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{
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"results": [
{
"id": "mp-1220162",
"created_at": "2022-09-04T14:41:12.305033Z",
"structure_string": "Nd1 Fe1 Si2 Os1\n1.0\n-2.050407 2.050407 4.946085\n2.050407 -2.050407 4.946085\n2.050407 2.050407 -4.946085\nNd Fe Si Os\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500000 Fe\n0.633672 0.633672 0.000000 Si\n0.366328 0.366328 0.000000 Si\n0.750000 0.250000 0.500000 Os\n",
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},
{
"id": "mp-1225894",
"created_at": "2022-09-04T14:41:11.917894Z",
"structure_string": "Cs1 Li1 Mn1 S2\n1.0\n-2.081862 2.081862 7.066545\n2.081862 -2.081862 7.066545\n2.081862 2.081862 -7.066545\nCs Li Mn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Mn\n0.658842 0.658842 0.000000 S\n0.341158 0.341158 0.000000 S\n",
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"elements": [
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"volume": 122.50984672107538,
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"formula_full": "Cs1 Li1 Mn1 S2",
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"updated_at": "2021-11-28T01:35:16.854000Z",
"spacegroup": 119
},
{
"id": "mp-1206141",
"created_at": "2022-09-04T14:41:09.111950Z",
"structure_string": "Dy2 Re4 Si2 C2\n1.0\n1.972914 -5.451523 0.000000\n1.972914 5.451523 0.000000\n0.000000 0.000000 7.302603\nDy Re Si C\n2 4 2 2\ndirect\n0.543691 0.456309 0.250000 Dy\n0.456309 0.543691 0.750000 Dy\n0.826196 0.173804 0.060829 Re\n0.173804 0.826196 0.939171 Re\n0.173804 0.826196 0.560829 Re\n0.826196 0.173804 0.439171 Re\n0.265389 0.734611 0.250000 Si\n0.734611 0.265389 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Re",
"Si",
"C"
],
"chemical_system": "C-Dy-Re-Si",
"density": 12.156847017293261,
"density_atomic": 0.06365995243321429,
"volume": 157.0846288408872,
"volume_molar": 9.459857461121786,
"formula_full": "Dy2 Re4 Si2 C2",
"formula_reduced": "DyRe2SiC",
"formula_anonymous": "ABCD2",
"energy": -92.94758189,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.107000Z",
"spacegroup": 63
},
{
"id": "mp-722050",
"created_at": "2022-09-04T14:41:10.472106Z",
"structure_string": "C4 Br2 N2 O2\n1.0\n4.517089 0.000000 0.000000\n-0.938040 6.235416 0.000000\n-1.203883 -3.291027 7.855237\nC Br N O\n4 2 2 2\ndirect\n0.827053 0.987804 0.689717 C\n0.172947 0.012196 0.310283 C\n0.646341 0.702019 0.773883 C\n0.353659 0.297981 0.226117 C\n0.773148 0.182409 0.749553 Br\n0.226852 0.817591 0.250447 Br\n0.501068 0.472577 0.841714 N\n0.498932 0.527423 0.158286 N\n0.988457 0.086882 0.596130 O\n0.011543 0.913118 0.403870 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"C",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-N-O",
"density": 2.010381378000358,
"density_atomic": 0.04519773034642625,
"volume": 221.25004780888722,
"volume_molar": 13.323989310618485,
"formula_full": "C4 Br2 N2 O2",
"formula_reduced": "C2BrNO",
"formula_anonymous": "ABCD2",
"energy": -12.02487455,
"energy_per_atom": -1.202487455,
"energy_above_hull": null,
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"energy_uncorrected": -8.86087455,
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"updated_at": "2021-11-28T01:35:17.682000Z",
"spacegroup": 2
},
{
"id": "mp-23138",
"created_at": "2022-09-04T14:41:54.260148Z",
"structure_string": "Sb2 Pb2 Cl2 O4\n1.0\n2.837509 -6.287420 0.000000\n2.837509 6.287420 0.000000\n0.000000 0.000000 5.505813\nSb Pb Cl O\n2 2 2 4\ndirect\n0.077984 0.922016 0.250000 Sb\n0.922016 0.077984 0.750000 Sb\n0.381326 0.618674 0.250000 Pb\n0.618674 0.381326 0.750000 Pb\n0.252995 0.747005 0.750000 Cl\n0.747005 0.252995 0.250000 Cl\n0.227656 0.227656 0.500000 O\n0.772344 0.772344 0.000000 O\n0.772344 0.772344 0.500000 O\n0.227656 0.227656 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-Sb",
"density": 6.701383844347716,
"density_atomic": 0.050902466590800624,
"volume": 196.45413414616837,
"volume_molar": 11.830744487121482,
"formula_full": "Sb2 Pb2 Cl2 O4",
"formula_reduced": "SbPbClO2",
"formula_anonymous": "ABCD2",
"energy": -56.28151793,
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"energy_uncorrected": -52.30551793,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.437000Z",
"spacegroup": 63
},
{
"id": "mp-849636",
"created_at": "2022-09-04T14:41:57.616888Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.095767 4.014918 0.000000\n-4.095767 4.014918 0.000000\n0.000000 0.010062 8.175969\nSr Ta N O\n4 4 4 8\ndirect\n0.001516 0.998484 0.500000 Sr\n0.509564 0.490436 0.500000 Sr\n0.499663 0.500337 0.000000 Sr\n0.993828 0.006172 0.000000 Sr\n0.489362 0.006000 0.243132 Ta\n0.507566 0.990147 0.755224 Ta\n0.994000 0.510638 0.756868 Ta\n0.009853 0.492434 0.244776 Ta\n0.770320 0.770966 0.745870 N\n0.476845 0.974845 0.000187 N\n0.025155 0.523155 0.999813 N\n0.229034 0.229680 0.254130 N\n0.776738 0.777330 0.258991 O\n0.969740 0.474607 0.499624 O\n0.272772 0.724551 0.717334 O\n0.726623 0.276093 0.231518 O\n0.275449 0.727228 0.282666 O\n0.723907 0.273377 0.768482 O\n0.525393 0.030260 0.500376 O\n0.222670 0.223262 0.741009 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.770516795279141,
"density_atomic": 0.07437874421428554,
"volume": 268.8940262607809,
"volume_molar": 8.096588378327795,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy": -182.04559562,
"energy_per_atom": -9.102279781,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.717000Z",
"spacegroup": 5
},
{
"id": "mp-1222890",
"created_at": "2022-09-04T14:41:56.521553Z",
"structure_string": "La1 Fe1 Si2 Rh1\n1.0\n-2.057491 2.057491 5.064386\n2.057491 -2.057491 5.064386\n2.057491 2.057491 -5.064386\nLa Fe Si Rh\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Fe\n0.634689 0.634689 0.000000 Si\n0.365311 0.365311 0.000000 Si\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 5,
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"elements": [
"La",
"Fe",
"Si",
"Rh"
],
"chemical_system": "Fe-La-Rh-Si",
"density": 6.8513688941636,
"density_atomic": 0.05830520479204465,
"volume": 85.75563738834883,
"volume_molar": 10.32865038632311,
"formula_full": "La1 Fe1 Si2 Rh1",
"formula_reduced": "LaFeSi2Rh",
"formula_anonymous": "ABCD2",
"energy": -35.66713239,
"energy_per_atom": -7.133426478,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:40.688000Z",
"spacegroup": 119
},
{
"id": "mp-1225199",
"created_at": "2022-09-04T14:41:25.550472Z",
"structure_string": "Eu1 Ta1 N1 O2\n1.0\n4.034640 0.000000 0.000000\n0.000000 4.034640 0.000000\n0.000000 0.000000 4.109397\nEu Ta N O\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Ta\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
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"N",
"O"
],
"chemical_system": "Eu-N-O-Ta",
"density": 9.406020998003008,
"density_atomic": 0.07474503077829905,
"volume": 66.89407908373843,
"volume_molar": 8.056911205056894,
"formula_full": "Eu1 Ta1 N1 O2",
"formula_reduced": "EuTaNO2",
"formula_anonymous": "ABCD2",
"energy": -53.74960086,
"energy_per_atom": -10.749920172,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:18.771000Z",
"spacegroup": 123
},
{
"id": "mp-1205583",
"created_at": "2022-09-04T14:41:17.981490Z",
"structure_string": "U2 Mn4 Si2 C2\n1.0\n1.865042 -5.312493 0.000000\n1.865042 5.312493 0.000000\n0.000000 0.000000 6.663616\nU Mn Si C\n2 4 2 2\ndirect\n0.554577 0.445423 0.250000 U\n0.445423 0.554577 0.750000 U\n0.832835 0.167165 0.061446 Mn\n0.167165 0.832835 0.938554 Mn\n0.167165 0.832835 0.561446 Mn\n0.832835 0.167165 0.438554 Mn\n0.273470 0.726530 0.250000 Si\n0.726530 0.273470 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Mn",
"Si",
"C"
],
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"density": 9.758548316147376,
"density_atomic": 0.07573088896813879,
"volume": 132.04651544770803,
"volume_molar": 7.952027028936121,
"formula_full": "U2 Mn4 Si2 C2",
"formula_reduced": "UMn2SiC",
"formula_anonymous": "ABCD2",
"energy": -91.66553333,
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"updated_at": "2021-11-28T01:35:16.663000Z",
"spacegroup": 63
},
{
"id": "mp-1206657",
"created_at": "2022-09-04T14:41:17.511074Z",
"structure_string": "Nd2 P2 Os4 C2\n1.0\n1.972089 -5.534794 0.000000\n1.972089 5.534794 0.000000\n0.000000 0.000000 7.121230\nNd P Os C\n2 2 4 2\ndirect\n0.545701 0.454299 0.250000 Nd\n0.454299 0.545701 0.750000 Nd\n0.269393 0.730607 0.250000 P\n0.730607 0.269393 0.750000 P\n0.832581 0.167419 0.053310 Os\n0.167419 0.832581 0.946690 Os\n0.167419 0.832581 0.553310 Os\n0.832581 0.167419 0.446690 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Os",
"C"
],
"chemical_system": "C-Nd-Os-P",
"density": 12.127594014410827,
"density_atomic": 0.06432607006590417,
"volume": 155.45796579450092,
"volume_molar": 9.361897522777499,
"formula_full": "Nd2 P2 Os4 C2",
"formula_reduced": "NdPOs2C",
"formula_anonymous": "ABCD2",
"energy": -88.27997666,
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"updated_at": "2021-11-28T01:35:15.743000Z",
"spacegroup": 63
},
{
"id": "mp-1205603",
"created_at": "2022-09-04T14:41:19.606168Z",
"structure_string": "Tb2 Si2 Ru4 C2\n1.0\n1.913893 -5.556771 0.000000\n1.913893 5.556771 0.000000\n0.000000 0.000000 7.173324\nTb Si Ru C\n2 2 4 2\ndirect\n0.546379 0.453621 0.250000 Tb\n0.453621 0.546379 0.750000 Tb\n0.267287 0.732713 0.250000 Si\n0.732713 0.267287 0.750000 Si\n0.835779 0.164221 0.057588 Ru\n0.164221 0.835779 0.942412 Ru\n0.164221 0.835779 0.557588 Ru\n0.835779 0.164221 0.442412 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ru",
"C"
],
"chemical_system": "C-Ru-Si-Tb",
"density": 8.731880779442026,
"density_atomic": 0.06554044769683251,
"volume": 152.57753572658748,
"volume_molar": 9.188433969594387,
"formula_full": "Tb2 Si2 Ru4 C2",
"formula_reduced": "TbSiRu2C",
"formula_anonymous": "ABCD2",
"energy": -81.68969246,
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"total_magnetization": 9e-07,
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"updated_at": "2021-11-28T01:35:16.022000Z",
"spacegroup": 63
},
{
"id": "mp-559588",
"created_at": "2022-09-04T14:41:25.351855Z",
"structure_string": "Cd2 Sb2 S4 Br2\n1.0\n1.986941 6.600445 0.000000\n-1.986941 6.600445 0.000000\n0.000000 0.276028 9.841065\nCd Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.713858 0.713858 0.684741 Sb\n0.286142 0.286142 0.315259 Sb\n0.085942 0.085942 0.738839 S\n0.646421 0.646421 0.449514 S\n0.353579 0.353579 0.550486 S\n0.914058 0.914058 0.261161 S\n0.634478 0.634478 0.075555 Br\n0.365522 0.365522 0.924445 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Sb",
"S",
"Br"
],
"chemical_system": "Br-Cd-S-Sb",
"density": 4.866044489168799,
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"volume": 258.1251277424016,
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"formula_full": "Cd2 Sb2 S4 Br2",
"formula_reduced": "CdSbS2Br",
"formula_anonymous": "ABCD2",
"energy": -38.04684294,
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"updated_at": "2021-11-28T01:35:21.314000Z",
"spacegroup": 12
}
]
}