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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=106",
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"results": [
{
"id": "mp-1174985",
"created_at": "2022-09-04T14:41:36.408248Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.380029 4.924968 0.000000\n-4.380029 4.924968 0.000000\n0.000000 0.842719 4.977728\nLi Mn Co O\n7 2 3 12\ndirect\n0.259792 0.253968 0.239937 Li\n0.578979 0.920401 0.251032 Li\n0.079599 0.421021 0.748968 Li\n0.420720 0.089652 0.753915 Li\n0.910348 0.579280 0.246085 Li\n0.746032 0.740208 0.760063 Li\n0.665723 0.334277 0.000000 Li\n0.997086 0.002914 0.000000 Mn\n0.829367 0.170633 0.500000 Mn\n0.342954 0.657046 0.000000 Co\n0.175714 0.824286 0.500000 Co\n0.504831 0.495169 0.500000 Co\n0.271414 0.949968 0.121297 O\n0.607419 0.626849 0.142447 O\n0.103305 0.115850 0.641402 O\n0.445673 0.789220 0.624366 O\n0.955347 0.265699 0.143622 O\n0.790804 0.439469 0.609378 O\n0.210780 0.554327 0.375634 O\n0.560531 0.209196 0.390622 O\n0.050032 0.728586 0.878703 O\n0.373151 0.392581 0.857553 O\n0.884150 0.896695 0.358598 O\n0.734301 0.044653 0.856378 O\n",
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],
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"formula_full": "Li7 Mn2 Co3 O12",
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"energy": -157.62081665,
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"spacegroup": 5
},
{
"id": "mp-756706",
"created_at": "2022-09-04T14:41:48.450402Z",
"structure_string": "Li4 Cr1 Co3 O8\n1.0\n5.108343 -2.940876 0.000000\n5.108343 2.940876 0.000000\n3.415280 0.000000 4.804142\nLi Cr Co O\n4 1 3 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.758501 0.256884 0.758501 O\n0.743727 0.743727 0.743727 O\n0.758501 0.758501 0.256884 O\n0.256884 0.758501 0.758501 O\n0.743116 0.241499 0.241499 O\n0.241499 0.241499 0.743116 O\n0.256273 0.256273 0.256273 O\n0.241499 0.743116 0.241499 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.423895250871488,
"density_atomic": 0.11084532671564024,
"volume": 144.3452825128658,
"volume_molar": 5.432922558340278,
"formula_full": "Li4 Cr1 Co3 O8",
"formula_reduced": "Li4CrCo3O8",
"formula_anonymous": "AB3C4D8",
"energy": -106.89068153,
"energy_per_atom": -6.680667595625,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -94.48168153,
"band_gap": 0.33,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 15.0000009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.194000Z",
"spacegroup": 166
},
{
"id": "mp-1199239",
"created_at": "2022-09-04T14:41:46.677268Z",
"structure_string": "Cu4 P8 H28 C8 N4 O24\n1.0\n7.505136 0.000000 0.000000\n0.000000 8.949067 0.000000\n0.000000 7.556166 11.257071\nCu P H C N O\n4 8 28 8 4 24\ndirect\n0.701809 0.022937 0.525410 Cu\n0.798191 0.022937 0.025410 Cu\n0.298191 0.977063 0.474590 Cu\n0.201809 0.977063 0.974590 Cu\n0.018232 0.998094 0.663368 P\n0.481768 0.998094 0.163368 P\n0.981768 0.001906 0.336632 P\n0.518232 0.001906 0.836632 P\n0.505736 0.374974 0.356972 P\n0.994264 0.374974 0.856972 P\n0.494264 0.625026 0.643028 P\n0.005736 0.625026 0.143028 P\n0.898896 0.288016 0.406208 H\n0.601104 0.288016 0.906208 H\n0.101104 0.711984 0.593792 H\n0.398896 0.711984 0.093792 H\n0.891559 0.963085 0.823985 H\n0.608441 0.963085 0.323985 H\n0.108441 0.036915 0.176015 H\n0.391559 0.036915 0.676015 H\n0.223228 0.492207 0.329222 H\n0.276772 0.492207 0.829222 H\n0.776772 0.507793 0.670778 H\n0.723228 0.507793 0.170778 H\n0.046645 0.326095 0.537905 H\n0.453355 0.326095 0.037905 H\n0.953355 0.673905 0.462095 H\n0.546645 0.673905 0.962095 H\n0.856211 0.253069 0.633255 H\n0.643789 0.253069 0.133255 H\n0.143789 0.746931 0.366745 H\n0.356211 0.746931 0.866745 H\n0.630369 0.398502 0.511366 H\n0.869631 0.398502 0.011366 H\n0.369631 0.601498 0.488634 H\n0.130369 0.601498 0.988634 H\n0.750248 0.537393 0.375316 H\n0.749752 0.537393 0.875316 H\n0.249752 0.462607 0.624684 H\n0.250248 0.462607 0.124684 H\n0.934294 0.231274 0.573722 C\n0.565706 0.231274 0.073722 C\n0.065706 0.768726 0.426278 C\n0.434294 0.768726 0.926278 C\n0.686507 0.405569 0.434066 C\n0.813493 0.405569 0.934066 C\n0.313493 0.594431 0.565934 C\n0.186507 0.594431 0.065934 C\n0.818115 0.257443 0.476706 N\n0.681885 0.257443 0.976706 N\n0.181885 0.742557 0.523294 N\n0.318115 0.742557 0.023294 N\n0.889267 0.887344 0.639310 O\n0.610733 0.887344 0.139310 O\n0.110733 0.112656 0.360690 O\n0.389267 0.112656 0.860690 O\n0.009301 0.939130 0.797488 O\n0.490699 0.939130 0.297488 O\n0.990699 0.060870 0.202512 O\n0.509301 0.060870 0.702512 O\n0.211740 0.985730 0.636287 O\n0.288260 0.985730 0.136287 O\n0.788260 0.014270 0.363713 O\n0.711740 0.014270 0.863713 O\n0.486234 0.163902 0.431394 O\n0.013766 0.163902 0.931394 O\n0.513766 0.836098 0.568606 O\n0.986234 0.836098 0.068606 O\n0.341050 0.460548 0.378601 O\n0.158950 0.460548 0.878601 O\n0.658950 0.539452 0.621399 O\n0.841050 0.539452 0.121399 O\n0.546740 0.459788 0.226698 O\n0.953260 0.459788 0.726698 O\n0.453260 0.540212 0.773302 O\n0.046740 0.540212 0.273302 O\n",
"nsites": 76,
"nelements": 6,
"elements": [
"Cu",
"P",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Cu-H-N-O-P",
"density": 2.3418792632852456,
"density_atomic": 0.10051985674273631,
"volume": 756.0695216121252,
"volume_molar": 5.990996162492211,
"formula_full": "Cu4 P8 H28 C8 N4 O24",
"formula_reduced": "CuP2H7C2NO6",
"formula_anonymous": "ABC2D2E6F7",
"energy": -469.54746335,
"energy_per_atom": -6.178256096710526,
"energy_above_hull": null,
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"energy_uncorrected": -451.61546335,
"band_gap": 0.1852999999999998,
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"updated_at": "2021-11-28T01:35:25.428000Z",
"spacegroup": 14
},
{
"id": "mp-1288991",
"created_at": "2022-09-04T14:41:36.408943Z",
"structure_string": "Fe4 P4 H24 N4 O20\n1.0\n5.722006 -0.000255 0.000523\n-0.000385 9.016985 0.001147\n0.001597 0.001356 9.645123\nFe P H N O\n4 4 24 4 20\ndirect\n0.499362 0.025525 0.754040 Fe\n0.999673 0.976343 0.503413 Fe\n0.500758 0.019656 0.253220 Fe\n0.000333 0.978523 0.003956 Fe\n0.500333 0.802755 0.038763 P\n0.497476 0.805080 0.538183 P\n0.002009 0.194358 0.288937 P\n0.999971 0.197016 0.787799 P\n0.499991 0.543006 0.404388 H\n0.499955 0.541916 0.905975 H\n0.999612 0.457786 0.155468 H\n0.000029 0.457320 0.654932 H\n0.499742 0.546015 0.224413 H\n0.500089 0.547153 0.726050 H\n0.999928 0.452611 0.475069 H\n0.999989 0.454654 0.975622 H\n0.649547 0.413043 0.311959 H\n0.649086 0.412850 0.811651 H\n0.351651 0.412262 0.312111 H\n0.351065 0.412677 0.811650 H\n0.850744 0.587980 0.062791 H\n0.850821 0.586642 0.561096 H\n0.148913 0.588143 0.062874 H\n0.148661 0.586970 0.561178 H\n0.637521 0.188700 0.036409 H\n0.636482 0.192306 0.536441 H\n0.364032 0.188863 0.036304 H\n0.363106 0.191613 0.533184 H\n0.863528 0.807075 0.284705 H\n0.863242 0.812944 0.786807 H\n0.135831 0.807668 0.282948 H\n0.137744 0.812915 0.786524 H\n0.500005 0.477896 0.313468 N\n0.499934 0.477857 0.813970 N\n0.999947 0.522933 0.064345 N\n0.000062 0.521604 0.563251 N\n0.501374 0.835858 0.382101 O\n0.500067 0.836110 0.883015 O\n0.999920 0.161515 0.132742 O\n0.998799 0.165944 0.631991 O\n0.500677 0.631426 0.061918 O\n0.503131 0.634702 0.563313 O\n0.996344 0.365288 0.311763 O\n0.998824 0.367688 0.813247 O\n0.500671 0.200227 0.098143 O\n0.497800 0.205709 0.596119 O\n0.000800 0.793898 0.345765 O\n0.000548 0.801308 0.847953 O\n0.718669 0.873083 0.113354 O\n0.709292 0.882314 0.613932 O\n0.281173 0.872557 0.113005 O\n0.274361 0.874068 0.608829 O\n0.787089 0.119769 0.363873 O\n0.784769 0.123387 0.863153 O\n0.223124 0.126355 0.361406 O\n0.221397 0.126136 0.859884 O\n",
"nsites": 56,
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"elements": [
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"N",
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],
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"density": 2.4942012936702045,
"density_atomic": 0.11253059513621679,
"volume": 497.64244054883693,
"volume_molar": 5.351558616312549,
"formula_full": "Fe4 P4 H24 N4 O20",
"formula_reduced": "FePH6NO5",
"formula_anonymous": "ABCD5E6",
"energy": -353.67382755999995,
"energy_per_atom": -6.315604063571428,
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"updated_at": "2021-11-28T01:35:27.793000Z",
"spacegroup": 1
},
{
"id": "mp-1193906",
"created_at": "2022-09-04T14:41:48.429184Z",
"structure_string": "Mg6 Si4 O18\n1.0\n2.702589 -4.696975 0.000000\n2.702589 4.696975 0.000000\n0.000000 0.000000 15.006197\nMg Si O\n6 4 18\ndirect\n0.365282 0.365282 0.727179 Mg\n0.634718 0.634718 0.227179 Mg\n0.078141 0.721557 0.725327 Mg\n0.721557 0.078141 0.725327 Mg\n0.921859 0.278443 0.225327 Mg\n0.278443 0.921859 0.225327 Mg\n0.384055 0.050805 0.537563 Si\n0.050805 0.384055 0.537563 Si\n0.615945 0.949195 0.037563 Si\n0.949195 0.615945 0.037563 Si\n0.219644 0.219644 0.503679 O\n0.780356 0.780356 0.003679 O\n0.717837 0.214474 0.502279 O\n0.214474 0.717837 0.502279 O\n0.282163 0.785526 0.002279 O\n0.785526 0.282163 0.002279 O\n0.386593 0.052358 0.647570 O\n0.052358 0.386593 0.647570 O\n0.613407 0.947642 0.147570 O\n0.947642 0.613407 0.147570 O\n0.720752 0.720752 0.674742 O\n0.279248 0.279248 0.174742 O\n0.025193 0.025193 0.786647 O\n0.974807 0.974807 0.286647 O\n0.722811 0.414978 0.786638 O\n0.414978 0.722811 0.786638 O\n0.277189 0.585022 0.286638 O\n0.585022 0.277189 0.286638 O\n",
"nsites": 28,
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"volume": 380.9771183970988,
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"formula_full": "Mg6 Si4 O18",
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"energy": -188.98661543,
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"spacegroup": 36
},
{
"id": "mp-1045736",
"created_at": "2022-09-04T14:41:48.431683Z",
"structure_string": "Zn2 Mo4 O12\n1.0\n5.508901 0.000000 0.000000\n0.000000 5.323203 0.000000\n0.000000 5.220565 7.644501\nZn Mo O\n2 4 12\ndirect\n0.714242 0.755143 0.749817 Zn\n0.285758 0.755143 0.249817 Zn\n0.233892 0.493459 0.003865 Mo\n0.747541 0.005602 0.004544 Mo\n0.766108 0.493459 0.503865 Mo\n0.252459 0.005602 0.504544 Mo\n0.563905 0.760449 0.556169 O\n0.442366 0.377751 0.443405 O\n0.042671 0.246749 0.951765 O\n0.965215 0.653996 0.041551 O\n0.957329 0.246749 0.451765 O\n0.034785 0.653996 0.541551 O\n0.436095 0.760449 0.056169 O\n0.557634 0.377751 0.943405 O\n0.727056 0.116419 0.754069 O\n0.272944 0.116419 0.254069 O\n0.225423 0.829594 0.744503 O\n0.774577 0.829594 0.244503 O\n",
"nsites": 18,
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"elements": [
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"Mo",
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],
"chemical_system": "Mo-O-Zn",
"density": 5.233806295641759,
"density_atomic": 0.08029442034807817,
"volume": 224.1749790579418,
"volume_molar": 7.5000737708721,
"formula_full": "Zn2 Mo4 O12",
"formula_reduced": "Zn(MoO3)2",
"formula_anonymous": "AB2C6",
"energy": -138.24944961,
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"updated_at": "2021-11-28T01:35:27.439000Z",
"spacegroup": 7
},
{
"id": "mp-18978",
"created_at": "2022-09-04T14:41:35.721747Z",
"structure_string": "Sr2 Mn1 O4\n1.0\n3.711756 0.000000 -1.078662\n-0.313466 3.698496 -1.078662\n-0.019388 -0.021100 6.858832\nSr Mn O\n2 1 4\ndirect\n0.643815 0.643814 0.287628 Sr\n0.356185 0.356186 0.712372 Sr\n0.000000 0.000000 0.000000 Mn\n0.843583 0.843583 0.687167 O\n0.156417 0.156417 0.312833 O\n0.000001 0.500001 0.000001 O\n0.499999 0.000000 0.000000 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 5.19733954325367,
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"volume": 93.98850063564353,
"volume_molar": 8.08588543784564,
"formula_full": "Sr2 Mn1 O4",
"formula_reduced": "Sr2MnO4",
"formula_anonymous": "AB2C4",
"energy": -51.20611398,
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"updated_at": "2021-11-28T01:35:29.331000Z",
"spacegroup": 139
},
{
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