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{
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{
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{
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{
"id": "mp-1333085",
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"structure_string": "Sr2 Mg2 Co2 P4 O16\n1.0\n5.543862 0.000000 0.000000\n-1.006126 6.882315 0.000000\n-1.911851 -3.632605 8.428751\nSr Mg Co P O\n2 2 2 4 16\ndirect\n0.200050 0.750818 0.051777 Sr\n0.799950 0.249182 0.948223 Sr\n0.337314 0.732215 0.649841 Mg\n0.662686 0.267785 0.350159 Mg\n0.077196 0.289624 0.558598 Co\n0.922804 0.710376 0.441402 Co\n0.159042 0.188515 0.237346 P\n0.840958 0.811485 0.762654 P\n0.540738 0.721499 0.303582 P\n0.459262 0.278501 0.696418 P\n0.930085 0.664613 0.887409 O\n0.450688 0.263174 0.211337 O\n0.898050 0.036417 0.761159 O\n0.259716 0.420842 0.694259 O\n0.549312 0.736826 0.788663 O\n0.426422 0.170279 0.576092 O\n0.573578 0.829721 0.423908 O\n0.393898 0.129927 0.865957 O\n0.101950 0.963583 0.238841 O\n0.606102 0.870073 0.134043 O\n0.069915 0.335387 0.112591 O\n0.979222 0.194408 0.398325 O\n0.020778 0.805592 0.601675 O\n0.256545 0.583416 0.367858 O\n0.740284 0.579158 0.305741 O\n0.743455 0.416584 0.632142 O\n",
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{
"id": "mp-1030613",
"created_at": "2022-09-04T14:39:06.110351Z",
"structure_string": "Te4 Mo2 W2 Se4\n1.0\n1.718936 -2.977284 0.000000\n1.718936 2.977284 0.000000\n0.000000 0.000000 39.098958\nTe Mo W Se\n4 2 2 4\ndirect\n0.000000 0.000000 0.329225 Te\n0.000000 0.000000 0.705246 Te\n0.000000 0.000000 0.234373 Te\n0.000000 0.000000 0.609832 Te\n0.000000 0.000000 0.093909 Mo\n0.333333 0.666667 0.281782 Mo\n0.000000 0.000000 0.469657 W\n0.333333 0.666667 0.657550 W\n0.333333 0.666667 0.052114 Se\n0.333333 0.666667 0.427692 Se\n0.333333 0.666667 0.135757 Se\n0.333333 0.666667 0.511612 Se\n",
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"formula_full": "Te4 Mo2 W2 Se4",
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{
"id": "mp-631592",
"created_at": "2022-09-04T14:39:06.116954Z",
"structure_string": "Re2 Ru1 Br1\n1.0\n0.000000 3.136621 3.136621\n3.136621 0.000000 3.136621\n3.136621 3.136621 0.000000\nRe Ru Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "mp-2089",
"created_at": "2022-09-04T14:39:06.118221Z",
"structure_string": "Zr2 Te6\n1.0\n3.950031 0.000000 0.000000\n0.000000 5.986970 0.000000\n0.000000 1.243792 10.352691\nZr Te\n2 6\ndirect\n0.250000 0.716564 0.662825 Zr\n0.750000 0.283436 0.337175 Zr\n0.250000 0.556582 0.174931 Te\n0.750000 0.443418 0.825069 Te\n0.250000 0.082112 0.172429 Te\n0.750000 0.917888 0.827571 Te\n0.250000 0.237835 0.555030 Te\n0.750000 0.762165 0.444970 Te\n",
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{
"id": "mp-1246219",
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"structure_string": "Zr4 Mo4 N12\n1.0\n8.277924 2.190017 -0.316900\n-0.981184 5.772590 -0.403799\n-2.274598 -4.263348 6.314016\nZr Mo N\n4 4 12\ndirect\n0.288646 0.381776 0.973030 Zr\n0.711354 0.618224 0.026970 Zr\n0.809001 0.480058 0.628021 Zr\n0.190999 0.519942 0.371979 Zr\n0.244960 0.820472 0.881090 Mo\n0.755040 0.179528 0.118910 Mo\n0.600570 0.900251 0.387778 Mo\n0.399430 0.099749 0.612222 Mo\n0.733001 0.676028 0.450385 N\n0.266999 0.323972 0.549615 N\n0.757644 0.075087 0.318471 N\n0.242356 0.924913 0.681529 N\n0.636076 0.273923 0.660499 N\n0.363924 0.726077 0.339501 N\n0.774647 0.843763 0.911704 N\n0.225353 0.156237 0.088296 N\n0.917695 0.456142 0.180474 N\n0.082305 0.543858 0.819526 N\n0.547270 0.260980 0.951473 N\n0.452730 0.739020 0.048527 N\n",
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{
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"structure_string": "Ba12 Ta24 N48\n1.0\n11.314105 0.000000 0.000000\n0.000000 11.314105 0.000000\n0.000000 0.000000 11.314105\nBa Ta N\n12 24 48\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.120726 0.879274 0.379274 Ba\n0.879274 0.379274 0.120726 Ba\n0.379274 0.120726 0.879274 Ba\n0.620726 0.620726 0.620726 Ba\n0.879274 0.120726 0.620726 Ba\n0.120726 0.620726 0.879274 Ba\n0.620726 0.879274 0.120726 Ba\n0.379274 0.379274 0.379274 Ba\n0.391565 0.706492 0.348816 Ta\n0.608435 0.206492 0.151184 Ta\n0.108435 0.293508 0.848816 Ta\n0.891565 0.793508 0.651184 Ta\n0.348816 0.391565 0.706492 Ta\n0.151184 0.608435 0.206492 Ta\n0.848816 0.108435 0.293508 Ta\n0.651184 0.891565 0.793508 Ta\n0.706492 0.348816 0.391565 Ta\n0.206492 0.151184 0.608435 Ta\n0.293508 0.848816 0.108435 Ta\n0.793508 0.651184 0.891565 Ta\n0.608435 0.293508 0.651184 Ta\n0.391565 0.793508 0.848816 Ta\n0.891565 0.706492 0.151184 Ta\n0.108435 0.206492 0.348816 Ta\n0.651184 0.608435 0.293508 Ta\n0.848816 0.391565 0.793508 Ta\n0.151184 0.891565 0.706492 Ta\n0.348816 0.108435 0.206492 Ta\n0.293508 0.651184 0.608435 Ta\n0.793508 0.848816 0.391565 Ta\n0.706492 0.151184 0.891565 Ta\n0.206492 0.348816 0.108435 Ta\n0.362624 0.858320 0.265934 N\n0.637376 0.358320 0.234066 N\n0.137376 0.141680 0.765934 N\n0.862624 0.641680 0.734066 N\n0.265934 0.362624 0.858320 N\n0.234066 0.637376 0.358320 N\n0.765934 0.137376 0.141680 N\n0.734066 0.862624 0.641680 N\n0.858320 0.265934 0.362624 N\n0.358320 0.234066 0.637376 N\n0.141680 0.765934 0.137376 N\n0.641680 0.734066 0.862624 N\n0.637376 0.141680 0.734066 N\n0.362624 0.641680 0.765934 N\n0.862624 0.858320 0.234066 N\n0.137376 0.358320 0.265934 N\n0.734066 0.637376 0.141680 N\n0.765934 0.362624 0.641680 N\n0.234066 0.862624 0.858320 N\n0.265934 0.137376 0.358320 N\n0.141680 0.734066 0.637376 N\n0.641680 0.765934 0.362624 N\n0.858320 0.234066 0.862624 N\n0.358320 0.265934 0.137376 N\n0.419094 0.729251 0.516548 N\n0.580906 0.229251 0.983452 N\n0.080906 0.270749 0.016548 N\n0.919094 0.770749 0.483452 N\n0.516548 0.419094 0.729251 N\n0.983452 0.580906 0.229251 N\n0.016548 0.080906 0.270749 N\n0.483452 0.919094 0.770749 N\n0.729251 0.516548 0.419094 N\n0.229251 0.983452 0.580906 N\n0.270749 0.016548 0.080906 N\n0.770749 0.483452 0.919094 N\n0.580906 0.270749 0.483452 N\n0.419094 0.770749 0.016548 N\n0.919094 0.729251 0.983452 N\n0.080906 0.229251 0.516548 N\n0.483452 0.580906 0.270749 N\n0.016548 0.419094 0.770749 N\n0.983452 0.919094 0.729251 N\n0.516548 0.080906 0.229251 N\n0.270749 0.483452 0.580906 N\n0.770749 0.016548 0.419094 N\n0.729251 0.983452 0.919094 N\n0.229251 0.516548 0.080906 N\n",
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{
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"structure_string": "Cs6 Sm14 Te24\n1.0\n4.529206 0.000000 0.000000\n0.000000 13.965725 0.000000\n0.000000 0.000000 28.663738\nCs Sm Te\n6 14 24\ndirect\n0.500000 0.032366 0.369439 Cs\n0.500000 0.460710 0.633526 Cs\n0.000000 0.539290 0.133526 Cs\n0.000000 0.967634 0.869439 Cs\n0.500000 0.310781 0.028890 Cs\n0.000000 0.689219 0.528890 Cs\n0.500000 0.669752 0.318063 Sm\n0.500000 0.831837 0.682662 Sm\n0.000000 0.168163 0.182662 Sm\n0.000000 0.330248 0.818063 Sm\n0.500000 0.339204 0.287517 Sm\n0.500000 0.161145 0.712589 Sm\n0.000000 0.838855 0.212589 Sm\n0.000000 0.660796 0.787517 Sm\n0.500000 0.250145 0.500174 Sm\n0.000000 0.749855 0.000174 Sm\n0.500000 0.534520 0.915033 Sm\n0.500000 0.965523 0.083741 Sm\n0.000000 0.034477 0.583741 Sm\n0.000000 0.465480 0.415033 Sm\n0.500000 0.620817 0.424200 Te\n0.500000 0.880091 0.576278 Te\n0.000000 0.119909 0.076278 Te\n0.000000 0.379183 0.924200 Te\n0.500000 0.321910 0.176773 Te\n0.500000 0.178704 0.821669 Te\n0.000000 0.821296 0.321669 Te\n0.000000 0.678090 0.676773 Te\n0.500000 0.593532 0.019671 Te\n0.500000 0.902494 0.980864 Te\n0.000000 0.097506 0.480864 Te\n0.000000 0.406468 0.519671 Te\n0.500000 0.312117 0.395725 Te\n0.500000 0.186664 0.604211 Te\n0.000000 0.813336 0.104211 Te\n0.000000 0.687883 0.895725 Te\n0.500000 0.497327 0.802179 Te\n0.500000 0.002407 0.197511 Te\n0.000000 0.997593 0.697511 Te\n0.000000 0.502673 0.302179 Te\n0.500000 0.688909 0.210355 Te\n0.500000 0.810721 0.789929 Te\n0.000000 0.189279 0.289929 Te\n0.000000 0.311091 0.710355 Te\n",
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},
{
"id": "mp-1202698",
"created_at": "2022-09-04T14:39:06.079292Z",
"structure_string": "Nd2 Ni24 B12\n1.0\n3.698562 -4.809122 0.000000\n3.698562 4.809122 0.000000\n0.000000 0.000000 11.046656\nNd Ni B\n2 24 12\ndirect\n0.835298 0.835298 0.498437 Nd\n0.164702 0.164702 0.998437 Nd\n0.566117 0.566117 0.918321 Ni\n0.433883 0.433883 0.418321 Ni\n0.778824 0.778824 0.099616 Ni\n0.221176 0.221176 0.599616 Ni\n0.541731 0.804455 0.734636 Ni\n0.804455 0.541731 0.734636 Ni\n0.458269 0.195545 0.234636 Ni\n0.195545 0.458269 0.234636 Ni\n0.145652 0.881014 0.755665 Ni\n0.881014 0.145652 0.755665 Ni\n0.854348 0.118986 0.255665 Ni\n0.118986 0.854348 0.255665 Ni\n0.659943 0.273068 0.567814 Ni\n0.273068 0.659943 0.567814 Ni\n0.340057 0.726932 0.067814 Ni\n0.726932 0.340057 0.067814 Ni\n0.628974 0.994400 0.936825 Ni\n0.994400 0.628974 0.936825 Ni\n0.371026 0.005600 0.436825 Ni\n0.005600 0.371026 0.436825 Ni\n0.474145 0.212049 0.774956 Ni\n0.212049 0.474145 0.774956 Ni\n0.525855 0.787951 0.274956 Ni\n0.787951 0.525855 0.274956 Ni\n0.835564 0.835564 0.835495 B\n0.164436 0.164436 0.335495 B\n0.488574 0.488574 0.654781 B\n0.511426 0.511426 0.154781 B\n0.324113 0.752771 0.885696 B\n0.752771 0.324113 0.885696 B\n0.675887 0.247229 0.385696 B\n0.247229 0.675887 0.385696 B\n0.401071 0.988002 0.622582 B\n0.988002 0.401071 0.622582 B\n0.598929 0.011998 0.122582 B\n0.011998 0.598929 0.122582 B\n",
"nsites": 38,
"nelements": 3,
"elements": [
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],
"chemical_system": "B-Nd-Ni",
"density": 7.719590627510376,
"density_atomic": 0.09669946538861957,
"volume": 392.9701146462819,
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"formula_full": "Nd2 Ni24 B12",
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"formula_anonymous": "AB6C12",
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"updated_at": "2021-11-28T01:34:31.999000Z",
"spacegroup": 36
},
{
"id": "mp-1210754",
"created_at": "2022-09-04T14:39:06.852813Z",
"structure_string": "Lu10 Ni4 Sb2\n1.0\n-3.700511 3.700511 6.709311\n3.700511 -3.700511 6.709311\n3.700511 3.700511 -6.709311\nLu Ni Sb\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.795291 0.295291 0.817578 Lu\n0.204709 0.704709 0.182422 Lu\n0.477713 0.977713 0.182422 Lu\n0.295291 0.477713 0.500000 Lu\n0.022287 0.204709 0.500000 Lu\n0.522287 0.022287 0.817578 Lu\n0.704709 0.522287 0.500000 Lu\n0.977713 0.795291 0.500000 Lu\n0.128352 0.628352 0.756705 Ni\n0.871648 0.371648 0.243295 Ni\n0.628352 0.871648 0.500000 Ni\n0.371648 0.128352 0.500000 Ni\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ni",
"Sb"
],
"chemical_system": "Lu-Ni-Sb",
"density": 10.066902788478078,
"density_atomic": 0.04353701694616695,
"volume": 367.5033597222296,
"volume_molar": 13.832231012626133,
"formula_full": "Lu10 Ni4 Sb2",
"formula_reduced": "Lu5Ni2Sb",
"formula_anonymous": "AB2C5",
"energy": -86.01462519,
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"total_magnetization": 0.0200379,
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"updated_at": "2021-11-28T01:34:25.109000Z",
"spacegroup": 140
}
]
}