacegroup": 1
},
{
"id": "mp-1177688",
"created_at": "2022-09-04T14:47:10.542727Z",
"structure_string": "Li6 Fe8 P16 O56\n1.0\n9.596753 -0.069941 0.040837\n0.016435 9.757419 0.013739\n-2.246199 0.011164 11.042435\nLi Fe P O\n6 8 16 56\ndirect\n0.414099 0.598044 0.976906 Li\n0.332062 0.911948 0.462514 Li\n0.387912 0.213963 0.546794 Li\n0.915016 0.901265 0.977532 Li\n0.832163 0.588606 0.462589 Li\n0.886420 0.285564 0.546301 Li\n0.206360 0.913617 0.680254 Fe\n0.250128 0.207932 0.826029 Fe\n0.237621 0.722697 0.170273 Fe\n0.293253 0.434541 0.333800 Fe\n0.704335 0.587725 0.680127 Fe\n0.749408 0.296785 0.821224 Fe\n0.738970 0.777567 0.170372 Fe\n0.792718 0.065800 0.333915 Fe\n0.021059 0.443077 0.753078 P\n0.111768 0.709412 0.885766 P\n0.065446 0.918368 0.242178 P\n0.123634 0.147320 0.417082 P\n0.376888 0.641964 0.575904 P\n0.431840 0.422792 0.762050 P\n0.524848 0.056418 0.751793 P\n0.383720 0.214854 0.118117 P\n0.612915 0.791429 0.885463 P\n0.477259 0.946031 0.248055 P\n0.565286 0.581289 0.241726 P\n0.623556 0.352335 0.416889 P\n0.877241 0.858443 0.576156 P\n0.931461 0.076710 0.763003 P\n0.882070 0.284514 0.116870 P\n0.976646 0.553678 0.247497 P\n0.018554 0.420921 0.621944 O\n0.035604 0.853199 0.571817 O\n0.088031 0.082952 0.737105 O\n0.099602 0.584950 0.789966 O\n0.101820 0.336570 0.841196 O\n0.185397 0.820714 0.822827 O\n0.216129 0.659640 0.002154 O\n0.028895 0.250359 0.089473 O\n0.118696 0.068815 0.289560 O\n0.080351 0.899800 0.111588 O\n0.132756 0.543654 0.222902 O\n0.187511 0.287529 0.399510 O\n0.171678 0.815626 0.314338 O\n0.221905 0.065700 0.515848 O\n0.290505 0.565875 0.468869 O\n0.341619 0.301277 0.698680 O\n0.321413 0.786467 0.596159 O\n0.368886 0.039989 0.779221 O\n0.364698 0.560048 0.697810 O\n0.417302 0.426889 0.891476 O\n0.468464 0.756626 0.903918 O\n0.295227 0.164542 0.997124 O\n0.320329 0.329684 0.181301 O\n0.399824 0.091025 0.212233 O\n0.408749 0.588494 0.261447 O\n0.396069 0.841953 0.157333 O\n0.469052 0.343246 0.434501 O\n0.522456 0.080029 0.620534 O\n0.473181 0.924201 0.377594 O\n0.535172 0.647828 0.571154 O\n0.604998 0.166462 0.839124 O\n0.588322 0.418695 0.736637 O\n0.605204 0.916108 0.790273 O\n0.684965 0.679316 0.823126 O\n0.717128 0.840306 0.002481 O\n0.531185 0.251908 0.091581 O\n0.579471 0.599768 0.111011 O\n0.618684 0.431379 0.289363 O\n0.632953 0.956826 0.222810 O\n0.687236 0.212771 0.399469 O\n0.671921 0.684724 0.313633 O\n0.721695 0.434324 0.515753 O\n0.791053 0.933475 0.468650 O\n0.840266 0.197520 0.699644 O\n0.821284 0.713125 0.596326 O\n0.863427 0.456237 0.780544 O\n0.919925 0.069937 0.892894 O\n0.864147 0.939696 0.697356 O\n0.968114 0.743942 0.904707 O\n0.793795 0.333923 0.995398 O\n0.819376 0.169630 0.181452 O\n0.896264 0.657829 0.157130 O\n0.898920 0.408366 0.211169 O\n0.908612 0.910819 0.261254 O\n0.969393 0.156177 0.434847 O\n0.972471 0.574911 0.377202 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.0164108543166734,
"density_atomic": 0.08309845535950286,
"volume": 1034.9169503565909,
"volume_molar": 7.246994825531769,
"formula_full": "Li6 Fe8 P16 O56",
"formula_reduced": "Li3Fe4(P2O7)4",
"formula_anonymous": "A3B4C8D28",
"energy": -647.15709931,
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"updated_at": "2021-11-28T01:37:53.892000Z",
"spacegroup": 7
},
{
"id": "mp-1076513",
"created_at": "2022-09-04T14:47:10.558868Z",
"structure_string": "La28 Sm4 Mn28 Cu4 O80\n1.0\n-0.001452 -0.003961 11.348445\n11.733015 -0.012917 -0.001455\n-5.884059 15.868605 -5.678342\nLa Sm Mn Cu O\n28 4 28 4 80\ndirect\n0.292126 0.062070 0.110169 La\n0.298740 0.065429 0.611625 La\n0.298947 0.564947 0.613783 La\n0.799479 0.065743 0.613136 La\n0.803226 0.570428 0.106699 La\n0.800089 0.565556 0.613581 La\n0.186282 0.433479 0.386140 La\n0.181753 0.436218 0.891641 La\n0.185438 0.933492 0.384437 La\n0.184249 0.935291 0.890380 La\n0.685257 0.435273 0.385533 La\n0.685503 0.933447 0.387334 La\n0.687761 0.932494 0.893672 La\n0.046627 0.288402 0.109001 La\n0.049291 0.298994 0.613598 La\n0.048850 0.798130 0.612614 La\n0.549438 0.284100 0.108595 La\n0.548674 0.298303 0.614171 La\n0.550140 0.799372 0.110229 La\n0.549385 0.798011 0.613470 La\n0.435862 0.202099 0.386718 La\n0.439539 0.205648 0.889821 La\n0.434985 0.700097 0.384462 La\n0.444156 0.710912 0.892497 La\n0.934540 0.202163 0.385693 La\n0.936907 0.209712 0.891536 La\n0.934270 0.700544 0.384994 La\n0.931653 0.711303 0.893621 La\n0.286696 0.569900 0.108939 Sm\n0.794322 0.063198 0.108016 Sm\n0.690200 0.435216 0.892787 Sm\n0.042097 0.789249 0.107842 Sm\n0.001338 0.999754 0.499368 Mn\n0.001061 0.499998 0.499409 Mn\n0.500754 0.999370 0.499393 Mn\n0.502276 0.502029 0.002445 Mn\n0.501193 0.499926 0.499668 Mn\n0.252725 0.252417 0.002596 Mn\n0.250737 0.249872 0.499561 Mn\n0.250076 0.750431 0.000206 Mn\n0.251322 0.749597 0.499460 Mn\n0.751535 0.249363 0.000731 Mn\n0.750862 0.250008 0.499680 Mn\n0.750556 0.749384 0.499215 Mn\n0.104009 0.096283 0.249710 Mn\n0.107869 0.101888 0.751844 Mn\n0.108040 0.599145 0.250553 Mn\n0.107734 0.602010 0.752920 Mn\n0.608129 0.098395 0.251766 Mn\n0.608195 0.100921 0.751374 Mn\n0.602645 0.597377 0.243782 Mn\n0.605940 0.596743 0.749654 Mn\n0.355816 0.399988 0.246216 Mn\n0.359447 0.401932 0.753303 Mn\n0.352402 0.895790 0.246614 Mn\n0.356667 0.901202 0.748546 Mn\n0.854746 0.398052 0.246862 Mn\n0.854321 0.402048 0.749158 Mn\n0.859165 0.903190 0.250414 Mn\n0.855782 0.900968 0.749543 Mn\n0.997405 0.998980 0.001273 Cu\n0.998462 0.500213 0.000977 Cu\n0.496882 0.000520 0.999959 Cu\n0.748358 0.751054 0.001497 Cu\n0.111844 0.116702 0.475655 O\n0.112999 0.120797 0.981966 O\n0.110792 0.616526 0.474737 O\n0.114470 0.619486 0.985582 O\n0.610592 0.116000 0.474326 O\n0.612798 0.120298 0.983430 O\n0.610611 0.616324 0.474163 O\n0.615723 0.614199 0.976057 O\n0.134414 0.384871 0.021784 O\n0.135902 0.383401 0.524484 O\n0.129561 0.879568 0.023847 O\n0.136414 0.883483 0.525168 O\n0.633382 0.380374 0.019428 O\n0.635290 0.382768 0.524244 O\n0.633228 0.884365 0.020694 O\n0.635956 0.883139 0.523055 O\n0.361717 0.108677 0.476490 O\n0.365262 0.112644 0.978940 O\n0.360915 0.607217 0.473616 O\n0.363904 0.610445 0.978751 O\n0.861400 0.108233 0.474911 O\n0.864329 0.110432 0.981588 O\n0.861482 0.608610 0.474507 O\n0.860869 0.606861 0.981185 O\n0.384144 0.395767 0.025314 O\n0.385939 0.390607 0.523756 O\n0.384546 0.890575 0.020971 O\n0.387326 0.891596 0.525544 O\n0.882193 0.387466 0.015973 O\n0.886713 0.391917 0.524710 O\n0.882209 0.891286 0.024122 O\n0.884843 0.890443 0.522358 O\n0.123336 0.133385 0.153244 O\n0.101676 0.120060 0.640673 O\n0.122052 0.633847 0.151563 O\n0.101785 0.619902 0.641148 O\n0.628693 0.127179 0.152716 O\n0.602427 0.119760 0.640291 O\n0.614649 0.624565 0.140105 O\n0.601293 0.617104 0.639165 O\n0.460739 0.380344 0.357671 O\n0.473290 0.380005 0.859379 O\n0.457803 0.880007 0.358774 O\n0.470651 0.870381 0.848922 O\n0.960596 0.380233 0.358700 O\n0.967837 0.369492 0.849095 O\n0.963611 0.881629 0.360569 O\n0.970632 0.870473 0.850137 O\n0.358458 0.267723 0.140387 O\n0.353096 0.272771 0.641097 O\n0.359287 0.769950 0.139148 O\n0.351265 0.769680 0.638277 O\n0.854044 0.268328 0.138533 O\n0.849186 0.271302 0.638440 O\n0.877052 0.772149 0.151729 O\n0.850118 0.771050 0.637949 O\n0.210592 0.226520 0.361012 O\n0.217034 0.229397 0.861234 O\n0.213037 0.730346 0.361502 O\n0.217819 0.728951 0.861565 O\n0.712681 0.230360 0.361628 O\n0.712734 0.229393 0.861171 O\n0.708094 0.726140 0.357270 O\n0.717836 0.728838 0.850879 O\n0.423058 0.066646 0.250640 O\n0.421242 0.071496 0.749457 O\n0.415408 0.570436 0.243500 O\n0.421296 0.569511 0.750144 O\n0.916559 0.071500 0.245537 O\n0.921687 0.070426 0.749965 O\n0.922973 0.567610 0.249298 O\n0.921149 0.570405 0.750625 O\n0.172331 0.429920 0.250021 O\n0.172637 0.430856 0.750773 O\n0.166052 0.925233 0.244582 O\n0.172381 0.931250 0.750044 O\n0.670059 0.430532 0.248727 O\n0.671173 0.428631 0.755790 O\n0.674147 0.929485 0.251342 O\n0.671747 0.931653 0.749793 O\n",
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"elements": [
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"Mn",
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],
"chemical_system": "Cu-La-Mn-O-Sm",
"density": 5.947045409544889,
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"formula_full": "La28 Sm4 Mn28 Cu4 O80",
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"updated_at": "2021-11-28T01:37:56.833000Z",
"spacegroup": 1
},
{
"id": "mp-556940",
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"structure_string": "Mg16 Si16 O48\n1.0\n5.290159 0.000000 0.000000\n0.000000 9.185069 0.000000\n0.000000 0.000000 18.429241\nMg Si O\n16 16 48\ndirect\n0.644171 0.155325 0.389827 Mg\n0.144171 0.344675 0.389827 Mg\n0.154576 0.495527 0.133572 Mg\n0.855829 0.155325 0.889827 Mg\n0.654576 0.504473 0.366428 Mg\n0.644171 0.655325 0.110173 Mg\n0.845424 0.004473 0.633572 Mg\n0.144171 0.844675 0.110173 Mg\n0.154576 0.995527 0.366428 Mg\n0.654576 0.004473 0.133572 Mg\n0.355829 0.844675 0.610173 Mg\n0.345424 0.495527 0.633572 Mg\n0.345424 0.995527 0.866428 Mg\n0.355829 0.344675 0.889827 Mg\n0.855829 0.655325 0.610173 Mg\n0.845424 0.504473 0.866428 Mg\n0.577784 0.782756 0.740456 Si\n0.577784 0.282756 0.759544 Si\n0.201755 0.166042 0.034824 Si\n0.298245 0.666042 0.965176 Si\n0.922216 0.282756 0.259544 Si\n0.922216 0.782756 0.240456 Si\n0.077784 0.717244 0.740456 Si\n0.077784 0.217244 0.759544 Si\n0.798245 0.833958 0.965176 Si\n0.701755 0.333958 0.034824 Si\n0.422216 0.217244 0.259544 Si\n0.798245 0.333958 0.534824 Si\n0.298245 0.166042 0.534824 Si\n0.701755 0.833958 0.465176 Si\n0.422216 0.717244 0.240456 Si\n0.201755 0.666042 0.465176 Si\n0.196504 0.655933 0.553991 O\n0.678650 0.232881 0.206707 O\n0.681845 0.971415 0.923056 O\n0.929437 0.440409 0.298738 O\n0.540755 0.171170 0.827734 O\n0.178650 0.267119 0.206707 O\n0.681845 0.471415 0.576944 O\n0.181845 0.028585 0.576944 O\n0.040755 0.328830 0.827734 O\n0.929437 0.940409 0.201262 O\n0.070563 0.059591 0.798738 O\n0.318155 0.528585 0.423056 O\n0.959245 0.671170 0.172266 O\n0.070563 0.559591 0.701262 O\n0.821350 0.732881 0.793293 O\n0.459245 0.828830 0.172266 O\n0.892864 0.192096 0.058437 O\n0.696504 0.844067 0.553991 O\n0.196504 0.155933 0.946009 O\n0.303496 0.155933 0.446009 O\n0.892864 0.692096 0.441563 O\n0.107136 0.807904 0.941563 O\n0.607136 0.192096 0.558437 O\n0.821350 0.232881 0.706707 O\n0.607136 0.692096 0.941563 O\n0.959245 0.171170 0.327734 O\n0.678650 0.732881 0.293293 O\n0.803496 0.844067 0.053991 O\n0.321350 0.767119 0.793293 O\n0.570563 0.440409 0.798738 O\n0.181845 0.528585 0.923056 O\n0.803496 0.344067 0.446009 O\n0.696504 0.344067 0.946009 O\n0.429437 0.059591 0.298738 O\n0.459245 0.328830 0.327734 O\n0.040755 0.828830 0.672266 O\n0.321350 0.267119 0.706707 O\n0.318155 0.028585 0.076944 O\n0.392864 0.307904 0.058437 O\n0.392864 0.807904 0.441563 O\n0.429437 0.559591 0.201262 O\n0.178650 0.767119 0.293293 O\n0.818155 0.971415 0.423056 O\n0.818155 0.471415 0.076944 O\n0.540755 0.671170 0.672266 O\n0.107136 0.307904 0.558437 O\n0.570563 0.940409 0.701262 O\n0.303496 0.655933 0.053991 O\n",
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"elements": [
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],
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"formula_full": "Mg16 Si16 O48",
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},
{
"id": "mp-1207381",
"created_at": "2022-09-04T14:39:05.577892Z",
"structure_string": "Zr2 Si6 Pd6\n1.0\n1.925552 -7.866639 0.000000\n1.925552 7.866639 0.000000\n0.000000 0.000000 7.132011\nZr Si Pd\n2 6 6\ndirect\n0.988809 0.011191 0.250000 Zr\n0.011191 0.988809 0.750000 Zr\n0.573641 0.426359 0.032287 Si\n0.426359 0.573641 0.967713 Si\n0.426359 0.573641 0.532287 Si\n0.573641 0.426359 0.467713 Si\n0.738232 0.261768 0.250000 Si\n0.261768 0.738232 0.750000 Si\n0.339750 0.660250 0.250000 Pd\n0.660250 0.339750 0.750000 Pd\n0.824669 0.175331 0.553075 Pd\n0.175331 0.824669 0.446925 Pd\n0.175331 0.824669 0.053075 Pd\n0.824669 0.175331 0.946925 Pd\n",
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],
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"density": 7.6044898501746925,
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"formula_full": "Zr2 Si6 Pd6",
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{
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"structure_string": "Ca9 Al6 O18\n1.0\n7.667807 0.000000 0.000000\n0.000000 7.667807 0.000000\n0.000000 0.000000 7.667807\nCa Al O\n9 6 18\ndirect\n0.792239 0.792239 0.207761 Ca\n0.207761 0.207761 0.792239 Ca\n0.792239 0.792239 0.792239 Ca\n0.792239 0.207761 0.207761 Ca\n0.500000 0.500000 0.500000 Ca\n0.792239 0.207761 0.792239 Ca\n0.207761 0.792239 0.792239 Ca\n0.207761 0.792239 0.207761 Ca\n0.207761 0.207761 0.207761 Ca\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.733252 O\n0.000000 0.266748 0.000000 O\n0.000000 0.500000 0.737295 O\n0.500000 0.737295 0.000000 O\n0.262705 0.000000 0.500000 O\n0.737295 0.000000 0.500000 O\n0.733252 0.000000 0.000000 O\n0.000000 0.000000 0.266748 O\n0.000000 0.500000 0.262705 O\n0.500000 0.262705 0.000000 O\n0.000000 0.737295 0.500000 O\n0.500000 0.000000 0.737295 O\n0.262705 0.500000 0.000000 O\n0.266748 0.000000 0.000000 O\n0.000000 0.733252 0.000000 O\n0.000000 0.262705 0.500000 O\n0.737295 0.500000 0.000000 O\n0.500000 0.000000 0.262705 O\n",
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"formula_full": "Ca9 Al6 O18",
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{
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"structure_string": "Ce1 H3\n1.0\n0.000000 2.725240 2.725240\n2.725240 0.000000 2.725240\n2.725240 2.725240 0.000000\nCe H\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 H\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
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]
}