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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=67",
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"results": [
{
"id": "mp-1245188",
"created_at": "2022-09-04T14:45:59.259644Z",
"structure_string": "Ga50 N50\n1.0\n11.740337 -0.784177 -0.314302\n-0.783745 11.023232 -0.239666\n-0.315323 -0.252956 12.048794\nGa N\n50 50\ndirect\n0.080376 0.091106 0.457547 Ga\n0.065313 0.590613 0.296333 Ga\n0.752981 0.877565 0.077910 Ga\n0.072716 0.850005 0.790045 Ga\n0.193248 0.194405 0.199138 Ga\n0.463102 0.957139 0.792694 Ga\n0.524837 0.685274 0.675116 Ga\n0.965537 0.256910 0.303042 Ga\n0.290793 0.059375 0.513289 Ga\n0.545808 0.984516 0.255326 Ga\n0.130872 0.793191 0.475417 Ga\n0.296249 0.966588 0.066568 Ga\n0.484170 0.217933 0.178791 Ga\n0.750089 0.390569 0.169597 Ga\n0.101752 0.438829 0.476972 Ga\n0.576481 0.051389 0.996340 Ga\n0.071220 0.046263 0.676863 Ga\n0.338409 0.603639 0.867505 Ga\n0.926231 0.855260 0.600683 Ga\n0.164849 0.530842 0.126644 Ga\n0.773273 0.054016 0.457571 Ga\n0.539805 0.184691 0.776571 Ga\n0.933297 0.584551 0.470844 Ga\n0.825344 0.186491 0.984378 Ga\n0.409708 0.172197 0.373930 Ga\n0.301314 0.833416 0.884814 Ga\n0.868821 0.675679 0.070868 Ga\n0.308526 0.445756 0.274815 Ga\n0.534048 0.802303 0.104980 Ga\n0.754244 0.103797 0.240248 Ga\n0.891285 0.446084 0.669746 Ga\n0.938545 0.194212 0.580604 Ga\n0.503268 0.940376 0.539007 Ga\n0.714871 0.595939 0.634389 Ga\n0.233009 0.881306 0.253088 Ga\n0.160444 0.580997 0.728151 Ga\n0.552154 0.447454 0.767685 Ga\n0.703406 0.898490 0.685795 Ga\n0.865894 0.728103 0.818066 Ga\n0.954439 0.830046 0.322685 Ga\n0.740775 0.330762 0.447176 Ga\n0.985928 0.372107 0.074071 Ga\n0.001230 0.988060 0.149958 Ga\n0.687084 0.208187 0.624645 Ga\n0.598315 0.744349 0.906299 Ga\n0.292774 0.814755 0.614003 Ga\n0.318814 0.726245 0.105559 Ga\n0.429551 0.722784 0.392073 Ga\n0.619190 0.292921 0.954541 Ga\n0.763257 0.469775 0.912293 Ga\n0.576052 0.408845 0.397152 N\n0.307351 0.155319 0.854778 N\n0.341868 0.973206 0.364539 N\n0.663700 0.007057 0.573461 N\n0.957275 0.762475 0.473068 N\n0.797166 0.769758 0.669755 N\n0.849545 0.273393 0.676723 N\n0.440974 0.761347 0.560325 N\n0.923983 0.073828 0.265073 N\n0.407851 0.371904 0.004273 N\n0.605481 0.313580 0.111761 N\n0.493823 0.600959 0.821122 N\n0.302239 0.517979 0.509094 N\n0.798908 0.495998 0.530759 N\n0.221437 0.297322 0.661721 N\n0.832461 0.015855 0.770024 N\n0.077049 0.296005 0.194365 N\n0.657164 0.763527 0.392167 N\n0.376410 0.982770 0.626511 N\n0.773442 0.749697 0.951449 N\n0.011323 0.657850 0.962282 N\n0.075033 0.590044 0.944310 N\n0.289322 0.147211 0.944962 N\n0.110053 0.779971 0.315575 N\n0.624618 0.549245 0.213394 N\n0.199362 0.763481 0.745612 N\n0.042679 0.516548 0.614894 N\n0.457100 0.047123 0.114135 N\n0.535693 0.576141 0.202039 N\n0.042852 0.348349 0.865518 N\n0.727567 0.718174 0.355698 N\n0.031826 0.262307 0.456231 N\n0.950493 0.003248 0.359905 N\n0.343187 0.529118 0.597485 N\n0.169003 0.018935 0.166457 N\n0.896844 0.828100 0.161729 N\n0.377991 0.464715 0.007208 N\n0.126284 0.311067 0.859210 N\n0.990939 0.067550 0.994560 N\n0.838663 0.500636 0.070957 N\n0.804133 0.298176 0.290256 N\n0.508413 0.459151 0.434701 N\n0.450816 0.926739 0.379105 N\n0.312428 0.282880 0.649031 N\n0.885821 0.100852 0.813545 N\n0.741035 0.054742 0.073044 N\n0.579919 0.841316 0.771390 N\n0.060060 0.060576 0.930470 N\n0.344254 0.274254 0.239286 N\n0.823927 0.548564 0.782063 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.485100446632446,
"density_atomic": 0.06451690671695587,
"volume": 1549.98131635035,
"volume_molar": 9.334205662431897,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -565.34001997,
"energy_per_atom": -5.653400199699999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -547.29001997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.212000Z",
"spacegroup": 1
},
{
"id": "mp-775830",
"created_at": "2022-09-04T14:44:22.708716Z",
"structure_string": "Na12 Bi4 B8 O24\n1.0\n7.332333 0.000000 0.000000\n0.000000 9.010021 0.000000\n0.000000 4.336090 9.978241\nNa Bi B O\n12 4 8 24\ndirect\n0.958344 0.280701 0.178875 Na\n0.245000 0.408747 0.972844 Na\n0.745000 0.591253 0.527156 Na\n0.705374 0.164423 0.029987 Na\n0.541656 0.280701 0.678875 Na\n0.205374 0.835577 0.470013 Na\n0.794626 0.164423 0.529987 Na\n0.458344 0.719299 0.321125 Na\n0.294626 0.835577 0.970013 Na\n0.255000 0.408747 0.472844 Na\n0.755000 0.591253 0.027156 Na\n0.041656 0.719299 0.821125 Na\n0.471007 0.185167 0.303034 Bi\n0.028993 0.185167 0.803034 Bi\n0.971007 0.814833 0.196966 Bi\n0.528993 0.814833 0.696966 Bi\n0.332102 0.542275 0.681475 B\n0.832102 0.457725 0.818525 B\n0.804606 0.942395 0.376242 B\n0.304606 0.057605 0.123758 B\n0.695394 0.942395 0.876242 B\n0.195394 0.057605 0.623758 B\n0.167898 0.542275 0.181475 B\n0.667898 0.457725 0.318525 B\n0.767205 0.611466 0.793634 O\n0.307066 0.614810 0.773561 O\n0.428599 0.632014 0.564995 O\n0.928599 0.367986 0.935005 O\n0.807066 0.385190 0.726439 O\n0.689779 0.972961 0.464690 O\n0.420929 0.191606 0.084015 O\n0.267205 0.388534 0.706366 O\n0.800816 0.043535 0.241789 O\n0.300816 0.956465 0.258211 O\n0.920929 0.808394 0.415985 O\n0.189779 0.027039 0.035310 O\n0.810221 0.972961 0.964690 O\n0.079071 0.191606 0.584015 O\n0.699184 0.043535 0.741789 O\n0.199184 0.956465 0.758211 O\n0.732795 0.611466 0.293634 O\n0.579071 0.808394 0.915985 O\n0.310221 0.027039 0.535310 O\n0.192934 0.614810 0.273561 O\n0.071401 0.632014 0.064995 O\n0.571401 0.367986 0.435005 O\n0.692934 0.385190 0.226439 O\n0.232795 0.388534 0.206366 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Na",
"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-Na-O",
"density": 3.985734685790216,
"density_atomic": 0.07281473357153401,
"volume": 659.2072461934406,
"volume_molar": 8.270497555393487,
"formula_full": "Na12 Bi4 B8 O24",
"formula_reduced": "Na3Bi(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy": -314.00386528,
"energy_per_atom": -6.541747193333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -297.51586528,
"band_gap": 3.1381,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.526000Z",
"spacegroup": 14
},
{
"id": "mp-32667",
"created_at": "2022-09-04T14:45:42.385290Z",
"structure_string": "Si6 O12\n1.0\n4.127393 0.000000 0.000000\n0.000000 5.075276 0.000000\n0.000000 1.414967 6.811266\nSi O\n6 12\ndirect\n0.997049 0.199617 0.334581 Si\n0.000000 0.000000 0.000000 Si\n0.502951 0.699617 0.334581 Si\n0.500000 0.500000 0.000000 Si\n0.497049 0.300383 0.665419 Si\n0.002951 0.800383 0.665419 Si\n0.786611 0.765794 0.889267 O\n0.771771 0.959745 0.222230 O\n0.767912 0.101412 0.554050 O\n0.732088 0.601412 0.554050 O\n0.728229 0.459745 0.222230 O\n0.713389 0.265794 0.889267 O\n0.286611 0.734206 0.110733 O\n0.271771 0.540255 0.777770 O\n0.267912 0.398588 0.445950 O\n0.232088 0.898588 0.445950 O\n0.228229 0.040255 0.777770 O\n0.213389 0.234206 0.110733 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 4.195638139760743,
"density_atomic": 0.12615636762546314,
"volume": 142.68007504336956,
"volume_molar": 4.77355275310297,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -146.39459022,
"energy_per_atom": -8.13303279,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.15059022,
"band_gap": 5.3845,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.483000Z",
"spacegroup": 14
},
{
"id": "mp-752466",
"created_at": "2022-09-04T14:45:59.966284Z",
"structure_string": "Li4 Mn4 C6 O18\n1.0\n0.000012 5.098113 3.486490\n-4.874935 -5.098419 3.486921\n4.874937 -5.098408 3.486939\nLi Mn C O\n4 4 6 18\ndirect\n0.843882 0.421946 0.421940 Li\n0.843889 0.921947 0.921956 Li\n0.578146 0.039074 0.539076 Li\n0.578198 0.539086 0.039080 Li\n0.186732 0.628452 0.128444 Mn\n0.756901 0.343319 0.843329 Mn\n0.186551 0.128424 0.628426 Mn\n0.757071 0.843373 0.343374 Mn\n0.204976 0.852418 0.352419 C\n0.204908 0.352431 0.852428 C\n0.422702 0.413045 0.413065 C\n0.422692 0.913063 0.913044 C\n0.826232 0.211450 0.211467 C\n0.826229 0.711466 0.711449 C\n0.015531 0.757711 0.257712 O\n0.015479 0.257720 0.757718 O\n0.220931 0.421146 0.421173 O\n0.220922 0.921175 0.921146 O\n0.842300 0.110523 0.110577 O\n0.842303 0.610579 0.610523 O\n0.182970 0.951664 0.451661 O\n0.182948 0.451683 0.951686 O\n0.403533 0.841449 0.341448 O\n0.403438 0.341433 0.841432 O\n0.524217 0.292291 0.523543 O\n0.524199 0.792287 0.023512 O\n0.815946 0.146569 0.377841 O\n0.815897 0.646565 0.877811 O\n0.524214 0.023540 0.792294 O\n0.524213 0.523513 0.292292 O\n0.815945 0.877843 0.646571 O\n0.815901 0.377811 0.146561 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O",
"density": 2.9105705174721717,
"density_atomic": 0.0923172768679075,
"volume": 346.6306750554104,
"volume_molar": 6.523308490367195,
"formula_full": "Li4 Mn4 C6 O18",
"formula_reduced": "Li2Mn2(CO3)3",
"formula_anonymous": "A2B2C3D9",
"energy": -253.1821939,
"energy_per_atom": -7.911943559375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -234.1441939,
"band_gap": 4.0204,
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"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.112000Z",
"spacegroup": 38
},
{
"id": "mp-1234366",
"created_at": "2022-09-04T14:45:05.969575Z",
"structure_string": "Mg1 H32 N8 O4\n1.0\n9.778432 -0.350396 -0.226563\n-0.364552 10.280884 0.791130\n0.022011 0.347928 4.722297\nMg H N O\n1 32 8 4\ndirect\n0.961953 0.098599 0.827043 Mg\n0.473767 0.762908 0.426461 H\n0.318346 0.969544 0.784805 H\n0.377995 0.634750 0.442795 H\n0.614861 0.618410 0.319424 H\n0.311192 0.857297 0.076321 H\n0.363456 0.565542 0.922601 H\n0.518290 0.812225 0.875392 H\n0.151313 0.683882 0.254380 H\n0.036200 0.564400 0.205068 H\n0.006373 0.367638 0.747219 H\n0.373682 0.158191 0.348615 H\n0.084496 0.100038 0.329476 H\n0.841775 0.033535 0.345366 H\n0.236927 0.478363 0.790826 H\n0.971552 0.327895 0.089353 H\n0.180248 0.042367 0.094051 H\n0.548661 0.942284 0.622199 H\n0.514517 0.157618 0.173551 H\n0.520193 0.209472 0.486738 H\n0.646479 0.431819 0.610141 H\n0.708186 0.019239 0.121459 H\n0.607146 0.377170 0.934142 H\n0.396579 0.441510 0.756441 H\n0.850806 0.377151 0.856182 H\n0.954067 0.724607 0.927513 H\n0.177449 0.876972 0.859119 H\n0.754389 0.560478 0.207858 H\n0.760718 0.628089 0.500667 H\n0.666124 0.832723 0.707851 H\n0.004617 0.671930 0.423034 H\n0.925997 0.847423 0.694106 H\n0.818511 0.905245 0.172023 H\n0.048447 0.661197 0.233143 N\n0.474902 0.139512 0.375058 N\n0.951997 0.393562 0.910750 N\n0.563382 0.844232 0.681795 N\n0.700081 0.568827 0.385663 N\n0.810289 0.004935 0.150048 N\n0.334806 0.517785 0.753512 N\n0.257022 0.926661 0.950295 N\n0.419300 0.707597 0.296944 O\n0.118635 0.115711 0.126822 O\n0.612536 0.349692 0.747197 O\n0.896270 0.753476 0.751615 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Mg",
"H",
"N",
"O"
],
"chemical_system": "H-Mg-N-O",
"density": 0.8191841980526813,
"density_atomic": 0.0954368460343027,
"volume": 471.5160011032398,
"volume_molar": 6.310079398302278,
"formula_full": "Mg1 H32 N8 O4",
"formula_reduced": "MgH32(N2O)4",
"formula_anonymous": "AB4C8D32",
"energy": -223.72836201,
"energy_per_atom": -4.971741378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.09236201,
"band_gap": 0.7445,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.824000Z",
"spacegroup": 1
},
{
"id": "mp-769557",
"created_at": "2022-09-04T14:44:25.778728Z",
"structure_string": "Li4 Mn4 Nb4 O16\n1.0\n6.227404 -0.000011 0.000003\n-0.000010 7.417204 5.244733\n0.000009 -3.568863 5.047114\nLi Mn Nb O\n4 4 4 16\ndirect\n0.249996 0.147368 0.000003 Li\n0.749993 0.647346 0.499997 Li\n0.749993 0.852621 0.000000 Li\n0.249996 0.352641 0.500003 Li\n0.250081 0.750040 0.749785 Mn\n0.750100 0.250088 0.749980 Mn\n0.750018 0.249998 0.250192 Mn\n0.249884 0.749929 0.250050 Mn\n0.499999 0.499999 0.000002 Nb\n0.999996 0.000000 0.499998 Nb\n0.999994 0.500004 0.999995 Nb\n0.499997 0.000005 0.499992 Nb\n0.513861 0.281598 0.000034 O\n0.013794 0.781599 0.499975 O\n0.986145 0.281602 0.000044 O\n0.486199 0.781599 0.499950 O\n0.013861 0.718397 0.999948 O\n0.513809 0.218396 0.500039 O\n0.486129 0.718396 0.999975 O\n0.986193 0.218400 0.500033 O\n0.749995 0.502638 0.218985 O\n0.249997 0.002643 0.718966 O\n0.749994 0.502644 0.781018 O\n0.249995 0.002642 0.281042 O\n0.249998 0.497356 0.781023 O\n0.749995 0.997351 0.281033 O\n0.249994 0.497349 0.218988 O\n0.749992 0.997352 0.718955 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.155670451966781,
"density_atomic": 0.08007121528644952,
"volume": 349.68871022916085,
"volume_molar": 7.5209808399387805,
"formula_full": "Li4 Mn4 Nb4 O16",
"formula_reduced": "LiMnNbO4",
"formula_anonymous": "ABCD4",
"energy": -236.08183007,
"energy_per_atom": -8.431493931071428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.41783007,
"band_gap": 0.5886999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.071000Z",
"spacegroup": 74
},
{
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