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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=12126",
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"results": [
{
"id": "mp-1349432",
"created_at": "2022-09-04T14:46:23.389726Z",
"structure_string": "Na1 Fe9 Si6 B3 H2 O31\n1.0\n7.619614 0.000000 0.000000\n-2.504826 9.482928 0.000000\n-2.512661 -4.744119 8.211014\nNa Fe Si B H O\n1 9 6 3 2 31\ndirect\n0.249309 0.012458 0.990428 Na\n0.905387 0.338645 0.447641 Fe\n0.579758 0.665425 0.771323 Fe\n0.586805 0.823015 0.998472 Fe\n0.767676 0.190148 0.809554 Fe\n0.349916 0.436833 0.228796 Fe\n0.907815 0.552940 0.659262 Fe\n0.580361 0.002740 0.182662 Fe\n0.581513 0.226699 0.333942 Fe\n0.348798 0.772003 0.560896 Fe\n0.810807 0.815121 0.375742 Si\n0.999563 0.188000 0.191922 Si\n0.187900 0.187510 0.625610 Si\n0.997616 0.807886 0.812829 Si\n0.811459 0.625209 0.185236 Si\n0.188039 0.373298 0.812590 Si\n0.566290 0.999124 0.671604 B\n0.240617 0.674087 0.322426 B\n0.567881 0.329350 0.997849 B\n0.260312 0.617086 0.000760 H\n0.254602 0.999903 0.393560 H\n0.991832 0.000894 0.275073 O\n0.356276 0.560028 0.720956 O\n0.794140 0.439987 0.282218 O\n0.649457 0.143200 0.525914 O\n0.501319 0.852742 0.673101 O\n0.884237 0.727471 0.272692 O\n0.164075 0.276515 0.001788 O\n0.978122 0.195763 0.622421 O\n0.776230 0.798518 0.823455 O\n0.784591 0.384790 0.615480 O\n0.387564 0.612790 0.999585 O\n0.551151 0.999842 0.814939 O\n0.079345 0.282983 0.281559 O\n0.796627 0.719776 0.560364 O\n0.978214 0.375968 0.803930 O\n0.601022 0.624934 0.173464 O\n0.777265 0.004601 0.983216 O\n0.651866 0.477762 0.855557 O\n0.176249 0.525092 0.329141 O\n0.552996 0.188414 0.993120 O\n0.364160 0.814050 0.175872 O\n0.178000 0.676332 0.467418 O\n0.502624 0.326833 0.145468 O\n0.598741 0.823137 0.380672 O\n0.781745 0.182920 0.201980 O\n0.381355 0.000559 0.398026 O\n0.991849 0.724132 0.998770 O\n0.259194 0.266509 0.732476 O\n0.358335 0.281006 0.438960 O\n0.074942 0.717599 0.716950 O\n0.162154 0.997373 0.722334 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Fe",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Fe-H-Na-O-Si",
"density": 3.427276671380882,
"density_atomic": 0.0876458034934056,
"volume": 593.2970881362555,
"volume_molar": 6.8709972639512635,
"formula_full": "Na1 Fe9 Si6 B3 H2 O31",
"formula_reduced": "NaFe9Si6B3H2O31",
"formula_anonymous": "AB2C3D6E9F31",
"energy": -134.64899808,
"energy_per_atom": -2.5894038092307694,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -93.04799808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1951619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.114000Z",
"spacegroup": 1
},
{
"id": "mp-1202358",
"created_at": "2022-09-04T14:46:24.051337Z",
"structure_string": "Sr2 Fe2 B2 P4 H4 O20\n1.0\n6.535212 -0.028531 -1.385605\n-2.076866 5.993032 -2.279619\n0.013239 -0.008462 9.392874\nSr Fe B P H O\n2 2 2 4 4 20\ndirect\n0.654741 0.888509 0.265631 Sr\n0.345259 0.111491 0.734369 Sr\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.971045 0.725501 0.753409 B\n0.028955 0.274499 0.246591 B\n0.642867 0.374940 0.167149 P\n0.357133 0.625060 0.832851 P\n0.791824 0.035306 0.676216 P\n0.208176 0.964694 0.323784 P\n0.794565 0.748343 0.916990 H\n0.205435 0.251657 0.083010 H\n0.843686 0.392739 0.588669 H\n0.156314 0.607261 0.411331 H\n0.581032 0.522011 0.307702 O\n0.418968 0.477989 0.692298 O\n0.781753 0.540357 0.114192 O\n0.218247 0.459643 0.885808 O\n0.440414 0.204859 0.036748 O\n0.559586 0.795141 0.963252 O\n0.799140 0.260803 0.235216 O\n0.200860 0.739197 0.764784 O\n0.868947 0.131211 0.564116 O\n0.131053 0.868789 0.435884 O\n0.572005 0.839072 0.590781 O\n0.427995 0.160928 0.409219 O\n0.762854 0.217374 0.816621 O\n0.237146 0.782626 0.183379 O\n0.966400 0.941898 0.747581 O\n0.033600 0.058102 0.252419 O\n0.923894 0.707140 0.895828 O\n0.076106 0.292860 0.104172 O\n0.819268 0.539207 0.604502 O\n0.180732 0.460793 0.395498 O\n",
"nsites": 34,
"nelements": 6,
"elements": [
"Sr",
"Fe",
"B",
"P",
"H",
"O"
],
"chemical_system": "B-Fe-H-O-P-Sr",
"density": 3.4200983970750456,
"density_atomic": 0.092571764879079,
"volume": 367.2826162967961,
"volume_molar": 6.505375335412871,
"formula_full": "Sr2 Fe2 B2 P4 H4 O20",
"formula_reduced": "SrFeBP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -253.52802922,
"energy_per_atom": -7.456706741764706,
"energy_above_hull": null,
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"energy_uncorrected": -235.27602922,
"band_gap": 2.4456,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9997214,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.712000Z",
"spacegroup": 2
},
{
"id": "mp-1195446",
"created_at": "2022-09-04T14:46:25.931215Z",
"structure_string": "Co2 H48 C12 Br4 N8 O12\n1.0\n5.133341 -7.489658 0.000000\n5.133341 7.489658 0.000000\n0.000000 0.000000 14.914326\nCo H C Br N O\n2 48 12 4 8 12\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.408889 0.631208 0.391678 H\n0.368792 0.591111 0.608322 H\n0.408889 0.631208 0.108322 H\n0.368792 0.591111 0.891678 H\n0.591111 0.368792 0.608322 H\n0.631208 0.408889 0.391678 H\n0.591111 0.368792 0.891678 H\n0.631208 0.408889 0.108322 H\n0.446108 0.837998 0.399060 H\n0.162002 0.553892 0.600940 H\n0.446108 0.837998 0.100940 H\n0.162002 0.553892 0.899060 H\n0.553892 0.162002 0.600940 H\n0.837998 0.446108 0.399060 H\n0.553892 0.162002 0.899060 H\n0.837998 0.446108 0.100940 H\n0.540839 0.748514 0.476048 H\n0.251486 0.459161 0.523952 H\n0.540839 0.748514 0.023952 H\n0.251486 0.459161 0.976048 H\n0.459161 0.251486 0.523952 H\n0.748514 0.540839 0.476048 H\n0.459161 0.251486 0.976048 H\n0.748514 0.540839 0.023952 H\n0.660687 0.040231 0.250000 H\n0.959769 0.339313 0.750000 H\n0.339313 0.959769 0.750000 H\n0.040231 0.660687 0.250000 H\n0.843542 0.136589 0.250000 H\n0.863411 0.156458 0.750000 H\n0.156458 0.863411 0.750000 H\n0.136589 0.843542 0.250000 H\n0.823702 0.928771 0.347907 H\n0.071229 0.176298 0.652093 H\n0.823702 0.928771 0.152093 H\n0.071229 0.176298 0.847907 H\n0.176298 0.071229 0.652093 H\n0.928771 0.823702 0.347907 H\n0.176298 0.071229 0.847907 H\n0.928771 0.823702 0.152093 H\n0.240112 0.135752 0.372886 H\n0.864248 0.759888 0.627114 H\n0.240112 0.135752 0.127114 H\n0.864248 0.759888 0.872886 H\n0.759888 0.864248 0.627114 H\n0.135752 0.240112 0.372886 H\n0.759888 0.864248 0.872886 H\n0.135752 0.240112 0.127114 H\n0.432659 0.731530 0.437743 C\n0.268470 0.567341 0.562257 C\n0.432659 0.731530 0.062257 C\n0.268470 0.567341 0.937743 C\n0.567341 0.268470 0.562257 C\n0.731530 0.432659 0.437743 C\n0.567341 0.268470 0.937743 C\n0.731530 0.432659 0.062257 C\n0.213661 0.786339 0.500000 C\n0.213661 0.786339 0.000000 C\n0.786339 0.213661 0.500000 C\n0.786339 0.213661 0.000000 C\n0.396872 0.077083 0.250000 Br\n0.922917 0.603128 0.750000 Br\n0.603128 0.922917 0.750000 Br\n0.077083 0.396872 0.250000 Br\n0.300296 0.699704 0.500000 N\n0.300296 0.699704 0.000000 N\n0.699704 0.300296 0.500000 N\n0.699704 0.300296 0.000000 N\n0.135288 0.864712 0.500000 N\n0.135288 0.864712 0.000000 N\n0.864712 0.135288 0.500000 N\n0.864712 0.135288 0.000000 N\n0.869667 0.869667 0.387861 O\n0.130333 0.130333 0.612139 O\n0.869667 0.869667 0.112139 O\n0.130333 0.130333 0.887861 O\n0.171828 0.171828 0.411855 O\n0.828172 0.828172 0.588145 O\n0.171828 0.171828 0.088145 O\n0.828172 0.828172 0.911855 O\n0.764582 0.027965 0.250000 O\n0.972035 0.235418 0.750000 O\n0.235418 0.972035 0.750000 O\n0.027965 0.764582 0.250000 O\n",
"nsites": 86,
"nelements": 6,
"elements": [
"Co",
"H",
"C",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-Co-H-N-O",
"density": 1.3524401577789782,
"density_atomic": 0.07498989096170093,
"volume": 1146.821243464965,
"volume_molar": 8.030603435702615,
"formula_full": "Co2 H48 C12 Br4 N8 O12",
"formula_reduced": "CoH24C6Br2(N2O3)2",
"formula_anonymous": "AB2C4D6E6F24",
"energy": -475.34367562,
"energy_per_atom": -5.527252042093023,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -458.79967562,
"band_gap": 2.5201,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9993659,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.167000Z",
"spacegroup": 63
},
{
"id": "mp-1176607",
"created_at": "2022-09-04T14:46:25.326736Z",
"structure_string": "Li2 Mn2 V2 P4 H4 O20\n1.0\n5.222490 0.000000 0.000000\n-2.566875 6.927755 0.000000\n-0.840082 -3.396722 9.910051\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.568762 0.644402 0.795008 Li\n0.431238 0.355598 0.204992 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.494662 0.046275 0.821091 P\n0.995964 0.445754 0.678916 P\n0.004036 0.554246 0.321084 P\n0.505338 0.953725 0.178909 P\n0.328361 0.317131 0.968786 H\n0.167645 0.183166 0.517839 H\n0.832355 0.816834 0.482161 H\n0.671639 0.682869 0.031214 H\n0.821240 0.692579 0.977408 O\n0.633059 0.281010 0.903421 O\n0.119709 0.478152 0.829285 O\n0.238217 0.949248 0.878820 O\n0.696693 0.940589 0.830421 O\n0.779732 0.539502 0.675937 O\n0.256965 0.555662 0.627538 O\n0.392361 0.022207 0.671644 O\n0.876575 0.214189 0.594789 O\n0.346733 0.207783 0.485395 O\n0.653267 0.792217 0.514605 O\n0.123425 0.785811 0.405211 O\n0.607639 0.977793 0.328356 O\n0.743035 0.444338 0.372462 O\n0.220268 0.460498 0.324063 O\n0.303307 0.059411 0.169579 O\n0.761783 0.050752 0.121180 O\n0.880291 0.521848 0.170715 O\n0.366941 0.718990 0.096579 O\n0.178760 0.307421 0.022592 O\n",
"nsites": 34,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.119440553813526,
"density_atomic": 0.09482719188902682,
"volume": 358.54694547729616,
"volume_molar": 6.350647572742126,
"formula_full": "Li2 Mn2 V2 P4 H4 O20",
"formula_reduced": "LiMnVP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -253.66693439,
"energy_per_atom": -7.460792187941176,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:38.336000Z",
"spacegroup": 2
},
{
"id": "mp-556725",
"created_at": "2022-09-04T14:46:21.853738Z",
"structure_string": "Cu2 H16 C4 Br6 N2 O2\n1.0\n6.495136 0.000000 0.000000\n1.903919 8.208713 0.000000\n1.577471 3.014771 8.303984\nCu H C Br N O\n2 16 4 6 2 2\ndirect\n0.260885 0.067549 0.392045 Cu\n0.739115 0.932451 0.607955 Cu\n0.852754 0.198056 0.059539 H\n0.354774 0.629292 0.724350 H\n0.691313 0.534818 0.602969 H\n0.873848 0.467521 0.848135 H\n0.126152 0.532479 0.151865 H\n0.456276 0.635946 0.290011 H\n0.543724 0.364054 0.709989 H\n0.308687 0.465182 0.397031 H\n0.922941 0.293212 0.771262 H\n0.077059 0.706788 0.228738 H\n0.666811 0.155039 0.979566 H\n0.609103 0.321681 0.051994 H\n0.333189 0.844961 0.020434 H\n0.147246 0.801944 0.940461 H\n0.645226 0.370708 0.275650 H\n0.390897 0.678319 0.948006 H\n0.622304 0.460848 0.723090 C\n0.198935 0.627803 0.171496 C\n0.377696 0.539152 0.276910 C\n0.801065 0.372197 0.828504 C\n0.625967 0.909714 0.366561 Br\n0.919314 0.244944 0.437206 Br\n0.080686 0.755056 0.562794 Br\n0.374033 0.090286 0.633439 Br\n0.781545 0.885706 0.886966 Br\n0.218455 0.114294 0.113034 Br\n0.274759 0.745234 0.009976 N\n0.725241 0.254766 0.990024 N\n0.527729 0.426060 0.206561 O\n0.472271 0.573940 0.793439 O\n",
"nsites": 32,
"nelements": 6,
"elements": [
"Cu",
"H",
"C",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-Cu-H-N-O",
"density": 2.7405467523526146,
"density_atomic": 0.07227700595001119,
"volume": 442.7410845176971,
"volume_molar": 8.332028535001964,
"formula_full": "Cu2 H16 C4 Br6 N2 O2",
"formula_reduced": "CuH8C2Br3NO",
"formula_anonymous": "ABCD2E3F8",
"energy": -154.31030205000002,
"energy_per_atom": -4.822196939062501,
"energy_above_hull": null,
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"energy_uncorrected": -149.01030205,
"band_gap": 0.1273,
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"total_magnetization": 2.0001051,
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"updated_at": "2021-11-28T01:37:27.859000Z",
"spacegroup": 2
},
{
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"elements": [
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"formula_full": "Fe16 Te8 Mo4 C56 S8 O56",
"formula_reduced": "Fe4Te2MoC14(SO7)2",
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"updated_at": "2021-11-28T01:37:36.512000Z",
"spacegroup": 33
},
{
"id": "mp-1667139",
"created_at": "2022-09-04T14:46:26.234771Z",
"structure_string": "Na4 Li8 Fe4 P4 C4 O28\n1.0\n0.157123 0.006447 5.061423\n8.819373 6.936900 0.307862\n-8.478069 6.476401 -0.289618\nNa Li Fe P C O\n4 8 4 4 4 28\ndirect\n0.258400 0.377708 0.121637 Na\n0.258362 0.878630 0.622723 Na\n0.740035 0.620520 0.877239 Na\n0.739500 0.122331 0.377961 Na\n0.762507 0.152553 0.056793 Li\n0.767377 0.647816 0.557173 Li\n0.238916 0.852184 0.944516 Li\n0.236031 0.348181 0.444015 Li\n0.239655 0.163658 0.876651 Li\n0.244118 0.661082 0.375582 Li\n0.755827 0.838369 0.123394 Li\n0.746847 0.343374 0.627407 Li\n0.783287 0.055837 0.710412 Fe\n0.213441 0.447248 0.788712 Fe\n0.784519 0.554656 0.209970 Fe\n0.213163 0.944787 0.290220 Fe\n0.716317 0.329408 0.917447 P\n0.719823 0.829729 0.417104 P\n0.280424 0.668643 0.081538 P\n0.279405 0.172020 0.584189 P\n0.710737 0.404189 0.363305 C\n0.711371 0.903325 0.862280 C\n0.299903 0.595306 0.635716 C\n0.287541 0.095024 0.137356 C\n0.367562 0.163273 0.066456 O\n0.370142 0.665417 0.564344 O\n0.632009 0.835129 0.933681 O\n0.631104 0.335793 0.434290 O\n0.959033 0.414217 0.345327 O\n0.959313 0.913169 0.843816 O\n0.053244 0.583037 0.656300 O\n0.039257 0.085127 0.155482 O\n0.535388 0.466448 0.307930 O\n0.535422 0.965402 0.807117 O\n0.481736 0.534338 0.688533 O\n0.462580 0.032381 0.192684 O\n0.835192 0.193892 0.890269 O\n0.838718 0.694616 0.390386 O\n0.159972 0.803236 0.106934 O\n0.163344 0.308316 0.613532 O\n0.789397 0.386627 0.061891 O\n0.792367 0.889215 0.560524 O\n0.211427 0.607589 0.937383 O\n0.204561 0.115708 0.440025 O\n0.408733 0.327510 0.895591 O\n0.412549 0.827553 0.393930 O\n0.587154 0.672056 0.104369 O\n0.586649 0.173837 0.605714 O\n0.168562 0.598139 0.173941 O\n0.168070 0.100069 0.675365 O\n0.827275 0.400775 0.826271 O\n0.831732 0.900553 0.324574 O\n",
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},
{
"id": "mp-1226397",
"created_at": "2022-09-04T14:46:19.670909Z",
"structure_string": "Cu1 H16 Pt1 C4 N4 O11\n1.0\n3.487891 8.519175 0.000000\n-3.487891 8.519175 0.000000\n0.000000 3.262533 6.711081\nCu H Pt C N O\n1 16 1 4 4 11\ndirect\n0.532232 0.467768 0.500000 Cu\n0.823420 0.377029 0.015230 H\n0.379008 0.822910 0.783976 H\n0.622971 0.176580 0.984770 H\n0.177090 0.620992 0.216024 H\n0.778298 0.389587 0.811998 H\n0.391448 0.777778 0.019284 H\n0.610413 0.221702 0.188002 H\n0.222222 0.608552 0.980716 H\n0.783199 0.821218 0.799060 H\n0.818696 0.784015 0.595381 H\n0.178782 0.216801 0.200940 H\n0.215985 0.181304 0.404619 H\n0.007527 0.304779 0.811334 H\n0.304323 0.007987 0.876980 H\n0.695221 0.992473 0.188666 H\n0.992013 0.695677 0.123020 H\n0.000610 0.999390 0.000000 Pt\n0.330105 0.328711 0.567340 C\n0.325688 0.332999 0.774146 C\n0.671289 0.669895 0.432660 C\n0.667001 0.674312 0.225854 C\n0.889296 0.302420 0.899015 N\n0.303465 0.888880 0.909014 N\n0.697580 0.110704 0.100985 N\n0.111120 0.696535 0.090986 N\n0.403000 0.407774 0.414983 O\n0.405730 0.404402 0.775326 O\n0.592226 0.597000 0.585017 O\n0.595598 0.594270 0.224674 O\n0.854062 0.826398 0.660532 O\n0.173602 0.145938 0.339468 O\n0.261554 0.255208 0.558730 O\n0.246108 0.270165 0.923921 O\n0.744792 0.738446 0.441270 O\n0.729835 0.753892 0.076079 O\n0.799994 0.200006 0.500000 O\n",
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"O"
],
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"density": 2.3100337050456496,
"density_atomic": 0.09277240257339253,
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"formula_full": "Cu1 H16 Pt1 C4 N4 O11",
"formula_reduced": "CuH16PtC4N4O11",
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"energy": -222.65619161,
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"updated_at": "2021-11-28T01:37:24.108000Z",
"spacegroup": 5
}
]
}