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{
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"results": [
{
"id": "mp-1105353",
"created_at": "2022-09-04T14:48:19.954912Z",
"structure_string": "V2 Cd1 P2 O14\n1.0\n6.344736 -0.000415 0.221164\n-0.053559 6.119546 1.501534\n-0.031516 -0.518523 7.052175\nV Cd P O\n2 1 2 14\ndirect\n0.009898 0.104864 0.618221 V\n0.519707 0.648119 0.431523 V\n0.266719 0.912384 0.051014 Cd\n0.015026 0.627716 0.528148 P\n0.509471 0.122834 0.523504 P\n0.045077 0.145471 0.386987 O\n0.025936 0.791934 0.668322 O\n0.206236 0.653346 0.383600 O\n0.320873 0.095474 0.669766 O\n0.492436 0.966748 0.375253 O\n0.494992 0.628265 0.660506 O\n0.516601 0.352783 0.406703 O\n0.710822 0.078695 0.641742 O\n0.816859 0.666834 0.402427 O\n0.006550 0.401010 0.654016 O\n0.005245 0.066121 0.924604 O\n0.439295 0.497609 0.039700 O\n0.525415 0.708377 0.116985 O\n0.583882 0.373426 0.009110 O\n",
"nsites": 19,
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"elements": [
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"P",
"O"
],
"chemical_system": "Cd-O-P-V",
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"formula_full": "V2 Cd1 P2 O14",
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"energy": -128.20251151,
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"updated_at": "2021-11-28T01:38:57.320000Z",
"spacegroup": 1
},
{
"id": "mp-1232180",
"created_at": "2022-09-04T14:48:20.065007Z",
"structure_string": "Ho8 Mg4 Se16\n1.0\n7.450620 0.000000 0.000000\n-0.001497 8.636500 0.000000\n-1.300937 -2.194456 13.581610\nHo Mg Se\n8 4 16\ndirect\n0.863898 0.300165 0.699256 Ho\n0.136102 0.699835 0.300744 Ho\n0.758948 0.126029 0.000622 Ho\n0.241052 0.873971 0.999378 Ho\n0.631463 0.444296 0.299408 Ho\n0.368537 0.555704 0.700592 Ho\n0.632095 0.955739 0.302449 Ho\n0.367905 0.044261 0.697551 Ho\n0.867107 0.800711 0.702690 Mg\n0.132893 0.199289 0.297310 Mg\n0.751114 0.623416 0.997131 Mg\n0.248886 0.376584 0.002869 Mg\n0.904988 0.354379 0.897114 Se\n0.095012 0.645621 0.102886 Se\n0.893043 0.844275 0.891612 Se\n0.106957 0.155725 0.108388 Se\n0.827310 0.219197 0.374520 Se\n0.172690 0.780803 0.625480 Se\n0.810413 0.718967 0.377228 Se\n0.189587 0.281033 0.622772 Se\n0.694739 0.021545 0.626031 Se\n0.305261 0.978455 0.373969 Se\n0.693642 0.541320 0.626834 Se\n0.306358 0.458680 0.373166 Se\n0.604451 0.896696 0.103968 Se\n0.395549 0.103304 0.896032 Se\n0.596523 0.406092 0.101737 Se\n0.403477 0.593908 0.898263 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Se"
],
"chemical_system": "Ho-Mg-Se",
"density": 5.092207599429064,
"density_atomic": 0.03203882532608341,
"volume": 873.9396564956043,
"volume_molar": 18.79638438272349,
"formula_full": "Ho8 Mg4 Se16",
"formula_reduced": "Ho2MgSe4",
"formula_anonymous": "AB2C4",
"energy": -148.6476887,
"energy_per_atom": -5.308846025,
"energy_above_hull": null,
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"band_gap": 2.2309,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.334000Z",
"spacegroup": 2
},
{
"id": "mp-2917",
"created_at": "2022-09-04T14:48:19.853817Z",
"structure_string": "Dy1 Cu2 Si2\n1.0\n-1.988858 1.988858 4.983084\n1.988858 -1.988858 4.983084\n1.988858 1.988858 -4.983084\nDy Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.618125 0.618125 0.000000 Si\n0.381875 0.381875 0.000000 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Si"
],
"chemical_system": "Cu-Dy-Si",
"density": 7.28218759514683,
"density_atomic": 0.06341678946829944,
"volume": 78.84347413234129,
"volume_molar": 9.496129984647562,
"formula_full": "Dy1 Cu2 Si2",
"formula_reduced": "Dy(CuSi)2",
"formula_anonymous": "AB2C2",
"energy": -26.49204789,
"energy_per_atom": -5.298409577999999,
"energy_above_hull": null,
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"total_magnetization": 7.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:47.372000Z",
"spacegroup": 139
},
{
"id": "mp-1113311",
"created_at": "2022-09-04T14:48:19.864215Z",
"structure_string": "Na3 Au1 Cl6\n1.0\n0.000000 5.177767 5.177767\n5.177767 0.000000 5.177767\n5.177767 5.177767 0.000000\nNa Au Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.758863 0.241137 0.241137 Cl\n0.241137 0.241137 0.758863 Cl\n0.241137 0.758863 0.758863 Cl\n0.241137 0.758863 0.241137 Cl\n0.758863 0.241137 0.758863 Cl\n0.758863 0.758863 0.241137 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Na",
"density": 2.8629461075010556,
"density_atomic": 0.03601989932150236,
"volume": 277.6243184563934,
"volume_molar": 16.71892724143467,
"formula_full": "Na3 Au1 Cl6",
"formula_reduced": "Na3AuCl6",
"formula_anonymous": "AB3C6",
"energy": -31.60861053,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:56.336000Z",
"spacegroup": 225
},
{
"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,
"nelements": 2,
"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,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -13.78139885,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044298,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:56.010000Z",
"spacegroup": 191
},
{
"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-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,
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"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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"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,
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"band_gap": 2.8523,
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"updated_at": "2021-11-28T01:38:46.532000Z",
"spacegroup": 14
},
{
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{
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{
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"structure_string": "Sr2 Sn4 H20 Cl12 O10\n1.0\n6.005634 7.611008 0.000000\n-6.005634 7.611008 0.000000\n0.000000 4.128231 8.327616\nSr Sn H Cl O\n2 4 20 12 10\ndirect\n0.991548 0.008452 0.250000 Sr\n0.008452 0.991548 0.750000 Sr\n0.474307 0.260408 0.979047 Sn\n0.739592 0.525693 0.520953 Sn\n0.525693 0.739592 0.020953 Sn\n0.260408 0.474307 0.479047 Sn\n0.077599 0.341618 0.095655 H\n0.658382 0.922401 0.404345 H\n0.922401 0.658382 0.904345 H\n0.341618 0.077599 0.595655 H\n0.066065 0.297220 0.277036 H\n0.702780 0.933935 0.222964 H\n0.933935 0.702780 0.722964 H\n0.297220 0.066065 0.777036 H\n0.230598 0.886475 0.453560 H\n0.113525 0.769402 0.046440 H\n0.769402 0.113525 0.546440 H\n0.886475 0.230598 0.953560 H\n0.246867 0.053400 0.379990 H\n0.946600 0.753133 0.120010 H\n0.753133 0.946600 0.620010 H\n0.053400 0.246867 0.879990 H\n0.784716 0.324194 0.238019 H\n0.675806 0.215284 0.261981 H\n0.215284 0.675806 0.761981 H\n0.324194 0.784716 0.738019 H\n0.446007 0.174980 0.293001 Cl\n0.825020 0.553993 0.206999 Cl\n0.553993 0.825020 0.706999 Cl\n0.174980 0.446007 0.793001 Cl\n0.689084 0.419673 0.902426 Cl\n0.580327 0.310916 0.597574 Cl\n0.310916 0.580327 0.097574 Cl\n0.419673 0.689084 0.402426 Cl\n0.685244 0.026019 0.969253 Cl\n0.973981 0.314756 0.530747 Cl\n0.314756 0.973981 0.030747 Cl\n0.026019 0.685244 0.469253 Cl\n0.094183 0.256727 0.186041 O\n0.743273 0.905817 0.313959 O\n0.905817 0.743273 0.813959 O\n0.256727 0.094183 0.686041 O\n0.170631 0.984615 0.436410 O\n0.015385 0.829369 0.063590 O\n0.829369 0.015385 0.563590 O\n0.984615 0.170631 0.936410 O\n0.779393 0.220607 0.250000 O\n0.220607 0.779393 0.750000 O\n",
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{
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]
}