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_magnetic&page=17",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=15",
"results": [
{
"id": "mp-1221536",
"created_at": "2022-09-04T14:44:41.967126Z",
"structure_string": "Mn4 Sn2 Pd6\n1.0\n2.244990 -3.888437 0.000000\n2.244990 3.888437 0.000000\n0.000000 0.000000 11.106241\nMn Sn Pd\n4 2 6\ndirect\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.161412 Mn\n0.666667 0.333333 0.838588 Mn\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.668514 Sn\n0.666667 0.333333 0.331486 Sn\n0.333333 0.666667 0.416443 Pd\n0.666667 0.333333 0.078033 Pd\n0.000000 0.000000 0.755097 Pd\n0.000000 0.000000 0.244903 Pd\n0.333333 0.666667 0.921967 Pd\n0.666667 0.333333 0.583557 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"Pd"
],
"chemical_system": "Mn-Pd-Sn",
"density": 9.383202583850629,
"density_atomic": 0.06188632295512608,
"volume": 193.90391005620464,
"volume_molar": 9.730972002273697,
"formula_full": "Mn4 Sn2 Pd6",
"formula_reduced": "Mn2SnPd3",
"formula_anonymous": "AB2C3",
"energy": -79.896208,
"energy_per_atom": -6.6580173333333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.896208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.1469747,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.700000Z",
"spacegroup": 164
},
{
"id": "mp-1033183",
"created_at": "2022-09-04T14:44:43.134851Z",
"structure_string": "Mg6 Al1 Fe1 O8\n1.0\n8.637755 0.000000 0.000000\n0.000000 4.243664 0.000000\n0.000000 0.000000 4.243664\nMg Al Fe O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.245756 0.000000 0.500000 Mg\n0.754244 0.000000 0.500000 Mg\n0.245756 0.500000 0.000000 Mg\n0.754244 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Fe\n0.223674 0.000000 0.000000 O\n0.776326 0.000000 0.000000 O\n0.266670 0.500000 0.500000 O\n0.733330 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-Mg-O",
"density": 3.8072428545626145,
"density_atomic": 0.10285777369533276,
"volume": 155.55460151599615,
"volume_molar": 5.854823163718989,
"formula_full": "Mg6 Al1 Fe1 O8",
"formula_reduced": "Mg6AlFeO8",
"formula_anonymous": "ABC6D8",
"energy": -104.19342341,
"energy_per_atom": -6.512088963125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.44142341,
"band_gap": 0.4775999999999989,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.1907674,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.386000Z",
"spacegroup": 123
},
{
"id": "mp-1110919",
"created_at": "2022-09-04T14:44:41.563639Z",
"structure_string": "K2 Ce1 Ag1 Br6\n1.0\n0.000000 5.740887 5.740887\n5.740887 0.000000 5.740887\n5.740887 5.740887 0.000000\nK Ce Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.751558 0.248442 0.248442 Br\n0.248442 0.248442 0.751558 Br\n0.248442 0.751558 0.751558 Br\n0.248442 0.751558 0.248442 Br\n0.751558 0.248442 0.751558 Br\n0.751558 0.751558 0.248442 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ce",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Ce-K",
"density": 3.5351199244655507,
"density_atomic": 0.026426096016271414,
"volume": 378.41382222492007,
"volume_molar": 22.78861302968085,
"formula_full": "K2 Ce1 Ag1 Br6",
"formula_reduced": "K2CeAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -38.82179778,
"energy_per_atom": -3.882179778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.61779778,
"band_gap": 2.5986,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9962569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.906000Z",
"spacegroup": 225
},
{
"id": "mp-1213113",
"created_at": "2022-09-04T14:44:42.507354Z",
"structure_string": "Er10 Ge4 Sb4\n1.0\n3.923037 -7.508443 0.000000\n3.923037 7.508443 0.000000\n0.000000 0.000000 7.877088\nEr Ge Sb\n10 4 4\ndirect\n0.036615 0.292653 0.336003 Er\n0.963385 0.707347 0.663997 Er\n0.463385 0.207347 0.836003 Er\n0.792653 0.536615 0.163997 Er\n0.536615 0.792653 0.163997 Er\n0.207347 0.463385 0.836003 Er\n0.707347 0.963385 0.663997 Er\n0.292653 0.036615 0.336003 Er\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.361223 0.361223 0.137667 Ge\n0.638777 0.638777 0.862333 Ge\n0.138777 0.138777 0.637667 Ge\n0.861223 0.861223 0.362333 Ge\n0.795053 0.204947 0.000000 Sb\n0.204947 0.795053 0.000000 Sb\n0.704947 0.295053 0.500000 Sb\n0.295053 0.704947 0.500000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Er",
"Ge",
"Sb"
],
"chemical_system": "Er-Ge-Sb",
"density": 8.767602971822587,
"density_atomic": 0.0387886370592654,
"volume": 464.0534281340612,
"volume_molar": 15.525528135465894,
"formula_full": "Er10 Ge4 Sb4",
"formula_reduced": "Er5(GeSb)2",
"formula_anonymous": "A2B2C5",
"energy": -98.55570473,
"energy_per_atom": -5.475316929444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.78770473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5136862,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.026000Z",
"spacegroup": 64
},
{
"id": "mp-31517",
"created_at": "2022-09-04T14:44:42.603555Z",
"structure_string": "Ta8 Co4 O24\n1.0\n4.804876 -0.000058 -0.000269\n-0.000458 -4.804289 9.205171\n0.000117 -9.610593 -0.001050\nTa Co O\n8 4 24\ndirect\n0.500087 0.169312 0.165329 Ta\n0.500020 0.169295 0.665409 Ta\n0.000043 0.669278 0.165400 Ta\n0.999950 0.669277 0.665346 Ta\n0.499913 0.830688 0.834671 Ta\n0.499980 0.830705 0.334591 Ta\n0.000050 0.330723 0.334654 Ta\n0.999957 0.330722 0.834600 Ta\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.188442 0.500020 0.844229 O\n0.188451 0.499979 0.344213 O\n0.811559 0.499980 0.155771 O\n0.811549 0.500021 0.655787 O\n0.311547 0.000021 0.344229 O\n0.311552 0.999976 0.844218 O\n0.688448 0.000024 0.155782 O\n0.688453 0.999979 0.655771 O\n0.204473 0.176516 0.014015 O\n0.204666 0.176606 0.514004 O\n0.795450 0.176557 0.309440 O\n0.795205 0.176650 0.809268 O\n0.295317 0.676615 0.014010 O\n0.295487 0.676532 0.514032 O\n0.704532 0.676554 0.809462 O\n0.704733 0.676624 0.309306 O\n0.795526 0.823484 0.985984 O\n0.795334 0.823394 0.485996 O\n0.204550 0.823443 0.690560 O\n0.204795 0.823350 0.190732 O\n0.704683 0.323385 0.985990 O\n0.704513 0.323468 0.485968 O\n0.295468 0.323446 0.190538 O\n0.295267 0.323376 0.690694 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ta",
"Co",
"O"
],
"chemical_system": "Co-O-Ta",
"density": 8.075397481002778,
"density_atomic": 0.08468636819553609,
"volume": 425.0979321356421,
"volume_molar": 7.111109955849346,
"formula_full": "Ta8 Co4 O24",
"formula_reduced": "Ta2CoO6",
"formula_anonymous": "AB2C6",
"energy": -346.94102978,
"energy_per_atom": -9.637250827222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.90102978,
"band_gap": 2.004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.843000Z",
"spacegroup": 136
},
{
"id": "mp-1177788",
"created_at": "2022-09-04T14:44:43.737111Z",
"structure_string": "Li2 V1 Fe1 O4\n1.0\n2.966627 0.000000 0.000000\n0.000000 5.211528 0.000000\n0.000000 1.819437 4.917051\nLi V Fe O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 Fe\n0.000000 0.274357 0.241155 O\n0.500000 0.268754 0.739137 O\n0.000000 0.725643 0.758845 O\n0.500000 0.731246 0.260863 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.033699501807052,
"density_atomic": 0.10523428476290372,
"volume": 76.02085212081083,
"volume_molar": 5.722603402083342,
"formula_full": "Li2 V1 Fe1 O4",
"formula_reduced": "Li2VFeO4",
"formula_anonymous": "ABC2D4",
"energy": -58.75953488,
"energy_per_atom": -7.34494186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.05553488,
"band_gap": 1.1175000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.940000Z",
"spacegroup": 10
},
{
"id": "mp-849488",
"created_at": "2022-09-04T14:44:42.148045Z",
"structure_string": "Li5 Mn10 B10 O30\n1.0\n5.301570 0.000000 0.000000\n2.332130 5.304073 0.000000\n0.197240 0.090095 22.208228\nLi Mn B O\n5 10 10 30\ndirect\n0.385531 0.051616 0.388893 Li\n0.026603 0.143674 0.813343 Li\n0.783291 0.253967 0.588435 Li\n0.984708 0.852083 0.189324 Li\n0.579888 0.653837 0.989133 Li\n0.522565 0.136438 0.881231 Mn\n0.276402 0.265231 0.522393 Mn\n0.877379 0.067594 0.323598 Mn\n0.331578 0.523880 0.279066 Mn\n0.930079 0.322740 0.077580 Mn\n0.075599 0.670948 0.921769 Mn\n0.665876 0.478237 0.726116 Mn\n0.123858 0.926090 0.677984 Mn\n0.730296 0.723469 0.478936 Mn\n0.476705 0.867159 0.123385 Mn\n0.576828 0.002137 0.750224 B\n0.226701 0.393503 0.651321 B\n0.821849 0.197674 0.452459 B\n0.377652 0.403269 0.145657 B\n0.971977 0.206822 0.944642 B\n0.021597 0.800222 0.052730 B\n0.627106 0.598489 0.856429 B\n0.175903 0.803065 0.545631 B\n0.778358 0.603414 0.345961 B\n0.422938 0.997842 0.252766 B\n0.000425 0.130133 0.404014 O\n0.404399 0.067812 0.798250 O\n0.480396 0.122736 0.301606 O\n0.003013 0.327586 0.659478 O\n0.595462 0.135759 0.456462 O\n0.169030 0.303787 0.932591 O\n0.782700 0.098606 0.741192 O\n0.351610 0.226436 0.105372 O\n0.953106 0.040327 0.899324 O\n0.400674 0.318752 0.602051 O\n0.207374 0.489332 0.193497 O\n0.796076 0.284503 0.991456 O\n0.288626 0.531941 0.695590 O\n0.877959 0.322063 0.501518 O\n0.415768 0.523562 0.866721 O\n0.572647 0.501079 0.130065 O\n0.151458 0.625522 0.505510 O\n0.753542 0.426362 0.305671 O\n0.194159 0.742367 0.003498 O\n0.802698 0.514527 0.807851 O\n0.605678 0.689206 0.393512 O\n0.076062 0.924975 0.102101 O\n0.674742 0.743501 0.902434 O\n0.196581 0.936067 0.257459 O\n0.798698 0.732347 0.057214 O\n0.372048 0.900104 0.530842 O\n0.973382 0.701721 0.330974 O\n0.549219 0.839688 0.706673 O\n0.599251 0.929884 0.203946 O\n0.001479 0.890221 0.592884 O\n",
"nsites": 55,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1168403649782617,
"density_atomic": 0.08807137755430686,
"volume": 624.493467995158,
"volume_molar": 6.837795578122539,
"formula_full": "Li5 Mn10 B10 O30",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -449.96760744,
"energy_per_atom": -8.181229226181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -412.67760744,
"band_gap": 0.3035000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.0508895,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.830000Z",
"spacegroup": 1
},
{
"id": "mp-1199869",
"created_at": "2022-09-04T14:44:41.574475Z",
"structure_string": "U2 Zn40 Ru4\n1.0\n0.000000 7.120416 7.120416\n7.120416 0.000000 7.120416\n7.120416 7.120416 0.000000\nU Zn Ru\n2 40 4\ndirect\n0.500000 0.500000 0.500000 U\n0.750000 0.750000 0.750000 U\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.863515 0.863515 0.136485 Zn\n0.136485 0.136485 0.863515 Zn\n0.863515 0.136485 0.863515 Zn\n0.136485 0.863515 0.136485 Zn\n0.136485 0.863515 0.863515 Zn\n0.863515 0.136485 0.136485 Zn\n0.386485 0.386485 0.113515 Zn\n0.113515 0.113515 0.386485 Zn\n0.386485 0.113515 0.386485 Zn\n0.113515 0.386485 0.113515 Zn\n0.113515 0.386485 0.386485 Zn\n0.386485 0.113515 0.113515 Zn\n0.568529 0.300518 0.300518 Zn\n0.300518 0.568529 0.830436 Zn\n0.300518 0.830436 0.568529 Zn\n0.830436 0.300518 0.300518 Zn\n0.300518 0.300518 0.568529 Zn\n0.568529 0.830436 0.300518 Zn\n0.830436 0.568529 0.300518 Zn\n0.300518 0.300518 0.830436 Zn\n0.300518 0.568529 0.300518 Zn\n0.830436 0.300518 0.568529 Zn\n0.568529 0.300518 0.830436 Zn\n0.300518 0.830436 0.300518 Zn\n0.681471 0.949482 0.949482 Zn\n0.949482 0.681471 0.419564 Zn\n0.949482 0.419564 0.681471 Zn\n0.419564 0.949482 0.949482 Zn\n0.949482 0.949482 0.681471 Zn\n0.681471 0.419564 0.949482 Zn\n0.419564 0.681471 0.949482 Zn\n0.949482 0.949482 0.419564 Zn\n0.949482 0.681471 0.949482 Zn\n0.419564 0.949482 0.681471 Zn\n0.681471 0.949482 0.419564 Zn\n0.949482 0.419564 0.949482 Zn\n0.625000 0.125000 0.125000 Ru\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.625000 Ru\n0.125000 0.125000 0.125000 Ru\n",
"nsites": 46,
"nelements": 3,
"elements": [
"U",
"Zn",
"Ru"
],
"chemical_system": "Ru-U-Zn",
"density": 8.041945070132979,
"density_atomic": 0.063710605676821,
"volume": 722.0147966154963,
"volume_molar": 9.452336382654977,
"formula_full": "U2 Zn40 Ru4",
"formula_reduced": "U(Zn10Ru)2",
"formula_anonymous": "AB2C20",
"energy": -116.05358669999998,
"energy_per_atom": -2.522904058695652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.05358669999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6029983,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.517000Z",
"spacegroup": 227
},
{
"id": "mp-1222511",
"created_at": "2022-09-04T14:44:42.950445Z",
"structure_string": "Mn2 H6 C10 N2 O12\n1.0\n-3.960112 -6.999916 0.060856\n7.999043 -0.043364 -0.009620\n0.028454 -4.732471 7.423937\nMn H C N O\n2 6 10 2 12\ndirect\n0.998921 0.498132 0.500096 Mn\n0.999996 0.999117 0.000305 Mn\n0.508307 0.649968 0.245234 H\n0.897020 0.257465 0.257984 H\n0.097185 0.850361 0.246378 H\n0.102565 0.745604 0.742347 H\n0.898917 0.147378 0.753222 H\n0.491548 0.347832 0.754547 H\n0.508072 0.787519 0.247204 C\n0.034480 0.256345 0.256193 C\n0.962044 0.713857 0.246715 C\n0.961844 0.741437 0.745664 C\n0.035934 0.282479 0.752076 C\n0.491953 0.210280 0.752791 C\n0.365783 0.167151 0.418527 C\n0.396304 0.671222 0.918316 C\n0.601834 0.779170 0.580968 C\n0.592285 0.287944 0.080528 C\n0.481613 0.231031 0.249431 N\n0.499383 0.726323 0.749565 N\n0.322691 0.774486 0.340176 O\n0.110473 0.352432 0.349697 O\n0.885009 0.543426 0.339518 O\n0.876973 0.828963 0.839468 O\n0.110661 0.261366 0.846184 O\n0.301070 0.039175 0.845880 O\n0.676708 0.222809 0.660824 O\n0.887972 0.644535 0.651312 O\n0.115896 0.453886 0.658276 O\n0.113126 0.163074 0.165855 O\n0.888401 0.734051 0.151526 O\n0.698466 0.958509 0.153654 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Mn",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-Mn-N-O",
"density": 1.8254474054420382,
"density_atomic": 0.07713832284133815,
"volume": 414.83919822601223,
"volume_molar": 7.806937639008088,
"formula_full": "Mn2 H6 C10 N2 O12",
"formula_reduced": "MnH3C5NO6",
"formula_anonymous": "ABC3D5E6",
"energy": -228.63018729,
"energy_per_atom": -7.1446933528125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -216.32818729,
"band_gap": 0.1019999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.682000Z",
"spacegroup": 1
},
{
"id": "mp-1043895",
"created_at": "2022-09-04T14:44:42.224965Z",
"structure_string": "Ca2 La2 Cr2 Fe2 O12\n1.0\n5.529269 0.000034 -0.000021\n0.000034 5.506513 0.011932\n-0.000029 0.017266 7.710564\nCa La Cr Fe O\n2 2 2 2 12\ndirect\n0.537501 0.511399 0.250406 Ca\n0.962502 0.011393 0.750398 Ca\n0.028429 0.991355 0.248519 La\n0.471570 0.491354 0.748523 La\n0.500492 0.999775 0.498946 Cr\n0.999513 0.499782 0.998937 Cr\n0.499715 0.999435 0.000097 Fe\n0.000286 0.499440 0.500095 Fe\n0.013567 0.580751 0.756889 O\n0.216218 0.216517 0.955774 O\n0.223961 0.208132 0.542435 O\n0.276034 0.708140 0.042437 O\n0.283787 0.716523 0.455776 O\n0.486429 0.080743 0.256892 O\n0.517105 0.927059 0.743864 O\n0.720507 0.279052 0.541694 O\n0.727264 0.286515 0.961376 O\n0.772737 0.786522 0.461375 O\n0.779489 0.779055 0.041695 O\n0.982895 0.427058 0.243871 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Cr",
"Fe",
"O"
],
"chemical_system": "Ca-Cr-Fe-La-O",
"density": 5.415597582400492,
"density_atomic": 0.08519254039819707,
"volume": 234.76233842210038,
"volume_molar": 7.068859235623226,
"formula_full": "Ca2 La2 Cr2 Fe2 O12",
"formula_reduced": "CaLaCrFeO6",
"formula_anonymous": "ABCDE6",
"energy": -164.23981429999998,
"energy_per_atom": -8.211990714999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.4858143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.993967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.612000Z",
"spacegroup": 7
},
{
"id": "mp-1105281",
"created_at": "2022-09-04T14:44:43.134085Z",
"structure_string": "Cr2 N4 O8\n1.0\n0.000000 -7.058326 0.000000\n-3.846880 3.529163 1.486550\n-2.048455 0.000000 -9.102742\nCr N O\n2 4 8\ndirect\n0.201054 0.402108 0.191860 Cr\n0.798946 0.597892 0.808140 Cr\n0.432828 0.865655 0.252143 N\n0.567172 0.134345 0.747857 N\n0.892305 0.784609 0.298796 N\n0.107695 0.215391 0.701204 N\n0.370102 0.740204 0.366169 O\n0.629898 0.259796 0.633831 O\n0.037359 0.074717 0.338628 O\n0.962641 0.925283 0.661372 O\n0.958182 0.301856 0.106137 O\n0.343674 0.301856 0.106137 O\n0.041818 0.698144 0.893863 O\n0.656326 0.698144 0.893863 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O",
"density": 1.7801902003149646,
"density_atomic": 0.05211124436713103,
"volume": 268.6560294236698,
"volume_molar": 11.556317322943151,
"formula_full": "Cr2 N4 O8",
"formula_reduced": "Cr(NO2)2",
"formula_anonymous": "AB2C4",
"energy": -97.35354574,
"energy_per_atom": -6.953824695714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.85954574,
"band_gap": 0.0594000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9998273,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.383000Z",
"spacegroup": 12
},
{
"id": "mp-764945",
"created_at": "2022-09-04T14:44:46.153525Z",
"structure_string": "Li6 Co6 Si6 O24\n1.0\n5.046424 -6.907240 0.000000\n5.046424 6.907240 0.000000\n-4.407788 0.000000 7.331287\nLi Co Si O\n6 6 6 24\ndirect\n0.894368 0.123594 0.721663 Li\n0.431342 0.209431 0.607074 Li\n0.607074 0.431342 0.209431 Li\n0.721663 0.894368 0.123594 Li\n0.209431 0.607074 0.431342 Li\n0.123594 0.721663 0.894368 Li\n0.457148 0.052819 0.233163 Co\n0.767664 0.534461 0.943453 Co\n0.943453 0.767664 0.534461 Co\n0.052819 0.233163 0.457148 Co\n0.233163 0.457148 0.052819 Co\n0.534461 0.943453 0.767664 Co\n0.875591 0.280130 0.094887 Si\n0.794675 0.387428 0.568592 Si\n0.280130 0.094887 0.875591 Si\n0.387428 0.568592 0.794675 Si\n0.568592 0.794675 0.387428 Si\n0.094887 0.875591 0.280130 Si\n0.990350 0.305222 0.972791 O\n0.726448 0.065426 0.005435 O\n0.913197 0.267712 0.582457 O\n0.766220 0.408483 0.086696 O\n0.929384 0.602083 0.637041 O\n0.635674 0.295221 0.358128 O\n0.693183 0.374404 0.703244 O\n0.408483 0.086696 0.766220 O\n0.303721 0.023344 0.349067 O\n0.349067 0.303721 0.023344 O\n0.065426 0.005435 0.726448 O\n0.703244 0.693183 0.374403 O\n0.972791 0.990350 0.305222 O\n0.602083 0.637041 0.929384 O\n0.295221 0.358128 0.635674 O\n0.358128 0.635674 0.295221 O\n0.637041 0.929384 0.602083 O\n0.267712 0.582457 0.913197 O\n0.582457 0.913197 0.267712 O\n0.374404 0.703244 0.693183 O\n0.023344 0.349067 0.303721 O\n0.305222 0.972791 0.990350 O\n0.086696 0.766220 0.408483 O\n0.005435 0.726448 0.065426 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.079225788823332,
"density_atomic": 0.08217709601172314,
"volume": 511.09131422712244,
"volume_molar": 7.328247227355052,
"formula_full": "Li6 Co6 Si6 O24",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy": -304.51106467999995,
"energy_per_atom": -7.250263444761903,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -278.19506468,
"band_gap": 0.3476000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9950173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.830000Z",
"spacegroup": 146
}
]
}