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{
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"results": [
{
"id": "mp-1195805",
"created_at": "2022-09-04T14:46:56.874782Z",
"structure_string": "Ga41 Mo8\n1.0\n6.496287 -7.074050 0.000000\n6.496287 7.074050 0.000000\n-1.206912 0.000000 9.528237\nGa Mo\n41 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.265869 0.634177 0.611141 Ga\n0.611141 0.265869 0.634177 Ga\n0.634177 0.611141 0.265869 Ga\n0.734131 0.365823 0.388859 Ga\n0.388859 0.734131 0.365823 Ga\n0.365823 0.388859 0.734131 Ga\n0.675226 0.778550 0.538743 Ga\n0.538743 0.675226 0.778550 Ga\n0.778550 0.538743 0.675226 Ga\n0.324774 0.221450 0.461257 Ga\n0.461257 0.324774 0.221450 Ga\n0.221450 0.461257 0.324774 Ga\n0.778064 0.074541 0.449247 Ga\n0.449247 0.778064 0.074541 Ga\n0.074541 0.449247 0.778064 Ga\n0.221936 0.925459 0.550753 Ga\n0.550753 0.221936 0.925459 Ga\n0.925459 0.550753 0.221936 Ga\n0.968668 0.786547 0.598910 Ga\n0.598910 0.968668 0.786547 Ga\n0.786547 0.598910 0.968668 Ga\n0.031332 0.213453 0.401090 Ga\n0.401090 0.031332 0.213453 Ga\n0.213453 0.401090 0.031332 Ga\n0.057068 0.739056 0.873813 Ga\n0.873813 0.057068 0.739056 Ga\n0.739056 0.873813 0.057068 Ga\n0.942932 0.260944 0.126187 Ga\n0.126187 0.942932 0.260944 Ga\n0.260944 0.126187 0.942932 Ga\n0.124417 0.176145 0.679311 Ga\n0.679311 0.124417 0.176145 Ga\n0.176145 0.679311 0.124417 Ga\n0.875583 0.823855 0.320689 Ga\n0.320689 0.875583 0.823855 Ga\n0.823855 0.320689 0.875583 Ga\n0.801685 0.801685 0.801685 Mo\n0.198315 0.198315 0.198315 Mo\n0.292500 0.612455 0.887449 Mo\n0.887449 0.292500 0.612455 Mo\n0.612455 0.887449 0.292500 Mo\n0.707500 0.387545 0.112551 Mo\n0.112551 0.707500 0.387545 Mo\n0.387545 0.112551 0.707500 Mo\n",
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"formula_full": "Ga41 Mo8",
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"spacegroup": 148
},
{
"id": "mp-1219241",
"created_at": "2022-09-04T14:46:57.535943Z",
"structure_string": "Si2 Ir3\n1.0\n2.017557 -3.494511 0.000000\n2.017557 3.494511 0.000000\n0.000000 0.000000 5.446554\nSi Ir\n2 3\ndirect\n0.666667 0.333333 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.266821 Ir\n0.333333 0.666667 0.733179 Ir\n",
"nsites": 5,
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"elements": [
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"density": 13.6825370185995,
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"formula_full": "Si2 Ir3",
"formula_reduced": "Si2Ir3",
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"spacegroup": 187
},
{
"id": "mp-1080630",
"created_at": "2022-09-04T14:47:00.329475Z",
"structure_string": "Ce16 Se32\n1.0\n-9.344283 9.344283 4.398653\n9.344283 -9.344283 4.398653\n9.344283 9.344283 -4.398653\nCe Se\n16 32\ndirect\n0.505970 0.505421 0.752473 Ce\n0.752948 0.753497 0.247527 Ce\n0.003497 0.255970 0.500549 Ce\n0.755421 0.502948 0.499451 Ce\n0.744030 0.244579 0.747527 Ce\n0.497052 0.996503 0.252473 Ce\n0.246503 0.494030 0.999451 Ce\n0.494579 0.247052 0.000549 Ce\n0.995996 0.998148 0.747292 Ce\n0.250856 0.248704 0.252708 Ce\n0.498704 0.745996 0.497848 Ce\n0.248148 0.000856 0.502152 Ce\n0.254004 0.751852 0.752708 Ce\n0.999144 0.501296 0.247292 Ce\n0.751296 0.004004 0.002152 Ce\n0.001852 0.749144 0.997848 Ce\n0.149043 0.999466 0.904194 Se\n0.095272 0.244849 0.095806 Se\n0.494849 0.899043 0.649577 Se\n0.249466 0.845272 0.350423 Se\n0.100957 0.750534 0.595806 Se\n0.154728 0.505151 0.404194 Se\n0.755151 0.850957 0.850423 Se\n0.000534 0.904728 0.149577 Se\n0.653926 0.498498 0.903404 Se\n0.595094 0.750522 0.096596 Se\n0.000522 0.403926 0.655428 Se\n0.748498 0.345094 0.344572 Se\n0.596074 0.251502 0.596596 Se\n0.654906 0.999478 0.403404 Se\n0.249478 0.346074 0.844572 Se\n0.501502 0.404906 0.155428 Se\n0.846196 0.003027 0.596199 Se\n0.406829 0.249997 0.403801 Se\n0.499997 0.596196 0.343169 Se\n0.253027 0.156829 0.656831 Se\n0.403804 0.746973 0.903801 Se\n0.843171 0.500003 0.096199 Se\n0.750003 0.153804 0.156831 Se\n0.996973 0.593171 0.843169 Se\n0.348306 0.496804 0.593521 Se\n0.903283 0.754785 0.406479 Se\n0.004785 0.098306 0.351502 Se\n0.746804 0.653283 0.648498 Se\n0.901694 0.253196 0.906479 Se\n0.346717 0.995215 0.093521 Se\n0.245215 0.651694 0.148498 Se\n0.503196 0.096717 0.851502 Se\n",
"nsites": 48,
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"elements": [
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],
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"volume": 1536.2845396136302,
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"formula_full": "Ce16 Se32",
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"spacegroup": 88
},
{
"id": "mp-1423059",
"created_at": "2022-09-04T14:46:56.068508Z",
"structure_string": "Sb2 N2\n1.0\n3.322500 0.000000 0.000000\n-0.014811 3.910106 0.000000\n-0.162381 -0.137182 5.987793\nSb N\n2 2\ndirect\n0.638368 0.795770 0.955606 Sb\n0.118244 0.279281 0.541703 Sb\n0.621125 0.970441 0.625199 N\n0.132967 0.480926 0.872192 N\n",
"nsites": 4,
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"density": 5.796316030552932,
"density_atomic": 0.05142090223522714,
"volume": 77.7893779790527,
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"formula_full": "Sb2 N2",
"formula_reduced": "SbN",
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},
{
"id": "mp-542220",
"created_at": "2022-09-04T14:46:51.911793Z",
"structure_string": "Cs18 As6\n1.0\n5.521466 -9.563460 0.000000\n5.521466 9.563460 0.000000\n0.000000 0.000000 11.430348\nCs As\n18 6\ndirect\n0.630773 0.000000 0.511373 Cs\n0.630773 0.630773 0.011373 Cs\n0.000000 0.369227 0.011373 Cs\n0.000000 0.630773 0.511373 Cs\n0.369227 0.369227 0.511373 Cs\n0.369227 0.000000 0.011373 Cs\n0.707315 0.000000 0.177739 Cs\n0.707315 0.707315 0.677739 Cs\n0.000000 0.292685 0.677739 Cs\n0.000000 0.707315 0.177739 Cs\n0.292685 0.292685 0.177739 Cs\n0.292685 0.000000 0.677739 Cs\n0.000000 0.000000 0.417629 Cs\n0.000000 0.000000 0.917629 Cs\n0.666667 0.333333 0.297972 Cs\n0.333333 0.666667 0.797972 Cs\n0.666667 0.333333 0.797972 Cs\n0.333333 0.666667 0.297972 Cs\n0.000000 0.328069 0.344363 As\n0.671931 0.000000 0.844363 As\n0.328069 0.328069 0.844363 As\n0.671931 0.671931 0.344363 As\n0.328069 0.000000 0.344363 As\n0.000000 0.671931 0.844363 As\n",
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"density": 3.909200533654454,
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"volume": 1207.1434894579354,
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"formula_full": "Cs18 As6",
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},
{
"id": "mp-1184203",
"created_at": "2022-09-04T14:46:52.426766Z",
"structure_string": "Eu6 Sb2\n1.0\n3.617472 -6.265646 0.000000\n3.617472 6.265646 0.000000\n0.000000 0.000000 5.776529\nEu Sb\n6 2\ndirect\n0.175053 0.350106 0.250000 Eu\n0.649894 0.824947 0.250000 Eu\n0.175053 0.824947 0.250000 Eu\n0.824947 0.649894 0.750000 Eu\n0.350106 0.175053 0.750000 Eu\n0.824947 0.175053 0.750000 Eu\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
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{
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"created_at": "2022-09-04T14:46:56.020005Z",
"structure_string": "Se8 O20\n1.0\n7.110058 0.000000 0.000000\n0.000000 4.856602 0.000000\n0.000000 0.275430 14.016645\nSe O\n8 20\ndirect\n0.759151 0.631608 0.640420 Se\n0.259151 0.368392 0.859580 Se\n0.240849 0.368392 0.359580 Se\n0.740849 0.631608 0.140420 Se\n0.713593 0.501446 0.870796 Se\n0.213593 0.498554 0.629204 Se\n0.286407 0.498554 0.129204 Se\n0.786407 0.501446 0.370796 Se\n0.749057 0.299444 0.638610 O\n0.249057 0.700556 0.861390 O\n0.250943 0.700556 0.361390 O\n0.750943 0.299444 0.138610 O\n0.717986 0.729802 0.771760 O\n0.217986 0.270198 0.728240 O\n0.282014 0.270198 0.228240 O\n0.782014 0.729802 0.271760 O\n0.829569 0.698933 0.461487 O\n0.329569 0.301067 0.038513 O\n0.170431 0.301067 0.538513 O\n0.670431 0.698933 0.961487 O\n0.602045 0.300459 0.374131 O\n0.102045 0.699541 0.125869 O\n0.397955 0.699541 0.625869 O\n0.897955 0.300459 0.874131 O\n0.975747 0.280487 0.347052 O\n0.475747 0.719513 0.152948 O\n0.024253 0.719513 0.652948 O\n0.524253 0.280487 0.847052 O\n",
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"formula_full": "Se8 O20",
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{
"id": "mp-1187307",
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"structure_string": "Tb3 V1\n1.0\n0.000000 3.803924 3.803924\n3.803924 0.000000 3.803924\n3.803924 3.803924 0.000000\nTb V\n3 1\ndirect\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.750000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 V\n",
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{
"id": "mp-685043",
"created_at": "2022-09-04T14:46:58.081519Z",
"structure_string": "B18 Br18\n1.0\n9.944692 0.000000 0.000000\n0.744643 9.989999 0.000000\n0.607678 0.431889 10.063842\nB Br\n18 18\ndirect\n0.871244 0.734610 0.741628 B\n0.799760 0.789411 0.591537 B\n0.790489 0.590615 0.798792 B\n0.740168 0.871444 0.736254 B\n0.733603 0.743053 0.869473 B\n0.760673 0.623420 0.630362 B\n0.622806 0.632702 0.759238 B\n0.628819 0.760681 0.624491 B\n0.586887 0.803226 0.789650 B\n0.407283 0.202249 0.210487 B\n0.367957 0.239848 0.376408 B\n0.368454 0.371177 0.242197 B\n0.237931 0.376928 0.376840 B\n0.257837 0.129933 0.265663 B\n0.259650 0.262533 0.134134 B\n0.197402 0.411037 0.211015 B\n0.196877 0.210543 0.411654 B\n0.122811 0.261194 0.261358 B\n0.882281 0.863060 0.433578 Br\n0.935691 0.237064 0.235776 Br\n0.865262 0.430898 0.881395 Br\n0.794594 0.486260 0.503444 Br\n0.764614 0.058366 0.755638 Br\n0.749676 0.768350 0.055830 Br\n0.569707 0.119023 0.133982 Br\n0.501852 0.795033 0.489034 Br\n0.486492 0.507773 0.794792 Br\n0.500541 0.500709 0.202680 Br\n0.497797 0.204675 0.510132 Br\n0.425701 0.888391 0.863894 Br\n0.241550 0.244378 0.946158 Br\n0.236793 0.941894 0.244318 Br\n0.207253 0.510845 0.507487 Br\n0.059316 0.752550 0.768574 Br\n0.115013 0.136012 0.569741 Br\n0.116016 0.570816 0.134566 Br\n",
"nsites": 36,
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{
"id": "mp-1068446",
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"structure_string": "Sc1 Au4\n1.0\n-3.332762 3.332762 2.050032\n3.332762 -3.332762 2.050032\n3.332762 3.332762 -2.050032\nSc Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.601246 0.797219 0.398464 Au\n0.398754 0.202781 0.601536 Au\n0.202781 0.601246 0.804027 Au\n0.797219 0.398754 0.195973 Au\n",
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{
"id": "mp-1204171",
"created_at": "2022-09-04T14:46:54.211623Z",
"structure_string": "Tb16 N24\n1.0\n-5.516398 5.516398 5.516398\n5.516398 -5.516398 5.516398\n5.516398 5.516398 -5.516398\nTb N\n16 24\ndirect\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.780007 0.250000 0.030007 Tb\n0.719993 0.750000 0.469993 Tb\n0.250000 0.030007 0.780007 Tb\n0.750000 0.469993 0.719993 Tb\n0.030007 0.780007 0.250000 Tb\n0.469993 0.719993 0.750000 Tb\n0.219993 0.750000 0.969993 Tb\n0.280007 0.250000 0.530007 Tb\n0.750000 0.969993 0.219993 Tb\n0.250000 0.530007 0.280007 Tb\n0.969993 0.219993 0.750000 Tb\n0.530007 0.280007 0.250000 Tb\n0.489941 0.230156 0.463006 N\n0.232850 0.269844 0.759785 N\n0.010059 0.473065 0.740215 N\n0.267150 0.026935 0.036994 N\n0.230156 0.463006 0.489941 N\n0.269844 0.759785 0.232850 N\n0.473065 0.740215 0.010059 N\n0.026935 0.036994 0.267150 N\n0.463006 0.489941 0.230156 N\n0.759785 0.232850 0.269844 N\n0.740215 0.010059 0.473065 N\n0.036994 0.267150 0.026935 N\n0.510059 0.769844 0.536994 N\n0.767150 0.730156 0.240215 N\n0.989941 0.526935 0.259785 N\n0.732850 0.973065 0.963006 N\n0.769844 0.536994 0.510059 N\n0.730156 0.240215 0.767150 N\n0.526935 0.259785 0.989941 N\n0.973065 0.963006 0.732850 N\n0.536994 0.510059 0.769844 N\n0.240215 0.767150 0.730156 N\n0.259785 0.989941 0.526935 N\n0.963006 0.732850 0.973065 N\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Tb",
"N"
],
"chemical_system": "N-Tb",
"density": 7.119654607644628,
"density_atomic": 0.059570771266570385,
"volume": 671.4702386679857,
"volume_molar": 10.109220733523511,
"formula_full": "Tb16 N24",
"formula_reduced": "Tb2N3",
"formula_anonymous": "A2B3",
"energy": -301.55414707,
"energy_per_atom": -7.53885367675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -292.89014707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0000557,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.575000Z",
"spacegroup": 206
},
{
"id": "mp-1184501",
"created_at": "2022-09-04T14:46:54.206199Z",
"structure_string": "Gd2 Bi6\n1.0\n3.413755 -5.912797 0.000000\n3.413755 5.912797 0.000000\n0.000000 0.000000 6.101453\nGd Bi\n2 6\ndirect\n0.333333 0.666667 0.750000 Gd\n0.666667 0.333333 0.250000 Gd\n0.171577 0.343155 0.250000 Bi\n0.656845 0.828423 0.250000 Bi\n0.171577 0.828423 0.250000 Bi\n0.828423 0.656845 0.750000 Bi\n0.343155 0.171577 0.750000 Bi\n0.828423 0.171577 0.750000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Gd",
"Bi"
],
"chemical_system": "Bi-Gd",
"density": 10.573346714074418,
"density_atomic": 0.03247890679642621,
"volume": 246.31370908334492,
"volume_molar": 18.54169784021992,
"formula_full": "Gd2 Bi6",
"formula_reduced": "GdBi3",
"formula_anonymous": "AB3",
"energy": -54.64211658,
"energy_per_atom": -6.8302645725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.64211658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9312344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.369000Z",
"spacegroup": 194
}
]
}