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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12130",
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"results": [
{
"id": "mp-2051",
"created_at": "2022-09-04T14:48:19.874634Z",
"structure_string": "La1 Cu2\n1.0\n2.164026 -3.748202 0.000000\n2.164026 3.748202 0.000000\n0.000000 0.000000 3.825442\nLa Cu\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.500000 Cu\n0.666667 0.333333 0.500000 Cu\n",
"nsites": 3,
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"elements": [
"La",
"Cu"
],
"chemical_system": "Cu-La",
"density": 7.117533559830736,
"density_atomic": 0.048341951120215956,
"volume": 62.05790065319561,
"volume_molar": 12.457380433454663,
"formula_full": "La1 Cu2",
"formula_reduced": "LaCu2",
"formula_anonymous": "AB2",
"energy": -13.78139885,
"energy_per_atom": -4.593799616666667,
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"updated_at": "2021-11-28T01:38:56.010000Z",
"spacegroup": 191
},
{
"id": "mp-1643277",
"created_at": "2022-09-04T14:48:19.882738Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n5.132431 0.185366 0.754512\n-2.279042 5.454019 0.840717\n-3.168049 -5.293533 13.649121\nLi Mn Co O\n14 8 2 24\ndirect\n0.166665 0.333327 0.166654 Li\n0.666676 0.833327 0.666664 Li\n0.601497 0.159408 0.092324 Li\n0.106266 0.657893 0.592051 Li\n0.731868 0.507198 0.240988 Li\n0.227097 0.008682 0.741286 Li\n0.758723 0.011615 0.246321 Li\n0.255759 0.503508 0.744619 Li\n0.574607 0.655010 0.087005 Li\n0.077557 0.163103 0.588685 Li\n0.920943 0.834424 0.417957 Li\n0.418246 0.331435 0.916455 Li\n0.915076 0.335236 0.416896 Li\n0.412313 0.832279 0.915358 Li\n0.007999 0.999064 0.001403 Mn\n0.511173 0.502417 0.503861 Mn\n0.325425 0.667801 0.331875 Mn\n0.822154 0.164204 0.829498 Mn\n0.993862 0.493660 0.002845 Mn\n0.499384 0.999712 0.504090 Mn\n0.339661 0.172993 0.330486 Mn\n0.833901 0.666751 0.829217 Mn\n0.666672 0.333371 0.666681 Co\n0.166671 0.833314 0.166673 Co\n0.245587 0.331625 0.032356 O\n0.750217 0.837762 0.533823 O\n0.087686 0.335109 0.300919 O\n0.583083 0.828904 0.799532 O\n0.463915 0.174014 0.216950 O\n0.944765 0.650968 0.712460 O\n0.869579 0.492648 0.116364 O\n0.388467 0.015692 0.620924 O\n0.588802 0.001092 0.377177 O\n0.086332 0.499184 0.876036 O\n0.246997 0.167550 0.457310 O\n0.744504 0.665638 0.956185 O\n0.278472 0.802416 0.044267 O\n0.780665 0.308446 0.546366 O\n0.054830 0.864326 0.289043 O\n0.552636 0.358215 0.787023 O\n0.422362 0.683932 0.211453 O\n0.927680 0.179224 0.711866 O\n0.910987 0.982698 0.121853 O\n0.405538 0.487409 0.621507 O\n0.616455 0.482895 0.378871 O\n0.113000 0.977228 0.876190 O\n0.220342 0.689462 0.457163 O\n0.716904 0.183829 0.954472 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.988949087841715,
"density_atomic": 0.11102772482175216,
"volume": 432.3244493847001,
"volume_molar": 5.423997267050332,
"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -332.01900126,
"energy_per_atom": -6.91706252625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -298.91100126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9999926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.770000Z",
"spacegroup": 2
},
{
"id": "mp-1019587",
"created_at": "2022-09-04T14:48:19.885378Z",
"structure_string": "Ca2 Al4 Si2 O12\n1.0\n4.359368 4.875792 0.000000\n-4.359368 4.875792 0.000000\n0.000000 1.470326 5.117693\nCa Al Si O\n2 4 2 12\ndirect\n0.696529 0.323385 0.240861 Ca\n0.323385 0.696529 0.740861 Ca\n0.612923 0.809425 0.208479 Al\n0.809425 0.612923 0.708479 Al\n0.089482 0.908824 0.261270 Al\n0.908824 0.089482 0.761270 Al\n0.189364 0.381171 0.283682 Si\n0.381171 0.189364 0.783682 Si\n0.828096 0.974976 0.122904 O\n0.357902 0.910582 0.320064 O\n0.610232 0.660628 0.972379 O\n0.020929 0.200168 0.374956 O\n0.110382 0.624244 0.202455 O\n0.333981 0.356778 0.512950 O\n0.200168 0.020929 0.874956 O\n0.624244 0.110382 0.702455 O\n0.356778 0.333981 0.012950 O\n0.974976 0.828096 0.622904 O\n0.910582 0.357902 0.820064 O\n0.660628 0.610232 0.472379 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.329718982567048,
"density_atomic": 0.09192995927616701,
"volume": 217.55693309857728,
"volume_molar": 6.550792372167677,
"formula_full": "Ca2 Al4 Si2 O12",
"formula_reduced": "CaAl2SiO6",
"formula_anonymous": "ABC2D6",
"energy": -157.10228977,
"energy_per_atom": -7.8551144885,
"energy_above_hull": null,
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"energy_uncorrected": -148.85828977,
"band_gap": 4.596000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:33.730000Z",
"spacegroup": 9
},
{
"id": "mp-1097097",
"created_at": "2022-09-04T14:48:20.149289Z",
"structure_string": "Hf2 Al1 Re1\n1.0\n-5.149440 5.531119 7.456235\n5.149440 -5.531119 7.456235\n5.149440 5.531119 -7.456235\nHf Al Re\n2 1 1\ndirect\n0.000000 0.273791 0.273791 Hf\n0.000000 0.726209 0.726209 Hf\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Re"
],
"chemical_system": "Al-Hf-Re",
"density": 1.1145505332197436,
"density_atomic": 0.004708769244955227,
"volume": 849.4788748217867,
"volume_molar": 127.89203392058049,
"formula_full": "Hf2 Al1 Re1",
"formula_reduced": "Hf2AlRe",
"formula_anonymous": "ABC2",
"energy": -21.14303148,
"energy_per_atom": -5.28575787,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.14303148,
"band_gap": 0.1311,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:56.070000Z",
"spacegroup": 71
},
{
"id": "mp-754167",
"created_at": "2022-09-04T14:48:19.890395Z",
"structure_string": "Mn5 O1 F11\n1.0\n-5.262974 -0.033281 -0.042921\n2.539357 -5.114164 0.015693\n0.167615 -2.862743 8.777978\nMn O F\n5 1 11\ndirect\n0.760667 0.559282 0.415702 Mn\n0.535784 0.089707 0.172158 Mn\n0.328995 0.596001 0.891433 Mn\n0.029929 0.062660 0.635709 Mn\n0.019162 0.011538 0.001517 Mn\n0.402877 0.259802 0.990000 O\n0.027287 0.270811 0.796893 F\n0.952594 0.331975 0.468073 F\n0.432609 0.295822 0.590830 F\n0.539456 0.340794 0.288589 F\n0.628241 0.823592 0.711409 F\n0.606702 0.820194 0.029618 F\n0.614707 0.829766 0.338017 F\n0.953889 0.303200 0.077516 F\n0.088876 0.810256 0.201361 F\n0.012955 0.797803 0.524496 F\n0.101589 0.820879 0.853688 F\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.500268813747479,
"density_atomic": 0.07171601617713796,
"volume": 237.04607291640602,
"volume_molar": 8.397204810046004,
"formula_full": "Mn5 O1 F11",
"formula_reduced": "Mn5OF11",
"formula_anonymous": "AB5C11",
"energy": -117.94402369,
"energy_per_atom": -6.937883746470588,
"energy_above_hull": null,
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"energy_uncorrected": -103.83502369,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 22.0021729,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:06.353000Z",
"spacegroup": 1
},
{
"id": "mp-1209278",
"created_at": "2022-09-04T14:48:19.894593Z",
"structure_string": "Tb6 Cu40 Sb22\n1.0\n0.000000 8.459404 8.459404\n8.459404 0.000000 8.459404\n8.459404 8.459404 0.000000\nTb Cu Sb\n6 40 22\ndirect\n0.489524 0.010476 0.010476 Tb\n0.010476 0.489524 0.489524 Tb\n0.010476 0.489524 0.010476 Tb\n0.489524 0.010476 0.489524 Tb\n0.010476 0.010476 0.489524 Tb\n0.489524 0.489524 0.010476 Tb\n0.996920 0.996920 0.231973 Cu\n0.996920 0.996920 0.774187 Cu\n0.231973 0.774187 0.996920 Cu\n0.231973 0.996920 0.996920 Cu\n0.774187 0.231973 0.996920 Cu\n0.774187 0.996920 0.996920 Cu\n0.996920 0.231973 0.774187 Cu\n0.996920 0.774187 0.231973 Cu\n0.996920 0.231973 0.996920 Cu\n0.774187 0.996920 0.231973 Cu\n0.231973 0.996920 0.774187 Cu\n0.996920 0.774187 0.996920 Cu\n0.251571 0.251571 0.865448 Cu\n0.251571 0.251571 0.631411 Cu\n0.865448 0.631411 0.251571 Cu\n0.865448 0.251571 0.251571 Cu\n0.631411 0.865448 0.251571 Cu\n0.631411 0.251571 0.251571 Cu\n0.251571 0.865448 0.631411 Cu\n0.251571 0.631411 0.865448 Cu\n0.251571 0.865448 0.251571 Cu\n0.631411 0.251571 0.865448 Cu\n0.865448 0.251571 0.631411 Cu\n0.251571 0.631411 0.251571 Cu\n0.698599 0.698599 0.698599 Cu\n0.698599 0.698599 0.904204 Cu\n0.698599 0.904204 0.698599 Cu\n0.904204 0.698599 0.698599 Cu\n0.504789 0.504789 0.723980 Cu\n0.504789 0.504789 0.266441 Cu\n0.723980 0.266441 0.504789 Cu\n0.723980 0.504789 0.504789 Cu\n0.266441 0.723980 0.504789 Cu\n0.266441 0.504789 0.504789 Cu\n0.504789 0.723980 0.266441 Cu\n0.504789 0.266441 0.723980 Cu\n0.504789 0.723980 0.504789 Cu\n0.266441 0.504789 0.723980 Cu\n0.723980 0.504789 0.266441 Cu\n0.504789 0.266441 0.504789 Cu\n0.751276 0.751276 0.436033 Sb\n0.751276 0.751276 0.061415 Sb\n0.436033 0.061415 0.751276 Sb\n0.436033 0.751276 0.751276 Sb\n0.061415 0.436033 0.751276 Sb\n0.061415 0.751276 0.751276 Sb\n0.751276 0.436033 0.061415 Sb\n0.751276 0.061415 0.436033 Sb\n0.751276 0.436033 0.751276 Sb\n0.061415 0.751276 0.436033 Sb\n0.436033 0.751276 0.061415 Sb\n0.751276 0.061415 0.751276 Sb\n0.353368 0.353368 0.353368 Sb\n0.353368 0.353368 0.939896 Sb\n0.353368 0.939896 0.353368 Sb\n0.939896 0.353368 0.353368 Sb\n0.500000 0.500000 0.500000 Sb\n0.147919 0.147919 0.147919 Sb\n0.147919 0.147919 0.556244 Sb\n0.147919 0.556244 0.147919 Sb\n0.556244 0.147919 0.147919 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Tb",
"density": 8.467872562024887,
"density_atomic": 0.056164205305305845,
"volume": 1210.7355499887403,
"volume_molar": 10.722382213482664,
"formula_full": "Tb6 Cu40 Sb22",
"formula_reduced": "Tb3Cu20Sb11",
"formula_anonymous": "A3B11C20",
"energy": -298.78017371,
"energy_per_atom": -4.393826083970588,
"energy_above_hull": null,
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"energy_uncorrected": -294.55617371,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:49.172000Z",
"spacegroup": 216
},
{
"id": "mp-1205248",
"created_at": "2022-09-04T14:48:19.897369Z",
"structure_string": "K12 H12 Pt4 S8 Br8 O28\n1.0\n7.139833 0.000000 0.000000\n0.000000 8.866062 0.000000\n0.000000 3.672194 21.683405\nK H Pt S Br O\n12 12 4 8 8 28\ndirect\n0.594534 0.645359 0.238467 K\n0.094534 0.354641 0.261533 K\n0.405466 0.354641 0.761533 K\n0.905466 0.645359 0.738467 K\n0.631390 0.728787 0.010059 K\n0.131390 0.271213 0.489941 K\n0.368610 0.271213 0.989941 K\n0.868610 0.728787 0.510059 K\n0.103490 0.886167 0.129958 K\n0.603490 0.113833 0.370042 K\n0.896510 0.113833 0.870042 K\n0.396510 0.886167 0.629958 K\n0.533564 0.965238 0.781302 H\n0.033564 0.034762 0.718698 H\n0.466436 0.034762 0.218698 H\n0.966436 0.965238 0.281302 H\n0.249803 0.556804 0.064314 H\n0.749803 0.443196 0.435686 H\n0.750197 0.443196 0.935686 H\n0.250197 0.556804 0.564314 H\n0.393415 0.465100 0.109707 H\n0.893415 0.534900 0.390293 H\n0.606585 0.534900 0.890293 H\n0.106585 0.465100 0.609707 H\n0.273246 0.782667 0.872268 Pt\n0.773246 0.217333 0.627732 Pt\n0.726754 0.217333 0.127732 Pt\n0.226754 0.782667 0.372268 Pt\n0.426701 0.725339 0.788994 S\n0.926701 0.274661 0.711006 S\n0.573299 0.274661 0.211006 S\n0.073299 0.725339 0.288994 S\n0.416920 0.011439 0.875380 S\n0.916920 0.988561 0.624620 S\n0.583080 0.988561 0.124620 S\n0.083080 0.011439 0.375380 S\n0.113426 0.524662 0.878626 Br\n0.613426 0.475338 0.621374 Br\n0.886574 0.475338 0.121374 Br\n0.386574 0.524662 0.378626 Br\n0.099748 0.818445 0.968506 Br\n0.599748 0.181555 0.531494 Br\n0.900252 0.181555 0.031494 Br\n0.400252 0.818445 0.468506 Br\n0.281442 0.135802 0.880790 O\n0.781442 0.864198 0.619210 O\n0.718558 0.864198 0.119210 O\n0.218558 0.135802 0.380790 O\n0.529837 0.868110 0.752384 O\n0.029837 0.131890 0.747616 O\n0.470163 0.131890 0.247616 O\n0.970163 0.868110 0.252384 O\n0.303710 0.671461 0.742817 O\n0.803710 0.328539 0.757183 O\n0.696290 0.328539 0.257183 O\n0.196290 0.671461 0.242817 O\n0.575009 0.609549 0.809763 O\n0.075009 0.390451 0.690237 O\n0.424991 0.390451 0.190237 O\n0.924991 0.609549 0.309763 O\n0.528095 0.065741 0.814949 O\n0.028095 0.934259 0.685051 O\n0.471905 0.934259 0.185051 O\n0.971905 0.065741 0.314949 O\n0.556085 0.994146 0.926135 O\n0.056085 0.005854 0.573865 O\n0.443915 0.005854 0.073865 O\n0.943915 0.994146 0.426135 O\n0.376637 0.515914 0.066291 O\n0.876637 0.484086 0.433709 O\n0.623363 0.484086 0.933709 O\n0.123363 0.515914 0.566291 O\n",
"nsites": 72,
"nelements": 6,
"elements": [
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"H",
"Pt",
"S",
"Br",
"O"
],
"chemical_system": "Br-H-K-O-Pt-S",
"density": 3.151869436400998,
"density_atomic": 0.05245491614300176,
"volume": 1372.6072843909376,
"volume_molar": 11.480603159449412,
"formula_full": "K12 H12 Pt4 S8 Br8 O28",
"formula_reduced": "K3H3PtS2Br2O7",
"formula_anonymous": "AB2C2D3E3F7",
"energy": -379.97688022,
"energy_per_atom": -5.2774566697222225,
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"energy_uncorrected": -360.74088022,
"band_gap": 2.8523,
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"updated_at": "2021-11-28T01:38:46.532000Z",
"spacegroup": 14
},
{
"id": "mp-1192271",
"created_at": "2022-09-04T14:48:19.897458Z",
"structure_string": "Cs4 U2 Pd6 S12\n1.0\n0.000000 7.912054 8.504902\n4.929094 0.000000 8.504902\n4.929094 7.912054 0.000000\nCs U Pd S\n4 2 6 12\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.298737 0.701263 0.298737 Cs\n0.701263 0.298737 0.701263 Cs\n0.833019 0.833019 0.166981 U\n0.166981 0.166981 0.833019 U\n0.502682 0.178167 0.497318 Pd\n0.821833 0.497318 0.178167 Pd\n0.497318 0.821833 0.502682 Pd\n0.178167 0.502682 0.821833 Pd\n0.825901 0.174099 0.174099 Pd\n0.174099 0.825901 0.825901 Pd\n0.812583 0.983263 0.390637 S\n0.813518 0.390637 0.983263 S\n0.390637 0.813518 0.812583 S\n0.983263 0.812583 0.813518 S\n0.187417 0.016737 0.609363 S\n0.186482 0.609363 0.016737 S\n0.609363 0.186482 0.187417 S\n0.016737 0.187417 0.186482 S\n0.805087 0.603786 0.396214 S\n0.194913 0.396214 0.603786 S\n0.396214 0.194913 0.805087 S\n0.603786 0.805087 0.194913 S\n",
"nsites": 24,
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"elements": [
"Cs",
"U",
"Pd",
"S"
],
"chemical_system": "Cs-Pd-S-U",
"density": 5.083923560700218,
"density_atomic": 0.03617891924484892,
"volume": 663.3697330087346,
"volume_molar": 16.645441283759244,
"formula_full": "Cs4 U2 Pd6 S12",
"formula_reduced": "Cs2U(PdS2)3",
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