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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=12095",
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"results": [
{
"id": "mp-1234759",
"created_at": "2022-09-04T14:45:55.529951Z",
"structure_string": "Mg1 Cu2 B2 H8 Cl2 O8\n1.0\n0.000051 -0.000086 5.253321\n6.642118 0.006717 0.000058\n0.006699 6.631093 -0.000086\nMg Cu B H Cl O\n1 2 2 8 2 8\ndirect\n0.000509 0.000014 0.000030 Mg\n0.596649 0.000007 0.500006 Cu\n0.399791 0.499999 0.999993 Cu\n0.499767 0.500002 0.499997 B\n0.500402 0.999997 0.000000 B\n0.775114 0.641492 0.334355 H\n0.775110 0.358512 0.665661 H\n0.355951 0.185203 0.771864 H\n0.355992 0.814772 0.228124 H\n0.224542 0.334639 0.358524 H\n0.224541 0.665368 0.641463 H\n0.645955 0.771918 0.816083 H\n0.645913 0.228082 0.183936 H\n0.140531 0.000009 0.499979 Cl\n0.859003 0.499987 0.999994 Cl\n0.679378 0.085875 0.150017 O\n0.679398 0.914128 0.850000 O\n0.343471 0.557448 0.677733 O\n0.343475 0.442552 0.322253 O\n0.321541 0.149793 0.913853 O\n0.321555 0.850196 0.086140 O\n0.655699 0.677629 0.442030 O\n0.655714 0.322379 0.557967 O\n",
"nsites": 23,
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"elements": [
"Mg",
"Cu",
"B",
"H",
"Cl",
"O"
],
"chemical_system": "B-Cl-Cu-H-Mg-O",
"density": 2.7270235407498093,
"density_atomic": 0.09940371954614188,
"volume": 231.3796717568874,
"volume_molar": 6.0582650100981414,
"formula_full": "Mg1 Cu2 B2 H8 Cl2 O8",
"formula_reduced": "MgCu2B2H8(ClO4)2",
"formula_anonymous": "AB2C2D2E8F8",
"energy": -129.14988398,
"energy_per_atom": -5.615212346956522,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -122.42588398,
"band_gap": 0.8907000000000003,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.112000Z",
"spacegroup": 81
},
{
"id": "mp-1233823",
"created_at": "2022-09-04T14:41:21.424847Z",
"structure_string": "Mg1 Fe3 Co2 Sb1 P6 O24\n1.0\n8.692604 -0.181692 -0.056863\n4.474364 -7.520593 0.044480\n4.414990 -2.510074 -7.223973\nMg Fe Co Sb P O\n1 3 2 1 6 24\ndirect\n0.251121 0.257768 0.857426 Mg\n0.058922 0.657063 0.632718 Fe\n0.449909 0.845838 0.847148 Fe\n0.924414 0.357769 0.360176 Fe\n0.013919 0.981361 0.005982 Co\n0.505700 0.508813 0.488748 Co\n0.568140 0.142504 0.149704 Sb\n0.246854 0.249029 0.549378 P\n0.240385 0.954012 0.258416 P\n0.246944 0.546810 0.963903 P\n0.766172 0.440850 0.046900 P\n0.723731 0.063010 0.752471 P\n0.753647 0.745675 0.451514 P\n0.051152 0.095550 0.335420 O\n0.068482 0.515284 0.114524 O\n0.072724 0.305623 0.512751 O\n0.235848 0.093459 0.748654 O\n0.440658 0.180777 0.393494 O\n0.276599 0.396179 0.574998 O\n0.232652 0.957141 0.080037 O\n0.292484 0.753531 0.395695 O\n0.616199 0.612025 0.960886 O\n0.289721 0.514593 0.784581 O\n0.773453 0.242914 0.065188 O\n0.526412 0.045211 0.824452 O\n0.410358 0.023481 0.180898 O\n0.237245 0.747268 0.923958 O\n0.714865 0.438719 0.240709 O\n0.432841 0.401649 0.020485 O\n0.706758 0.255831 0.603009 O\n0.751555 0.067149 0.918182 O\n0.709851 0.605818 0.437931 O\n0.581855 0.834114 0.601085 O\n0.770350 0.910691 0.248798 O\n0.945637 0.680531 0.465393 O\n0.970449 0.431444 0.912648 O\n0.891995 0.890515 0.705801 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Fe",
"Co",
"Sb",
"P",
"O"
],
"chemical_system": "Co-Fe-Mg-O-P-Sb",
"density": 3.5674709824474142,
"density_atomic": 0.07938733413142336,
"volume": 466.06930947885974,
"volume_molar": 7.585770231345123,
"formula_full": "Mg1 Fe3 Co2 Sb1 P6 O24",
"formula_reduced": "MgFe3Co2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -281.66930765,
"energy_per_atom": -7.612683990540541,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.13730765,
"band_gap": 0.7006999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.012000Z",
"spacegroup": 1
},
{
"id": "mp-1233569",
"created_at": "2022-09-04T14:47:02.659015Z",
"structure_string": "Mg1 Fe3 Co2 Sb1 P6 O24\n1.0\n8.720635 -0.019224 -0.027418\n4.345543 -7.578589 0.001173\n4.356394 -2.530939 -7.134540\nMg Fe Co Sb P O\n1 3 2 1 6 24\ndirect\n0.379316 0.873037 0.874079 Mg\n0.103925 0.632294 0.631920 Fe\n0.744246 0.751956 0.752217 Fe\n0.925268 0.358207 0.357934 Fe\n0.988304 0.007940 0.000612 Co\n0.497975 0.499010 0.503226 Co\n0.544727 0.151398 0.151715 Sb\n0.229986 0.255179 0.550630 P\n0.230313 0.963598 0.254756 P\n0.231173 0.550581 0.963716 P\n0.731554 0.455549 0.061153 P\n0.732640 0.060782 0.751319 P\n0.731743 0.752096 0.455488 P\n0.062727 0.107479 0.342880 O\n0.062672 0.486768 0.106906 O\n0.061868 0.343735 0.487392 O\n0.193159 0.101930 0.745824 O\n0.410431 0.155860 0.408766 O\n0.285404 0.398068 0.550314 O\n0.194565 0.958246 0.101485 O\n0.283993 0.766993 0.398888 O\n0.563153 0.621810 0.008121 O\n0.286172 0.548892 0.766022 O\n0.742453 0.258559 0.077566 O\n0.563345 0.008351 0.806543 O\n0.412029 0.023219 0.155952 O\n0.195246 0.744607 0.958520 O\n0.717520 0.428774 0.255440 O\n0.411579 0.407782 0.024024 O\n0.720099 0.254098 0.597183 O\n0.743185 0.078387 0.920676 O\n0.717498 0.597877 0.429851 O\n0.562998 0.807817 0.622165 O\n0.743247 0.921105 0.258027 O\n0.909679 0.705117 0.489261 O\n0.909889 0.489179 0.895870 O\n0.910294 0.895596 0.705431 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Fe",
"Co",
"Sb",
"P",
"O"
],
"chemical_system": "Co-Fe-Mg-O-P-Sb",
"density": 3.5350133743403918,
"density_atomic": 0.07866505131747004,
"volume": 470.34864123686134,
"volume_molar": 7.655420875143566,
"formula_full": "Mg1 Fe3 Co2 Sb1 P6 O24",
"formula_reduced": "MgFe3Co2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -281.27447966,
"energy_per_atom": -7.602012963783784,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.74247966,
"band_gap": 1.4184,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.012000Z",
"spacegroup": 146
},
{
"id": "mp-1234410",
"created_at": "2022-09-04T14:43:56.283181Z",
"structure_string": "Mg1 Fe3 Co2 Sb1 P6 O24\n1.0\n8.936348 0.000878 0.081007\n4.433009 -7.612252 0.011439\n4.370989 -2.574133 -7.186743\nMg Fe Co Sb P O\n1 3 2 1 6 24\ndirect\n0.965474 0.014479 0.008216 Mg\n0.086419 0.633261 0.641295 Fe\n0.708966 0.773107 0.756628 Fe\n0.914770 0.360132 0.364180 Fe\n0.350371 0.870407 0.895993 Co\n0.496309 0.515236 0.488520 Co\n0.520162 0.156726 0.161733 Sb\n0.207913 0.255132 0.567970 P\n0.213986 0.961496 0.263296 P\n0.203798 0.562542 0.972325 P\n0.734782 0.465572 0.053429 P\n0.741996 0.061419 0.739840 P\n0.743278 0.745599 0.455428 P\n0.051514 0.114051 0.337148 O\n0.041945 0.499621 0.121070 O\n0.040137 0.331174 0.510469 O\n0.178461 0.106561 0.764028 O\n0.382474 0.174037 0.425082 O\n0.245360 0.410912 0.570341 O\n0.175193 0.945588 0.119095 O\n0.254311 0.762138 0.419810 O\n0.563784 0.621762 0.988430 O\n0.243881 0.562625 0.776611 O\n0.780776 0.273336 0.055272 O\n0.569982 0.003543 0.819779 O\n0.392818 0.002063 0.178382 O\n0.167185 0.760849 0.954876 O\n0.701654 0.460525 0.245777 O\n0.381838 0.425101 0.020868 O\n0.709304 0.253447 0.582842 O\n0.787849 0.064063 0.883542 O\n0.709218 0.592381 0.449867 O\n0.570662 0.827963 0.605245 O\n0.789811 0.888759 0.263376 O\n0.895778 0.668766 0.542972 O\n0.887777 0.549785 0.894076 O\n0.894755 0.896155 0.664689 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Fe",
"Co",
"Sb",
"P",
"O"
],
"chemical_system": "Co-Fe-Mg-O-P-Sb",
"density": 3.386706810188769,
"density_atomic": 0.07536476861857304,
"volume": 490.9455794558314,
"volume_molar": 7.99065779725076,
"formula_full": "Mg1 Fe3 Co2 Sb1 P6 O24",
"formula_reduced": "MgFe3Co2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -280.67936731,
"energy_per_atom": -7.585928846216215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.14736731,
"band_gap": 1.4202,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.225000Z",
"spacegroup": 1
},
{
"id": "mp-1234723",
"created_at": "2022-09-04T14:47:05.680728Z",
"structure_string": "Mg1 Fe3 Co2 Sb1 P6 O24\n1.0\n8.668153 -0.118940 -0.144292\n4.406219 -7.599999 0.018964\n4.456762 -2.498821 -7.144173\nMg Fe Co Sb P O\n1 3 2 1 6 24\ndirect\n0.749526 0.379310 0.729077 Mg\n0.068242 0.645643 0.644420 Fe\n0.434336 0.862923 0.855049 Fe\n0.934418 0.356986 0.347884 Fe\n0.035098 0.968656 0.012425 Co\n0.496267 0.498222 0.487990 Co\n0.566881 0.137142 0.148898 Sb\n0.223888 0.259568 0.562934 P\n0.246575 0.946733 0.264023 P\n0.261273 0.542678 0.939839 P\n0.749509 0.458385 0.042313 P\n0.741510 0.046648 0.752125 P\n0.744966 0.766689 0.458085 P\n0.078285 0.094776 0.346630 O\n0.104324 0.473487 0.103638 O\n0.026493 0.332553 0.550666 O\n0.222404 0.094373 0.744141 O\n0.384914 0.216593 0.371481 O\n0.269418 0.411405 0.558333 O\n0.225252 0.940082 0.103882 O\n0.279369 0.747807 0.411001 O\n0.584798 0.595847 0.973768 O\n0.285729 0.558395 0.744714 O\n0.771006 0.251504 0.062570 O\n0.553938 0.020086 0.834921 O\n0.445514 0.975367 0.193029 O\n0.239416 0.729537 0.936060 O\n0.714093 0.451326 0.236977 O\n0.469863 0.381396 0.952900 O\n0.723960 0.247976 0.602587 O\n0.774169 0.080014 0.901600 O\n0.715150 0.593435 0.479781 O\n0.565093 0.875641 0.579493 O\n0.778803 0.904168 0.240688 O\n0.929386 0.706425 0.487439 O\n0.942422 0.478371 0.888648 O\n0.921527 0.883915 0.699991 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Fe",
"Co",
"Sb",
"P",
"O"
],
"chemical_system": "Co-Fe-Mg-O-P-Sb",
"density": 3.58336962245899,
"density_atomic": 0.07974112836073712,
"volume": 464.00146023288573,
"volume_molar": 7.552113800994541,
"formula_full": "Mg1 Fe3 Co2 Sb1 P6 O24",
"formula_reduced": "MgFe3Co2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -280.8340739,
"energy_per_atom": -7.590110105405406,
"energy_above_hull": null,
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"energy_uncorrected": -254.3020739,
"band_gap": 0.2296999999999998,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.791000Z",
"spacegroup": 1
},
{
"id": "mp-1234239",
"created_at": "2022-09-04T14:39:46.194004Z",
"structure_string": "Mg1 Fe3 Co2 Sb1 P6 O24\n1.0\n8.803197 0.052335 0.049903\n4.324145 -7.561822 -0.004436\n4.313744 -2.542812 -7.139757\nMg Fe Co Sb P O\n1 3 2 1 6 24\ndirect\n0.230526 0.257225 0.255603 Mg\n0.059231 0.647235 0.647054 Fe\n0.449261 0.848848 0.850340 Fe\n0.877433 0.374040 0.374871 Fe\n0.043437 0.990862 0.983505 Co\n0.478992 0.507613 0.509420 Co\n0.620040 0.126284 0.126253 Sb\n0.245743 0.252960 0.553550 P\n0.244494 0.947692 0.252991 P\n0.244243 0.555655 0.947978 P\n0.751758 0.465138 0.037013 P\n0.749396 0.037730 0.746496 P\n0.747781 0.746185 0.467439 P\n0.076985 0.115472 0.300320 O\n0.076617 0.508032 0.115370 O\n0.076887 0.301679 0.505429 O\n0.243877 0.086111 0.741218 O\n0.412304 0.205654 0.379598 O\n0.262863 0.413162 0.568666 O\n0.242406 0.927833 0.086679 O\n0.261231 0.756372 0.413890 O\n0.583624 0.592650 0.971749 O\n0.259568 0.570429 0.756899 O\n0.805245 0.255292 0.042465 O\n0.581835 0.972267 0.851781 O\n0.412881 0.001969 0.205339 O\n0.244519 0.742677 0.927747 O\n0.701951 0.452959 0.237800 O\n0.411936 0.379359 0.002188 O\n0.698085 0.239863 0.608019 O\n0.804313 0.042526 0.897037 O\n0.695712 0.607019 0.456192 O\n0.581348 0.851238 0.594522 O\n0.801503 0.895929 0.258413 O\n0.922855 0.659334 0.516931 O\n0.925914 0.514328 0.898906 O\n0.923204 0.900382 0.660323 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Fe",
"Co",
"Sb",
"P",
"O"
],
"chemical_system": "Co-Fe-Mg-O-P-Sb",
"density": 3.4793352311138106,
"density_atomic": 0.07742603931656133,
"volume": 477.8754063438932,
"volume_molar": 7.777926926338167,
"formula_full": "Mg1 Fe3 Co2 Sb1 P6 O24",
"formula_reduced": "MgFe3Co2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -280.05120357,
"energy_per_atom": -7.568951447837837,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -253.51920357,
"band_gap": 0.1614999999999997,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.993000Z",
"spacegroup": 146
},
{
"id": "mp-1233136",
"created_at": "2022-09-04T14:48:29.863516Z",
"structure_string": "Mg1 Fe3 Co2 Sb1 P6 O24\n1.0\n8.730403 -0.036564 -0.051853\n4.364710 -7.603456 -0.002123\n4.386316 -2.536294 -7.156354\nMg Fe Co Sb P O\n1 3 2 1 6 24\ndirect\n0.132818 0.621607 0.624131 Mg\n0.767813 0.744678 0.743356 Fe\n0.412904 0.862039 0.863057 Fe\n0.953551 0.349333 0.348270 Fe\n0.016723 0.997565 0.992018 Co\n0.530564 0.490501 0.489008 Co\n0.572272 0.142214 0.142807 Sb\n0.260151 0.250343 0.543392 P\n0.260455 0.945501 0.251030 P\n0.261579 0.542479 0.946391 P\n0.757834 0.446766 0.048796 P\n0.758973 0.049158 0.745988 P\n0.759019 0.746586 0.445606 P\n0.086773 0.086576 0.330937 O\n0.086558 0.495814 0.086449 O\n0.087170 0.329814 0.496097 O\n0.233562 0.086862 0.738727 O\n0.443611 0.159332 0.394644 O\n0.311807 0.388666 0.552861 O\n0.236303 0.939891 0.087106 O\n0.311239 0.746430 0.389633 O\n0.587354 0.611115 0.991359 O\n0.314283 0.551134 0.746444 O\n0.773785 0.252211 0.056434 O\n0.587558 0.991752 0.809885 O\n0.443630 0.002129 0.160705 O\n0.236402 0.736318 0.941113 O\n0.734740 0.424049 0.241919 O\n0.442471 0.393170 0.004565 O\n0.737966 0.241264 0.598030 O\n0.773812 0.058064 0.916958 O\n0.736553 0.598969 0.423074 O\n0.587450 0.810639 0.610888 O\n0.775164 0.917695 0.250457 O\n0.933626 0.696590 0.487347 O\n0.933320 0.489064 0.881753 O\n0.933647 0.881808 0.696890 O\n",
"nsites": 37,
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"elements": [
"Mg",
"Fe",
"Co",
"Sb",
"P",
"O"
],
"chemical_system": "Co-Fe-Mg-O-P-Sb",
"density": 3.5174029000108287,
"density_atomic": 0.07827316344600799,
"volume": 472.7035215016219,
"volume_molar": 7.693749038460685,
"formula_full": "Mg1 Fe3 Co2 Sb1 P6 O24",
"formula_reduced": "MgFe3Co2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -280.56940165,
"energy_per_atom": -7.582956801351351,
"energy_above_hull": null,
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"energy_uncorrected": -254.03740165,
"band_gap": 0.4855999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:42.517000Z",
"spacegroup": 146
},
{
"id": "mp-1234431",
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{
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{
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{
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}