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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=12156",
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"results": [
{
"id": "mp-1173817",
"created_at": "2022-09-04T14:39:14.352461Z",
"structure_string": "Na1 Al1 H22 C10 N2 O12\n1.0\n7.336928 -0.216970 5.760749\n2.729349 7.010462 5.507747\n0.144279 -0.309367 9.804012\nNa Al H C N O\n1 1 22 10 2 12\ndirect\n0.028253 0.972090 0.026102 Na\n0.485168 0.521380 0.494624 Al\n0.186736 0.272848 0.153296 H\n0.333935 0.228988 0.391099 H\n0.189443 0.332965 0.844801 H\n0.363762 0.784329 0.190608 H\n0.773526 0.190746 0.354913 H\n0.159800 0.825257 0.669618 H\n0.624831 0.314491 0.809221 H\n0.839647 0.646334 0.209761 H\n0.944359 0.407286 0.700157 H\n0.619804 0.836793 0.889847 H\n0.826537 0.804548 0.467000 H\n0.821561 0.451744 0.897092 H\n0.267026 0.054601 0.326688 H\n0.026330 0.233040 0.534923 H\n0.944042 0.595747 0.684150 H\n0.209606 0.446627 0.263310 H\n0.541996 0.623740 0.837404 H\n0.706065 0.941613 0.918598 H\n0.452014 0.313736 0.147886 H\n0.570745 0.881725 0.553881 H\n0.817067 0.922141 0.697768 H\n0.854066 0.719775 0.890138 H\n0.234342 0.204554 0.259750 C\n0.308701 0.302273 0.268096 C\n0.231669 0.750422 0.315330 C\n0.298231 0.244477 0.753688 C\n0.747195 0.314861 0.238014 C\n0.235802 0.714871 0.758880 C\n0.709936 0.768323 0.249993 C\n0.746869 0.322338 0.669593 C\n0.683747 0.629543 0.718159 C\n0.749495 0.855005 0.848462 C\n0.693356 0.787535 0.571814 N\n0.857197 0.518609 0.750082 N\n0.079818 0.814400 0.300340 O\n0.267047 0.111049 0.789264 O\n0.247145 0.644970 0.468527 O\n0.450529 0.290994 0.615619 O\n0.824679 0.292575 0.087060 O\n0.640075 0.471815 0.265541 O\n0.350720 0.560440 0.721699 O\n0.205451 0.743270 0.885497 O\n0.542369 0.742110 0.364187 O\n0.729721 0.384373 0.527266 O\n0.732210 0.917611 0.185838 O\n0.925780 0.234435 0.664318 O\n",
"nsites": 48,
"nelements": 6,
"elements": [
"Na",
"Al",
"H",
"C",
"N",
"O"
],
"chemical_system": "Al-C-H-N-Na-O",
"density": 1.3377983179927575,
"density_atomic": 0.0938020742571041,
"volume": 511.71576300579216,
"volume_molar": 6.420050737357669,
"formula_full": "Na1 Al1 H22 C10 N2 O12",
"formula_reduced": "NaAlH22C10(NO6)2",
"formula_anonymous": "ABC2D10E12F22",
"energy": -288.87443045000003,
"energy_per_atom": -6.018217301041667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -279.90843045,
"band_gap": 0.0547999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.349000Z",
"spacegroup": 1
},
{
"id": "mp-695670",
"created_at": "2022-09-04T14:47:19.591367Z",
"structure_string": "Na2 Ca6 Mg2 Fe2 Si8 O28\n1.0\n5.919454 0.000000 0.000000\n0.000000 10.128818 0.000000\n0.000000 0.000000 11.421943\nNa Ca Mg Fe Si O\n2 6 2 2 8 28\ndirect\n0.146342 0.487410 0.250000 Na\n0.146342 0.512590 0.750000 Na\n0.064539 0.195902 0.750000 Ca\n0.064539 0.804098 0.250000 Ca\n0.792312 0.189606 0.400602 Ca\n0.792312 0.189606 0.099398 Ca\n0.792312 0.810394 0.599398 Ca\n0.792312 0.810394 0.900602 Ca\n0.279964 0.000000 0.000000 Mg\n0.279964 0.000000 0.500000 Mg\n0.459524 0.500000 0.500000 Fe\n0.459524 0.500000 0.000000 Fe\n0.333372 0.216417 0.363024 Si\n0.333372 0.783583 0.636976 Si\n0.333372 0.783583 0.863024 Si\n0.333372 0.216417 0.136976 Si\n0.597484 0.684540 0.250000 Si\n0.602853 0.953611 0.250000 Si\n0.597484 0.315460 0.750000 Si\n0.602853 0.046389 0.750000 Si\n0.861211 0.368078 0.750000 O\n0.861211 0.631922 0.250000 O\n0.449155 0.050426 0.138542 O\n0.427629 0.598043 0.345901 O\n0.427629 0.598043 0.154099 O\n0.449155 0.949574 0.638542 O\n0.449155 0.050426 0.361458 O\n0.427629 0.401957 0.654099 O\n0.449155 0.949574 0.861458 O\n0.427629 0.401957 0.845901 O\n0.140833 0.253708 0.250000 O\n0.537832 0.753494 0.750000 O\n0.537832 0.246506 0.250000 O\n0.140833 0.746292 0.750000 O\n0.611384 0.174042 0.649349 O\n0.611384 0.825958 0.149349 O\n0.611384 0.174042 0.850651 O\n0.611384 0.825958 0.350651 O\n0.475491 0.677236 0.557480 O\n0.136610 0.831993 0.534029 O\n0.136610 0.831993 0.965971 O\n0.136610 0.168007 0.034029 O\n0.475491 0.677236 0.942520 O\n0.136610 0.168007 0.465971 O\n0.475491 0.322764 0.057480 O\n0.475491 0.322764 0.442520 O\n0.857514 0.020378 0.250000 O\n0.857514 0.979622 0.750000 O\n",
"nsites": 48,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Mg",
"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-Mg-Na-O-Si",
"density": 2.714311658102705,
"density_atomic": 0.07009077003197382,
"volume": 684.8262614050822,
"volume_molar": 8.591916963179084,
"formula_full": "Na2 Ca6 Mg2 Fe2 Si8 O28",
"formula_reduced": "NaCa3MgFe(Si2O7)2",
"formula_anonymous": "ABCD3E4F14",
"energy": -344.03687684,
"energy_per_atom": -7.167434934166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -320.28887684,
"band_gap": 0.7612000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9979743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.928000Z",
"spacegroup": 28
},
{
"id": "mp-772931",
"created_at": "2022-09-04T14:47:16.102331Z",
"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n6.630836 0.000000 0.000000\n-0.092755 8.751635 0.000000\n-0.084489 -0.285139 10.196777\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.252108 0.915746 0.878694 Na\n0.241715 0.915861 0.378735 Na\n0.995032 0.744878 0.624916 Na\n0.502197 0.743378 0.127555 Na\n0.501525 0.254971 0.874732 Na\n0.500796 0.256128 0.376046 Na\n0.471417 0.718834 0.610675 Li\n0.027194 0.720387 0.109398 Li\n0.979373 0.274708 0.884038 Li\n0.978191 0.276128 0.387628 Li\n0.756822 0.097246 0.625938 Li\n0.779911 0.092429 0.127002 Li\n0.751403 0.646296 0.889684 Fe\n0.747101 0.646188 0.389296 Fe\n0.242472 0.348892 0.609966 Fe\n0.246280 0.348697 0.108081 Fe\n0.249173 0.583456 0.852708 P\n0.237581 0.583863 0.353277 P\n0.746005 0.409264 0.647709 P\n0.758986 0.410937 0.147063 P\n0.758960 0.956976 0.864873 C\n0.761233 0.957630 0.365261 C\n0.257814 0.050707 0.635202 C\n0.238616 0.050417 0.135495 C\n0.282017 0.904567 0.641844 O\n0.221107 0.903107 0.141393 O\n0.747639 0.925563 0.988536 O\n0.758820 0.924824 0.488778 O\n0.750543 0.845882 0.776402 O\n0.745632 0.847510 0.276212 O\n0.067559 0.685374 0.894520 O\n0.439613 0.670791 0.905114 O\n0.058046 0.682839 0.401106 O\n0.430892 0.674378 0.400167 O\n0.259974 0.568609 0.699220 O\n0.724146 0.569697 0.588180 O\n0.232696 0.570082 0.199897 O\n0.772506 0.572037 0.087445 O\n0.229772 0.421778 0.908533 O\n0.776055 0.428340 0.799210 O\n0.231515 0.422198 0.410238 O\n0.778128 0.428256 0.299591 O\n0.558054 0.305632 0.617523 O\n0.925029 0.316546 0.588312 O\n0.559370 0.324813 0.110905 O\n0.928983 0.304355 0.093214 O\n0.238656 0.136290 0.740646 O\n0.242973 0.136478 0.241238 O\n0.250240 0.116517 0.522025 O\n0.252193 0.115851 0.022409 O\n0.777725 0.096339 0.826183 O\n0.778215 0.097330 0.327186 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.8704883232703122,
"density_atomic": 0.08787856143916997,
"volume": 591.7256626463405,
"volume_molar": 6.852798522616418,
"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -370.09775105,
"energy_per_atom": -7.117264443269231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -341.83775105,
"band_gap": 3.7783000000000007,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0007339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.694000Z",
"spacegroup": 1
},
{
"id": "mp-567146",
"created_at": "2022-09-04T14:47:20.456145Z",
"structure_string": "Si6 P2 H54 C18 Br2 N4\n1.0\n9.205100 0.000000 0.000000\n4.444472 8.676585 0.000000\n1.912699 2.401826 12.294976\nSi P H C Br N\n6 2 54 18 2 4\ndirect\n0.211006 0.016888 0.766398 Si\n0.116599 0.552049 0.205410 Si\n0.230239 0.727022 0.333624 Si\n0.788994 0.983112 0.233602 Si\n0.883401 0.447951 0.794590 Si\n0.769761 0.272978 0.666376 Si\n0.098735 0.918863 0.062453 P\n0.901265 0.081137 0.937547 P\n0.255673 0.404706 0.056746 H\n0.626300 0.508534 0.912339 H\n0.850779 0.618576 0.607107 H\n0.961233 0.033545 0.589195 H\n0.368500 0.752943 0.725582 H\n0.842004 0.186814 0.291026 H\n0.785893 0.754956 0.373797 H\n0.149221 0.381424 0.392893 H\n0.147885 0.134552 0.569277 H\n0.152042 0.017438 0.294204 H\n0.655616 0.652611 0.673507 H\n0.642242 0.938660 0.406653 H\n0.344384 0.347389 0.326493 H\n0.373700 0.491466 0.087661 H\n0.443660 0.741806 0.190485 H\n0.495123 0.925691 0.806803 H\n0.556340 0.258194 0.809515 H\n0.319764 0.600863 0.519622 H\n0.374826 0.103823 0.854583 H\n0.717079 0.530870 0.534962 H\n0.282921 0.469130 0.465038 H\n0.752453 0.082260 0.580416 H\n0.221696 0.273865 0.285985 H\n0.377746 0.924631 0.931008 H\n0.157996 0.813186 0.708974 H\n0.847958 0.982562 0.705796 H\n0.835642 0.575881 0.265795 H\n0.928060 0.458338 0.165156 H\n0.504877 0.074309 0.193197 H\n0.235189 0.745495 0.841047 H\n0.200382 0.607157 0.007235 H\n0.503458 0.456309 0.745610 H\n0.842186 0.665525 0.126077 H\n0.214107 0.245044 0.626203 H\n0.625174 0.896177 0.145417 H\n0.799618 0.392843 0.992765 H\n0.071940 0.541662 0.834844 H\n0.157814 0.334475 0.873923 H\n0.778304 0.726135 0.714015 H\n0.680236 0.399137 0.480378 H\n0.116266 0.630543 0.512248 H\n0.038767 0.966455 0.410805 H\n0.764811 0.254505 0.158953 H\n0.474823 0.330920 0.678308 H\n0.631500 0.247057 0.274418 H\n0.852115 0.865448 0.430723 H\n0.883734 0.369457 0.487752 H\n0.164358 0.424119 0.734205 H\n0.496542 0.543691 0.254390 H\n0.744327 0.595294 0.943254 H\n0.525177 0.669080 0.321692 H\n0.622254 0.075369 0.068992 H\n0.247547 0.917740 0.419584 H\n0.357758 0.061340 0.593347 H\n0.622096 0.007769 0.151656 C\n0.158147 0.926989 0.366202 C\n0.762822 0.407050 0.530680 C\n0.248691 0.511333 0.077199 C\n0.910654 0.566360 0.189291 C\n0.756340 0.185923 0.239991 C\n0.556735 0.335704 0.730811 C\n0.767653 0.874188 0.374199 C\n0.232347 0.125812 0.625801 C\n0.089346 0.433640 0.810709 C\n0.377904 0.992231 0.848344 C\n0.237178 0.592950 0.469320 C\n0.782047 0.625895 0.685890 C\n0.443265 0.664296 0.269189 C\n0.217953 0.374105 0.314110 C\n0.243660 0.814077 0.760009 C\n0.751309 0.488667 0.922801 C\n0.841853 0.073011 0.633798 C\n0.133563 0.137872 0.082127 Br\n0.866437 0.862128 0.917873 Br\n0.007100 0.126812 0.823931 N\n0.902535 0.275993 0.754640 N\n0.992900 0.873188 0.176069 N\n0.097465 0.724007 0.245360 N\n",
"nsites": 86,
"nelements": 6,
"elements": [
"Si",
"P",
"H",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-H-N-P-Si",
"density": 1.2123074190449494,
"density_atomic": 0.08757767862168205,
"volume": 981.9853797621504,
"volume_molar": 6.876342071150844,
"formula_full": "Si6 P2 H54 C18 Br2 N4",
"formula_reduced": "Si3PH27C9BrN2",
"formula_anonymous": "ABC2D3E9F27",
"energy": -449.85738038,
"energy_per_atom": -5.230899771860465,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -447.3453803800001,
"band_gap": 3.0314,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0028941,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.941000Z",
"spacegroup": 2
},
{
"id": "mp-1234266",
"created_at": "2022-09-04T14:47:13.391088Z",
"structure_string": "K4 Mg1 Zn4 H16 Br12 O8\n1.0\n5.413282 0.084396 -4.507041\n0.260616 12.729374 0.079540\n0.237021 0.081995 13.809105\nK Mg Zn H Br O\n4 1 4 16 12 8\ndirect\n0.281628 0.829821 0.001603 K\n0.710760 0.325723 0.500006 K\n0.733279 0.168874 0.009378 K\n0.074472 0.670705 0.418924 K\n0.712053 0.689239 0.657977 Mg\n0.482761 0.945519 0.749519 Zn\n0.506025 0.420605 0.766826 Zn\n0.524240 0.071073 0.265255 Zn\n0.425871 0.555455 0.208111 Zn\n0.805180 0.265739 0.799256 H\n0.239757 0.780708 0.718132 H\n0.164955 0.725081 0.188186 H\n0.816627 0.222248 0.298378 H\n0.946989 0.335442 0.921566 H\n0.061546 0.858471 0.597272 H\n0.004458 0.657680 0.064032 H\n0.967334 0.148378 0.422856 H\n0.963025 0.172038 0.726900 H\n0.178520 0.650274 0.795152 H\n0.103457 0.870036 0.265544 H\n0.916665 0.346539 0.211641 H\n0.710341 0.133896 0.675908 H\n0.455762 0.667446 0.865785 H\n0.370116 0.826954 0.341978 H\n0.642839 0.349495 0.154322 H\n0.298210 0.416999 0.547016 Br\n0.710208 0.908116 0.970790 Br\n0.639343 0.586447 0.426034 Br\n0.310219 0.095574 0.045779 Br\n0.252133 0.388195 0.821771 Br\n0.763700 0.936154 0.705033 Br\n0.658434 0.590124 0.138239 Br\n0.277395 0.107541 0.325971 Br\n0.252982 0.111242 0.674686 Br\n0.751957 0.575790 0.869338 Br\n0.712871 0.894166 0.339453 Br\n0.254900 0.383600 0.160317 Br\n0.229535 0.829435 0.655738 O\n0.788964 0.305132 0.857203 O\n0.804423 0.178760 0.355658 O\n0.169260 0.682724 0.128486 O\n0.299540 0.705667 0.830884 O\n0.800334 0.198596 0.694820 O\n0.783733 0.301417 0.187734 O\n0.202461 0.804380 0.298708 O\n",
"nsites": 45,
"nelements": 6,
"elements": [
"K",
"Mg",
"Zn",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-K-Mg-O-Zn",
"density": 2.6598841315087256,
"density_atomic": 0.046645750224125086,
"volume": 964.7181100911116,
"volume_molar": 12.910373894866336,
"formula_full": "K4 Mg1 Zn4 H16 Br12 O8",
"formula_reduced": "K4MgZn4H16(Br3O2)4",
"formula_anonymous": "AB4C4D8E12F16",
"energy": -184.29510521,
"energy_per_atom": -4.095446782444444,
"energy_above_hull": null,
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"energy_uncorrected": -172.39110521,
"band_gap": 1.2519,
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"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:38:01.247000Z",
"spacegroup": 1
},
{
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"id": "mp-772558",
"created_at": "2022-09-04T14:47:20.258481Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.719402 0.000000 0.000000\n-0.028004 8.665707 0.000000\n-0.006314 -0.255821 10.127062\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.239552 0.915062 0.376959 Na\n0.998243 0.751630 0.628610 Na\n0.501855 0.748861 0.125105 Na\n0.500383 0.249498 0.374431 Na\n0.254081 0.921493 0.871767 Li\n0.471154 0.726783 0.617293 Li\n0.027616 0.724653 0.111062 Li\n0.524105 0.264760 0.883245 Li\n0.974449 0.264882 0.883067 Li\n0.971770 0.274063 0.389012 Li\n0.743411 0.088084 0.630846 Li\n0.773810 0.090312 0.125256 Li\n0.753389 0.646163 0.886589 Mn\n0.745254 0.639051 0.389891 Mn\n0.243631 0.353455 0.615664 Mn\n0.250539 0.351043 0.106237 Mn\n0.256505 0.592865 0.851631 P\n0.237286 0.583346 0.353717 P\n0.742704 0.405830 0.649304 P\n0.760384 0.406720 0.140972 P\n0.749299 0.962260 0.866751 C\n0.761212 0.956633 0.364218 C\n0.259493 0.050838 0.643824 C\n0.240408 0.041753 0.128248 C\n0.282493 0.903732 0.662649 O\n0.216977 0.895898 0.149137 O\n0.747747 0.920358 0.988431 O\n0.756503 0.920660 0.488487 O\n0.753647 0.859013 0.771057 O\n0.743397 0.848723 0.273239 O\n0.072248 0.690074 0.896197 O\n0.439367 0.686538 0.901826 O\n0.058692 0.681114 0.404519 O\n0.427444 0.672799 0.401003 O\n0.263293 0.580733 0.697200 O\n0.729067 0.573392 0.597388 O\n0.233063 0.574012 0.199224 O\n0.771631 0.574393 0.090116 O\n0.250299 0.424857 0.902732 O\n0.755057 0.418227 0.803818 O\n0.230953 0.416487 0.405519 O\n0.768804 0.417710 0.295293 O\n0.561422 0.304869 0.607757 O\n0.925918 0.315937 0.594324 O\n0.568995 0.318876 0.095648 O\n0.933556 0.303782 0.087046 O\n0.240230 0.144074 0.745573 O\n0.253884 0.139226 0.228243 O\n0.254026 0.106051 0.526196 O\n0.251280 0.092330 0.009003 O\n0.746828 0.107685 0.836037 O\n0.782643 0.098410 0.328643 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7798328773548526,
"density_atomic": 0.0881830771937046,
"volume": 589.6823024873108,
"volume_molar": 6.829134287037469,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.67647629,
"energy_per_atom": -7.282239928653846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -352.76847629,
"band_gap": 3.5568,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0041697,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.347000Z",
"spacegroup": 1
}
]
}