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{
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"results": [
{
"id": "mp-673460",
"created_at": "2022-09-04T14:43:36.997061Z",
"structure_string": "H36 Br4 O16\n1.0\n7.454654 0.000000 0.000000\n-0.002120 11.596895 0.000000\n-2.345988 -0.000458 6.766124\nH Br O\n36 4 16\ndirect\n0.352315 0.990186 0.308948 H\n0.167266 0.001576 0.249965 H\n0.647481 0.009843 0.808881 H\n0.832666 0.998466 0.750109 H\n0.881531 0.114659 0.306599 H\n0.975519 0.174508 0.181890 H\n0.117489 0.882729 0.807176 H\n0.024761 0.825405 0.681980 H\n0.632263 0.833730 0.187517 H\n0.625842 0.838358 0.321068 H\n0.363701 0.165306 0.688325 H\n0.373390 0.162897 0.821581 H\n0.663338 0.354868 0.303262 H\n0.666637 0.567811 0.250108 H\n0.336844 0.644999 0.803351 H\n0.333686 0.432229 0.750075 H\n0.188728 0.718143 0.236049 H\n0.992733 0.537746 0.244436 H\n0.811048 0.281885 0.735915 H\n0.007279 0.461894 0.744430 H\n0.347056 0.374307 0.365940 H\n0.205906 0.499342 0.321529 H\n0.652782 0.625681 0.865936 H\n0.794059 0.500584 0.821462 H\n0.522365 0.832769 0.541085 H\n0.403363 0.611247 0.491917 H\n0.405372 0.642818 0.641176 H\n0.477636 0.167196 0.041113 H\n0.594737 0.357319 0.141291 H\n0.596564 0.388652 0.991991 H\n0.026888 0.053602 0.506788 H\n0.137294 0.311820 0.467203 H\n0.937443 0.227620 0.552915 H\n0.062407 0.772192 0.053256 H\n0.973376 0.946463 0.006733 H\n0.862769 0.688129 0.967180 H\n0.982958 0.776960 0.481755 Br\n0.016831 0.222990 0.981831 Br\n0.580196 0.135526 0.447349 Br\n0.420525 0.864102 0.947812 Br\n0.278552 0.956039 0.236854 O\n0.721390 0.043899 0.736861 O\n0.978275 0.100157 0.253570 O\n0.024608 0.902411 0.752956 O\n0.589598 0.749391 0.254449 O\n0.410253 0.250571 0.754453 O\n0.696748 0.440522 0.233632 O\n0.303320 0.559470 0.733677 O\n0.129721 0.568305 0.230799 O\n0.870320 0.431729 0.730821 O\n0.268363 0.447976 0.397255 O\n0.731713 0.552166 0.897152 O\n0.483950 0.688487 0.557651 O\n0.515999 0.311486 0.057676 O\n0.056811 0.205951 0.532148 O\n0.943328 0.794087 0.032063 O\n",
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"volume": 584.9371013097893,
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"formula_full": "H36 Br4 O16",
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"updated_at": "2021-11-28T01:36:17.132000Z",
"spacegroup": 1
},
{
"id": "mp-1018112",
"created_at": "2022-09-04T14:43:37.039810Z",
"structure_string": "Y1 Sb2\n1.0\n1.801254 -3.185015 0.000000\n1.801254 3.185015 0.000000\n0.000000 0.000000 7.516455\nY Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.673765 Sb\n0.000000 0.500000 0.326235 Sb\n",
"nsites": 3,
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"elements": [
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"density": 6.400507159372045,
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"volume": 86.24412049354993,
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"formula_full": "Y1 Sb2",
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"updated_at": "2021-11-28T01:36:18.308000Z",
"spacegroup": 21
},
{
"id": "mp-1025349",
"created_at": "2022-09-04T14:43:37.048358Z",
"structure_string": "Sr2 Zr1 O4\n1.0\n-2.087583 2.087583 6.423165\n2.087583 -2.087583 6.423165\n2.087583 2.087583 -6.423165\nSr Zr O\n2 1 4\ndirect\n0.352540 0.352540 0.000000 Sr\n0.647460 0.647460 0.000000 Sr\n0.000000 0.000000 0.000000 Zr\n0.166072 0.166072 0.000000 O\n0.833928 0.833928 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"elements": [
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"density_atomic": 0.06251748047133682,
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"formula_full": "Sr2 Zr1 O4",
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},
{
"id": "mp-1215488",
"created_at": "2022-09-04T14:43:37.050586Z",
"structure_string": "Zn5 Pd3\n1.0\n3.073391 0.000000 0.000000\n0.000000 3.073391 0.000000\n0.000000 0.000000 12.288052\nZn Pd\n5 3\ndirect\n0.000000 0.000000 0.875066 Zn\n0.000000 0.000000 0.124934 Zn\n0.000000 0.000000 0.374826 Zn\n0.000000 0.000000 0.625174 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.250007 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.749993 Pd\n",
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"formula_full": "Zn5 Pd3",
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"formula_anonymous": "A3B5",
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"updated_at": "2021-11-28T01:36:20.608000Z",
"spacegroup": 123
},
{
"id": "mp-605860",
"created_at": "2022-09-04T14:43:37.059863Z",
"structure_string": "Ba16 Li8 N8\n1.0\n8.268627 0.000000 0.000000\n0.000000 8.268627 0.000000\n0.000000 0.000000 15.501686\nBa Li N\n16 8 8\ndirect\n0.000000 0.772571 0.410065 Ba\n0.000000 0.227429 0.410065 Ba\n0.780411 0.500000 0.605400 Ba\n0.772571 0.000000 0.589935 Ba\n0.500000 0.727429 0.089935 Ba\n0.272571 0.500000 0.910065 Ba\n0.000000 0.719589 0.105400 Ba\n0.500000 0.272571 0.089935 Ba\n0.280411 0.000000 0.894600 Ba\n0.219589 0.500000 0.605400 Ba\n0.000000 0.280411 0.105400 Ba\n0.500000 0.219589 0.394600 Ba\n0.227429 0.000000 0.589935 Ba\n0.719589 0.000000 0.894600 Ba\n0.727429 0.500000 0.910065 Ba\n0.500000 0.780411 0.394600 Ba\n0.743565 0.500000 0.218846 Li\n0.500000 0.256435 0.781154 Li\n0.000000 0.243565 0.718846 Li\n0.500000 0.743565 0.781154 Li\n0.756435 0.000000 0.281154 Li\n0.243565 0.000000 0.281154 Li\n0.000000 0.756435 0.718846 Li\n0.256435 0.500000 0.218846 Li\n0.256755 0.000000 0.411243 N\n0.000000 0.256755 0.588757 N\n0.743245 0.000000 0.411243 N\n0.500000 0.243245 0.911243 N\n0.243245 0.500000 0.088757 N\n0.500000 0.756755 0.911243 N\n0.000000 0.743245 0.588757 N\n0.756755 0.500000 0.088757 N\n",
"nsites": 32,
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"density_atomic": 0.030192859094735576,
"volume": 1059.8532553539958,
"volume_molar": 19.945579652143707,
"formula_full": "Ba16 Li8 N8",
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"formula_anonymous": "ABC2",
"energy": -124.33426301,
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"updated_at": "2021-11-28T01:36:23.023000Z",
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},
{
"id": "mp-1212381",
"created_at": "2022-09-04T14:43:37.062841Z",
"structure_string": "Ho4 Mo6 O24\n1.0\n7.436893 0.000000 0.000000\n0.000000 7.436893 0.000000\n0.000000 0.000000 10.682104\nHo Mo O\n4 6 24\ndirect\n0.187900 0.687900 0.737938 Ho\n0.812100 0.312100 0.737938 Ho\n0.687900 0.812100 0.262062 Ho\n0.312100 0.187900 0.262062 Ho\n0.207232 0.707232 0.356845 Mo\n0.792768 0.292768 0.356845 Mo\n0.707232 0.792768 0.643155 Mo\n0.292768 0.207232 0.643155 Mo\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.006558 0.224430 0.298419 O\n0.993442 0.775570 0.298419 O\n0.224430 0.993442 0.701581 O\n0.493442 0.724430 0.701581 O\n0.775570 0.006558 0.701581 O\n0.506558 0.275570 0.701581 O\n0.275570 0.493442 0.298419 O\n0.724430 0.506558 0.298419 O\n0.189741 0.043373 0.098719 O\n0.810259 0.956627 0.098719 O\n0.043373 0.810259 0.901281 O\n0.310259 0.543373 0.901281 O\n0.956627 0.189741 0.901281 O\n0.689741 0.456627 0.901281 O\n0.456627 0.310259 0.098719 O\n0.543373 0.689741 0.098719 O\n0.625240 0.125240 0.309474 O\n0.374760 0.874760 0.309474 O\n0.125240 0.374760 0.690526 O\n0.874760 0.625240 0.690526 O\n0.195138 0.695138 0.523336 O\n0.804862 0.304862 0.523336 O\n0.695138 0.804862 0.476664 O\n0.304862 0.195138 0.476664 O\n",
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"formula_full": "Ho4 Mo6 O24",
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"spacegroup": 113
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{
"id": "mp-1213442",
"created_at": "2022-09-04T14:43:37.064014Z",
"structure_string": "Cs2 In2 H4 Se4 O16\n1.0\n7.915047 5.022333 0.000000\n-7.915047 5.022333 0.000000\n0.000000 2.116340 6.547929\nCs In H Se O\n2 2 4 4 16\ndirect\n0.598029 0.401971 0.750000 Cs\n0.401971 0.598029 0.250000 Cs\n0.226444 0.773556 0.750000 In\n0.773556 0.226444 0.250000 In\n0.962893 0.065811 0.294583 H\n0.037107 0.934189 0.705417 H\n0.934189 0.037107 0.205417 H\n0.065811 0.962893 0.794583 H\n0.615208 0.904453 0.707019 Se\n0.384792 0.095547 0.292981 Se\n0.095547 0.384792 0.792981 Se\n0.904453 0.615208 0.207019 Se\n0.716257 0.882198 0.871247 O\n0.283743 0.117802 0.128753 O\n0.117802 0.283743 0.628753 O\n0.882198 0.716257 0.371247 O\n0.561312 0.770115 0.570406 O\n0.438688 0.229885 0.429594 O\n0.229885 0.438688 0.929594 O\n0.770115 0.561312 0.070406 O\n0.435447 0.891146 0.846482 O\n0.564553 0.108854 0.153518 O\n0.108854 0.564553 0.653518 O\n0.891146 0.435447 0.346482 O\n0.714580 0.101679 0.557466 O\n0.285420 0.898321 0.442534 O\n0.898321 0.285420 0.942534 O\n0.101679 0.714580 0.057466 O\n",
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"formula_full": "Cs2 In2 H4 Se4 O16",
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{
"id": "mp-1106142",
"created_at": "2022-09-04T14:43:37.076769Z",
"structure_string": "Br4 N16\n1.0\n6.599258 0.000000 0.000000\n0.000000 6.719630 0.000000\n0.000000 0.000000 7.236995\nBr N\n4 16\ndirect\n0.177347 0.210031 0.016704 Br\n0.322653 0.789969 0.516704 Br\n0.822653 0.710031 0.483296 Br\n0.677347 0.289969 0.983296 Br\n0.148423 0.171328 0.510156 N\n0.351577 0.828672 0.010156 N\n0.851577 0.671328 0.989844 N\n0.648423 0.328672 0.489844 N\n0.316835 0.293658 0.502888 N\n0.183165 0.706342 0.002888 N\n0.683165 0.793658 0.997112 N\n0.816835 0.206342 0.497112 N\n0.983797 0.303213 0.503791 N\n0.516203 0.696787 0.003791 N\n0.016203 0.803213 0.996209 N\n0.483797 0.196787 0.496209 N\n0.114671 0.981501 0.521573 N\n0.385329 0.018499 0.021573 N\n0.885329 0.481501 0.978427 N\n0.614671 0.518499 0.478427 N\n",
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"formula_full": "Br4 N16",
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{
"id": "mp-556375",
"created_at": "2022-09-04T14:43:37.101517Z",
"structure_string": "Ba4 La2 Sb2 O12\n1.0\n6.181823 0.000000 0.000000\n0.000000 6.172725 0.000000\n0.000000 6.156337 8.749659\nBa La Sb O\n4 2 2 12\ndirect\n0.005188 0.750463 0.250562 Ba\n0.505188 0.249537 0.249438 Ba\n0.494812 0.750463 0.750562 Ba\n0.994812 0.249537 0.749438 Ba\n0.000000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.500000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.507931 0.232796 0.769183 O\n0.783881 0.753042 0.501580 O\n0.255205 0.788253 0.995138 O\n0.755205 0.211747 0.504862 O\n0.216119 0.246958 0.498420 O\n0.244795 0.788253 0.495138 O\n0.283881 0.246958 0.998420 O\n0.744795 0.211747 0.004862 O\n0.992069 0.232796 0.269183 O\n0.007931 0.767204 0.730817 O\n0.716119 0.753042 0.001580 O\n0.492069 0.767204 0.230817 O\n",
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{
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