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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=14",
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"results": [
{
"id": "mp-10074",
"created_at": "2022-09-04T14:42:50.783116Z",
"structure_string": "Ge2 Se4\n1.0\n-3.035317 3.035317 4.825271\n3.035317 -3.035317 4.825271\n3.035317 3.035317 -4.825271\nGe Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.375000 0.358921 0.483921 Se\n0.641079 0.125000 0.016079 Se\n0.108921 0.625000 0.983921 Se\n0.875000 0.891079 0.516079 Se\n",
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"elements": [
"Ge",
"Se"
],
"chemical_system": "Ge-Se",
"density": 4.305992283547147,
"density_atomic": 0.03374127123346121,
"volume": 177.8237683602686,
"volume_molar": 17.847996058986197,
"formula_full": "Ge2 Se4",
"formula_reduced": "GeSe2",
"formula_anonymous": "AB2",
"energy": -26.63067358,
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"updated_at": "2021-11-28T01:35:54.254000Z",
"spacegroup": 122
},
{
"id": "mp-1234116",
"created_at": "2022-09-04T14:42:50.769055Z",
"structure_string": "K2 Mg1 Zn4 P4 H2 O16\n1.0\n-5.313700 0.066238 -1.075635\n3.076395 -8.548589 -1.122359\n0.032274 0.019588 9.612086\nK Mg Zn P H O\n2 1 4 4 2 16\ndirect\n0.405136 0.681687 0.689179 K\n0.594864 0.318313 0.310821 K\n0.500000 0.000000 0.500000 Mg\n0.216784 0.616233 0.229943 Zn\n0.783216 0.383767 0.770057 Zn\n0.689851 0.888089 0.111414 Zn\n0.310149 0.111911 0.888586 Zn\n0.086313 0.757974 0.948262 P\n0.913687 0.242026 0.051738 P\n0.842468 0.743998 0.390126 P\n0.157532 0.256002 0.609874 P\n0.969582 0.913779 0.600521 H\n0.030418 0.086221 0.399479 H\n0.976872 0.400323 0.152971 O\n0.023128 0.599677 0.847029 O\n0.291248 0.766111 0.096702 O\n0.708752 0.233889 0.903298 O\n0.752485 0.110983 0.120301 O\n0.247515 0.889017 0.879699 O\n0.826642 0.777288 0.975085 O\n0.173357 0.222712 0.024915 O\n0.570814 0.610477 0.326298 O\n0.429186 0.389523 0.673702 O\n0.872349 0.887653 0.315795 O\n0.127651 0.112347 0.684205 O\n0.074461 0.680515 0.392763 O\n0.925539 0.319485 0.607237 O\n0.851258 0.801609 0.556764 O\n0.148742 0.198391 0.443236 O\n",
"nsites": 29,
"nelements": 6,
"elements": [
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"Mg",
"Zn",
"P",
"H",
"O"
],
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"density": 2.853216641342865,
"density_atomic": 0.06679164802610581,
"volume": 434.18602260967157,
"volume_molar": 9.01630808337926,
"formula_full": "K2 Mg1 Zn4 P4 H2 O16",
"formula_reduced": "K2MgZn4P4(HO8)2",
"formula_anonymous": "AB2C2D4E4F16",
"energy": -180.81990608,
"energy_per_atom": -6.235169175172414,
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"energy_uncorrected": -169.82790608,
"band_gap": 0.9413999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.126000Z",
"spacegroup": 2
},
{
"id": "mp-1030535",
"created_at": "2022-09-04T14:42:51.096462Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n1.645630 -2.850315 0.000000\n1.645630 2.850315 0.000000\n0.000000 0.000000 36.941627\nMo W Se S\n2 2 6 2\ndirect\n0.000000 0.000000 0.093416 Mo\n0.000000 0.000000 0.470928 Mo\n0.333333 0.666667 0.281418 W\n0.333333 0.666667 0.657156 W\n0.000000 0.000000 0.327295 Se\n0.000000 0.000000 0.703024 Se\n0.333333 0.666667 0.047764 Se\n0.333333 0.666667 0.139063 Se\n0.000000 0.000000 0.235542 Se\n0.000000 0.000000 0.611283 Se\n0.333333 0.666667 0.429410 S\n0.333333 0.666667 0.512449 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.258510814355946,
"density_atomic": 0.034626626076425186,
"volume": 346.5541220653302,
"volume_molar": 17.391647533630337,
"formula_full": "Mo2 W2 Se6 S2",
"formula_reduced": "MoWSe3S",
"formula_anonymous": "ABCD3",
"energy": -88.52502,
"energy_per_atom": -7.377085,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -84.68702,
"band_gap": 0.3088999999999999,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.294000Z",
"spacegroup": 156
},
{
"id": "mp-546551",
"created_at": "2022-09-04T14:42:51.936051Z",
"structure_string": "Na4 C1 O4\n1.0\n-2.420229 2.420229 4.444732\n2.420229 -2.420229 4.444732\n2.420229 2.420229 -4.444732\nNa C O\n4 1 4\ndirect\n0.843673 0.443816 0.000000 Na\n0.556184 0.556184 0.399857 Na\n0.156327 0.156327 0.600143 Na\n0.443816 0.843673 0.000000 Na\n0.000000 0.000000 0.000000 C\n0.073826 0.734237 0.000000 O\n0.265763 0.265763 0.339589 O\n0.926174 0.926174 0.660411 O\n0.734237 0.073826 0.000000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"C",
"O"
],
"chemical_system": "C-Na-O",
"density": 2.6782773337125985,
"density_atomic": 0.08642194122485519,
"volume": 104.14022032418285,
"volume_molar": 6.9683007285515774,
"formula_full": "Na4 C1 O4",
"formula_reduced": "Na4CO4",
"formula_anonymous": "AB4C4",
"energy": -49.68062291999999,
"energy_per_atom": -5.520069213333333,
"energy_above_hull": null,
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"energy_uncorrected": -46.93262292,
"band_gap": 3.135,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:36:04.739000Z",
"spacegroup": 121
},
{
"id": "mp-561514",
"created_at": "2022-09-04T14:42:49.565941Z",
"structure_string": "Na4 Sr4 B20 O36\n1.0\n14.104800 0.000000 0.000000\n0.000000 6.561950 0.000000\n0.000000 2.348987 7.834249\nNa Sr B O\n4 4 20 36\ndirect\n0.584094 0.534332 0.650128 Na\n0.415906 0.465668 0.349872 Na\n0.084094 0.465668 0.849872 Na\n0.915906 0.534332 0.150128 Na\n0.230041 0.897933 0.560789 Sr\n0.730041 0.102067 0.939211 Sr\n0.769959 0.102067 0.439211 Sr\n0.269959 0.897933 0.060789 Sr\n0.354481 0.442299 0.869601 B\n0.056508 0.910455 0.833826 B\n0.612497 0.841676 0.267296 B\n0.252888 0.409751 0.625548 B\n0.448888 0.785455 0.767332 B\n0.051112 0.785455 0.267332 B\n0.854481 0.557701 0.630399 B\n0.645519 0.557701 0.130399 B\n0.887503 0.841676 0.767296 B\n0.747112 0.590249 0.374452 B\n0.145519 0.442299 0.369601 B\n0.443492 0.910455 0.333826 B\n0.943492 0.089545 0.166174 B\n0.752888 0.590249 0.874452 B\n0.551112 0.214545 0.232668 B\n0.948888 0.214545 0.732668 B\n0.556508 0.089545 0.666174 B\n0.387503 0.158324 0.732704 B\n0.247112 0.409751 0.125548 B\n0.112497 0.158324 0.232704 B\n0.146107 0.838439 0.854035 O\n0.646107 0.161561 0.645965 O\n0.537642 0.868622 0.710385 O\n0.353893 0.838439 0.354035 O\n0.125212 0.920408 0.277839 O\n0.439290 0.572126 0.802931 O\n0.479240 0.226619 0.649756 O\n0.939290 0.427874 0.697069 O\n0.726606 0.486165 0.254579 O\n0.372597 0.217952 0.888371 O\n0.690757 0.753205 0.396205 O\n0.853893 0.161561 0.145965 O\n0.020760 0.226619 0.149756 O\n0.962358 0.868622 0.210385 O\n0.190757 0.246795 0.103795 O\n0.773394 0.486165 0.754579 O\n0.872597 0.782048 0.611629 O\n0.874788 0.079592 0.722161 O\n0.273394 0.513835 0.745421 O\n0.673804 0.514662 0.969767 O\n0.060710 0.572126 0.302931 O\n0.173804 0.485338 0.530233 O\n0.462358 0.131378 0.289615 O\n0.326196 0.485338 0.030233 O\n0.979240 0.773381 0.850244 O\n0.625212 0.079592 0.222161 O\n0.560710 0.427874 0.197069 O\n0.520760 0.773381 0.350244 O\n0.809243 0.753205 0.896205 O\n0.226606 0.513835 0.245421 O\n0.037642 0.131378 0.789615 O\n0.627403 0.782048 0.111629 O\n0.374788 0.920408 0.777839 O\n0.309243 0.246795 0.603795 O\n0.826196 0.514662 0.469767 O\n0.127403 0.217952 0.388371 O\n",
"nsites": 64,
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"elements": [
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"Sr",
"B",
"O"
],
"chemical_system": "B-Na-O-Sr",
"density": 2.827426558346571,
"density_atomic": 0.08826382698067894,
"volume": 725.0988563413376,
"volume_molar": 6.8228865278164905,
"formula_full": "Na4 Sr4 B20 O36",
"formula_reduced": "NaSrB5O9",
"formula_anonymous": "ABC5D9",
"energy": -512.56546754,
"energy_per_atom": -8.0088354303125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:54.666000Z",
"spacegroup": 14
},
{
"id": "mp-559420",
"created_at": "2022-09-04T14:43:19.343483Z",
"structure_string": "Sb16 Pt4 C16 O16 F88\n1.0\n10.013095 0.000000 0.000000\n0.000000 13.051790 0.000000\n0.000000 4.275289 17.782371\nSb Pt C O F\n16 4 16 16 88\ndirect\n0.254060 0.947194 0.331183 Sb\n0.258707 0.068051 0.515097 Sb\n0.754060 0.052806 0.168817 Sb\n0.745355 0.621610 0.867435 Sb\n0.758707 0.931949 0.984903 Sb\n0.740792 0.510638 0.176436 Sb\n0.759208 0.510638 0.676436 Sb\n0.741293 0.931949 0.484903 Sb\n0.254645 0.378390 0.132565 Sb\n0.241293 0.068051 0.015097 Sb\n0.245355 0.378390 0.632565 Sb\n0.245940 0.947194 0.831183 Sb\n0.240792 0.489362 0.323564 Sb\n0.745940 0.052806 0.668817 Sb\n0.259208 0.489362 0.823564 Sb\n0.754645 0.621610 0.367435 Sb\n0.741405 0.271628 0.410310 Pt\n0.241405 0.728372 0.089690 Pt\n0.758595 0.271628 0.910310 Pt\n0.258595 0.728372 0.589690 Pt\n0.408387 0.764782 0.650048 C\n0.388021 0.679893 0.522979 C\n0.622462 0.224809 0.846124 C\n0.386401 0.695679 0.025085 C\n0.122462 0.775191 0.653876 C\n0.611979 0.320107 0.477021 C\n0.113599 0.695679 0.525085 C\n0.877538 0.224809 0.346124 C\n0.591613 0.235218 0.349952 C\n0.888021 0.320107 0.977021 C\n0.377538 0.775191 0.153876 C\n0.091613 0.764782 0.150048 C\n0.908387 0.235218 0.849952 C\n0.886401 0.304321 0.474915 C\n0.613599 0.304321 0.974915 C\n0.111979 0.679893 0.022979 C\n0.033643 0.679347 0.485548 O\n0.996675 0.213282 0.818073 O\n0.040928 0.802164 0.687980 O\n0.533643 0.320653 0.014452 O\n0.466357 0.679347 0.985548 O\n0.543137 0.347974 0.517509 O\n0.956863 0.347974 0.017509 O\n0.503325 0.213282 0.318073 O\n0.043137 0.652026 0.982491 O\n0.459072 0.802164 0.187980 O\n0.496675 0.786718 0.681927 O\n0.456863 0.652026 0.482491 O\n0.003325 0.786718 0.181927 O\n0.966357 0.320653 0.514452 O\n0.959072 0.197836 0.312020 O\n0.540928 0.197836 0.812020 O\n0.879321 0.513509 0.889497 F\n0.366742 0.953809 0.034641 F\n0.620679 0.513509 0.389497 F\n0.397331 0.285127 0.167697 F\n0.732927 0.181159 0.591204 F\n0.377775 0.396763 0.371463 F\n0.441181 0.941638 0.317901 F\n0.122225 0.396763 0.871463 F\n0.897331 0.714873 0.332303 F\n0.102669 0.285127 0.667697 F\n0.251367 0.353185 0.534777 F\n0.120679 0.486491 0.110503 F\n0.748633 0.646815 0.465223 F\n0.558819 0.058362 0.682099 F\n0.261886 0.409604 0.239069 F\n0.926858 0.044911 0.640382 F\n0.738114 0.590396 0.760931 F\n0.282601 0.873978 0.754462 F\n0.073142 0.955089 0.359618 F\n0.888651 0.034087 0.938391 F\n0.109687 0.573775 0.261346 F\n0.609687 0.426225 0.238654 F\n0.279267 0.111286 0.104092 F\n0.379321 0.486491 0.610503 F\n0.388651 0.965913 0.561609 F\n0.622225 0.603237 0.628537 F\n0.879028 0.720626 0.826726 F\n0.720733 0.888714 0.895908 F\n0.803029 0.978991 0.082211 F\n0.779267 0.888714 0.395908 F\n0.380573 0.491708 0.103676 F\n0.397511 0.168271 0.482373 F\n0.369457 0.158693 0.956118 F\n0.877775 0.603237 0.128537 F\n0.130543 0.158693 0.456118 F\n0.111349 0.965913 0.061609 F\n0.245738 0.085026 0.269804 F\n0.238114 0.409604 0.739069 F\n0.129250 0.585168 0.769935 F\n0.274446 0.560341 0.902752 F\n0.696971 0.978991 0.582211 F\n0.761886 0.590396 0.260931 F\n0.196971 0.021009 0.917789 F\n0.120972 0.279374 0.173274 F\n0.725554 0.439659 0.097248 F\n0.602489 0.831729 0.517627 F\n0.745738 0.914974 0.230196 F\n0.058819 0.941638 0.817901 F\n0.426858 0.955089 0.859618 F\n0.866742 0.046191 0.465359 F\n0.119427 0.491708 0.603676 F\n0.891055 0.613875 0.637719 F\n0.869457 0.841307 0.543882 F\n0.941181 0.058362 0.182099 F\n0.108945 0.386125 0.362281 F\n0.248633 0.353185 0.034777 F\n0.611349 0.034087 0.438391 F\n0.102489 0.168271 0.982373 F\n0.774446 0.439659 0.597248 F\n0.391055 0.386125 0.862281 F\n0.303029 0.021009 0.417789 F\n0.870750 0.414832 0.230065 F\n0.220733 0.111286 0.604092 F\n0.608945 0.613875 0.137719 F\n0.717399 0.126022 0.245538 F\n0.619427 0.508292 0.896324 F\n0.751367 0.646815 0.965223 F\n0.390313 0.573775 0.761346 F\n0.890313 0.426225 0.738654 F\n0.767073 0.181159 0.091204 F\n0.629250 0.414832 0.730065 F\n0.633258 0.046191 0.965359 F\n0.254262 0.085026 0.769805 F\n0.133258 0.953809 0.534641 F\n0.573142 0.044911 0.140382 F\n0.232927 0.818841 0.908796 F\n0.630543 0.841307 0.043882 F\n0.620972 0.720626 0.326726 F\n0.379028 0.279374 0.673274 F\n0.267073 0.818841 0.408796 F\n0.217399 0.873978 0.254462 F\n0.880573 0.508292 0.396324 F\n0.782601 0.126022 0.745538 F\n0.754262 0.914974 0.730195 F\n0.225554 0.560341 0.402752 F\n0.370750 0.585168 0.269935 F\n0.897511 0.831729 0.017627 F\n0.602669 0.714873 0.832303 F\n",
"nsites": 140,
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"elements": [
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"Pt",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Pt-Sb",
"density": 3.4644152889997883,
"density_atomic": 0.060242079482349734,
"volume": 2323.956961695163,
"volume_molar": 9.996568531078715,
"formula_full": "Sb16 Pt4 C16 O16 F88",
"formula_reduced": "Sb4PtC4(O2F11)2",
"formula_anonymous": "AB4C4D4E22",
"energy": -793.31339669,
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"updated_at": "2021-11-28T01:36:11.266000Z",
"spacegroup": 14
},
{
"id": "mp-1176417",
"created_at": "2022-09-04T14:42:51.462624Z",
"structure_string": "Mn4 Te4 O12\n1.0\n5.502735 -0.000006 0.000019\n-0.000006 6.208070 -0.000002\n0.000027 -0.000003 7.879377\nMn Te O\n4 4 12\ndirect\n0.000490 0.500062 0.499929 Mn\n0.500177 0.000138 0.999634 Mn\n0.000234 0.500321 0.000276 Mn\n0.499817 0.000108 0.500347 Mn\n0.013666 0.990924 0.750005 Te\n0.486358 0.490925 0.750000 Te\n0.513719 0.508982 0.250002 Te\n0.986304 0.008981 0.250003 Te\n0.173592 0.436115 0.249994 O\n0.326307 0.936120 0.249977 O\n0.673584 0.063801 0.749976 O\n0.826318 0.563799 0.749996 O\n0.139913 0.176652 0.571536 O\n0.139878 0.176680 0.928424 O\n0.359966 0.676679 0.571542 O\n0.359963 0.676682 0.928428 O\n0.639915 0.323279 0.071516 O\n0.639882 0.323253 0.428452 O\n0.859962 0.823251 0.071515 O\n0.859956 0.823249 0.428448 O\n",
"nsites": 20,
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"volume": 269.1702663497081,
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"formula_full": "Mn4 Te4 O12",
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