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{
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"results": [
{
"id": "mp-1198800",
"created_at": "2022-09-04T14:42:12.278422Z",
"structure_string": "Bi12 Pd32\n1.0\n14.761078 -3.990044 0.000000\n14.761078 3.990044 0.000000\n13.682536 0.000000 6.826279\nBi Pd\n12 32\ndirect\n0.992387 0.361542 0.664552 Bi\n0.664552 0.992387 0.361542 Bi\n0.361542 0.664552 0.992387 Bi\n0.493069 0.162195 0.861699 Bi\n0.861699 0.493069 0.162195 Bi\n0.162195 0.861699 0.493069 Bi\n0.074975 0.074975 0.074975 Bi\n0.268451 0.268451 0.268451 Bi\n0.428405 0.428405 0.428405 Bi\n0.575368 0.575368 0.575368 Bi\n0.769888 0.769888 0.769888 Bi\n0.927164 0.927164 0.927164 Bi\n0.040764 0.745289 0.331253 Pd\n0.331253 0.040764 0.745289 Pd\n0.745289 0.331253 0.040764 Pd\n0.541759 0.831733 0.244727 Pd\n0.244727 0.541759 0.831733 Pd\n0.831733 0.244727 0.541759 Pd\n0.069056 0.437162 0.708368 Pd\n0.708368 0.069056 0.437162 Pd\n0.437162 0.708368 0.069056 Pd\n0.567443 0.209664 0.937300 Pd\n0.937300 0.567443 0.209664 Pd\n0.209664 0.937300 0.567443 Pd\n0.113966 0.793245 0.410466 Pd\n0.410466 0.113966 0.793245 Pd\n0.793245 0.410466 0.113966 Pd\n0.619718 0.908123 0.291889 Pd\n0.291889 0.619718 0.908123 Pd\n0.908123 0.291889 0.619718 Pd\n0.116734 0.507391 0.791717 Pd\n0.791717 0.116734 0.507391 Pd\n0.507391 0.791717 0.116734 Pd\n0.606298 0.294289 0.016711 Pd\n0.016711 0.606298 0.294289 Pd\n0.294289 0.016711 0.606298 Pd\n0.139177 0.139177 0.139177 Pd\n0.205631 0.205631 0.205631 Pd\n0.362295 0.362295 0.362295 Pd\n0.493755 0.493755 0.493755 Pd\n0.639963 0.639963 0.639963 Pd\n0.706994 0.706994 0.706994 Pd\n0.861704 0.861704 0.861704 Pd\n0.991721 0.991721 0.991721 Pd\n",
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"formula_full": "Bi12 Pd32",
"formula_reduced": "Bi3Pd8",
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"energy": -223.66932643,
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"updated_at": "2021-11-28T01:35:35.528000Z",
"spacegroup": 146
},
{
"id": "mp-1237667",
"created_at": "2022-09-04T14:42:12.281056Z",
"structure_string": "Na1 O1\n1.0\n2.241324 1.926558 0.000000\n2.241324 -1.926558 0.000000\n0.591490 0.000000 -2.910429\nNa O\n1 1\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 O\n",
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"volume": 25.13470165275528,
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"formula_full": "Na1 O1",
"formula_reduced": "NaO",
"formula_anonymous": "AB",
"energy": -8.37615263,
"energy_per_atom": -4.188076315,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:38.330000Z",
"spacegroup": 166
},
{
"id": "mp-1188481",
"created_at": "2022-09-04T14:42:12.285062Z",
"structure_string": "Y3 Ga9 Ni6\n1.0\n0.000000 0.000000 3.803842\n9.357875 0.000000 0.000000\n-4.678938 8.110695 0.000000\nY Ga Ni\n3 9 6\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.833034 0.666068 Y\n0.000000 0.166966 0.333932 Y\n0.500000 0.684254 0.368509 Ga\n0.500000 0.131548 0.816030 Ga\n0.500000 0.684481 0.816030 Ga\n0.500000 0.315746 0.631491 Ga\n0.500000 0.315519 0.183970 Ga\n0.500000 0.868452 0.183970 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.210869 0.000000 Ni\n0.000000 0.500233 0.712449 Ni\n0.000000 0.787784 0.287551 Ni\n0.000000 0.789131 0.000000 Ni\n0.000000 0.499767 0.287551 Ni\n0.000000 0.212216 0.712449 Ni\n",
"nsites": 18,
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"elements": [
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"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Y",
"density": 7.168751307723135,
"density_atomic": 0.06234688009850515,
"volume": 288.7073093563117,
"volume_molar": 9.659089196580968,
"formula_full": "Y3 Ga9 Ni6",
"formula_reduced": "YGa3Ni2",
"formula_anonymous": "AB2C3",
"energy": -89.87995694,
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"updated_at": "2021-11-28T01:35:38.474000Z",
"spacegroup": 191
},
{
"id": "mp-1065146",
"created_at": "2022-09-04T14:42:12.291876Z",
"structure_string": "Ti1 Si1\n1.0\n1.806697 -2.139481 0.000000\n1.806697 2.139481 0.000000\n0.000000 0.000000 3.798949\nTi Si\n1 1\ndirect\n0.044836 0.955164 0.000000 Ti\n0.556664 0.443336 0.500000 Si\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Si-Ti",
"density": 4.2944144397255055,
"density_atomic": 0.06809932061944171,
"volume": 29.368868614366452,
"volume_molar": 8.843173037883046,
"formula_full": "Ti1 Si1",
"formula_reduced": "TiSi",
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"updated_at": "2021-11-28T01:35:38.452000Z",
"spacegroup": 38
},
{
"id": "mp-1097631",
"created_at": "2022-09-04T14:42:04.257047Z",
"structure_string": "Ba2 Mg1 Tl1\n1.0\n-6.718384 7.199873 10.180575\n6.718384 -7.199873 10.180575\n6.718384 7.199873 -10.180575\nBa Mg Tl\n2 1 1\ndirect\n0.000000 0.259968 0.259968 Ba\n0.000000 0.740032 0.740032 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Mg",
"Tl"
],
"chemical_system": "Ba-Mg-Tl",
"density": 0.4243171338101535,
"density_atomic": 0.002030663830611936,
"volume": 1969.7992054128472,
"volume_molar": 296.56020209830797,
"formula_full": "Ba2 Mg1 Tl1",
"formula_reduced": "Ba2MgTl",
"formula_anonymous": "ABC2",
"energy": -2.74159245,
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"updated_at": "2021-11-28T01:35:35.515000Z",
"spacegroup": 71
},
{
"id": "mp-1077032",
"created_at": "2022-09-04T14:42:53.921675Z",
"structure_string": "Ce2 Zn4\n1.0\n-2.289391 3.638312 3.760852\n2.289391 -3.638312 3.760852\n2.289391 3.638312 -3.760852\nCe Zn\n2 4\ndirect\n0.714035 0.464035 0.250000 Ce\n0.285965 0.535965 0.750000 Ce\n0.893556 0.836234 0.057322 Zn\n0.106444 0.163766 0.942678 Zn\n0.721088 0.163766 0.557322 Zn\n0.278912 0.836234 0.442678 Zn\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ce-Zn",
"density": 7.1808599648687395,
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"volume": 125.30434896969285,
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"formula_full": "Ce2 Zn4",
"formula_reduced": "CeZn2",
"formula_anonymous": "AB2",
"energy": -18.65487999,
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"updated_at": "2021-11-28T01:35:56.128000Z",
"spacegroup": 74
},
{
"id": "mp-1247251",
"created_at": "2022-09-04T14:42:12.308004Z",
"structure_string": "Ba8 Mo4 N12\n1.0\n6.678199 -0.023326 0.093137\n-10.548711 5.465571 0.000000\n-0.188714 -0.364223 13.384924\nBa Mo N\n8 4 12\ndirect\n0.499706 0.062165 0.864758 Ba\n0.500294 0.562460 0.635242 Ba\n0.500294 0.937835 0.135242 Ba\n0.499706 0.437540 0.364758 Ba\n0.501191 0.859407 0.585553 Ba\n0.498809 0.358216 0.914447 Ba\n0.498809 0.140593 0.414447 Ba\n0.501191 0.641784 0.085553 Ba\n0.500697 0.240628 0.662147 Mo\n0.499303 0.739931 0.837853 Mo\n0.499303 0.759372 0.337853 Mo\n0.500697 0.260069 0.162147 Mo\n0.000000 0.518650 0.750000 N\n0.000000 0.481350 0.250000 N\n0.504677 0.091547 0.624939 N\n0.495323 0.586870 0.875061 N\n0.495323 0.908453 0.375061 N\n0.504677 0.413130 0.124939 N\n0.497886 0.159056 0.052212 N\n0.502114 0.661170 0.447788 N\n0.502114 0.840944 0.947788 N\n0.497886 0.338830 0.552212 N\n0.000000 0.016921 0.750000 N\n0.000000 0.983079 0.250000 N\n",
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"elements": [
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],
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"volume": 485.71243220968114,
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"formula_full": "Ba8 Mo4 N12",
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"updated_at": "2021-11-28T01:35:36.563000Z",
"spacegroup": 64
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{
"id": "mp-1214437",
"created_at": "2022-09-04T14:42:04.207861Z",
"structure_string": "Ce8 W4 O24\n1.0\n5.638625 8.236604 0.000000\n-5.638625 8.236604 0.000000\n0.000000 1.489957 5.337478\nCe W O\n8 4 24\ndirect\n0.617753 0.382247 0.750000 Ce\n0.382247 0.617753 0.250000 Ce\n0.120553 0.879447 0.750000 Ce\n0.879447 0.120553 0.250000 Ce\n0.711985 0.939913 0.890331 Ce\n0.288015 0.060087 0.109669 Ce\n0.060087 0.288015 0.609669 Ce\n0.939913 0.711985 0.390331 Ce\n0.502535 0.819267 0.578740 W\n0.497465 0.180733 0.421260 W\n0.180733 0.497465 0.921260 W\n0.819267 0.502535 0.078740 W\n0.685583 0.146128 0.583358 O\n0.314417 0.853872 0.416642 O\n0.853872 0.314417 0.916642 O\n0.146128 0.685583 0.083358 O\n0.373028 0.813093 0.894351 O\n0.626972 0.186907 0.105649 O\n0.186907 0.626972 0.605649 O\n0.813093 0.373028 0.394351 O\n0.698616 0.786946 0.643100 O\n0.301384 0.213054 0.356900 O\n0.213054 0.301384 0.856900 O\n0.786946 0.698616 0.143100 O\n0.468996 0.037827 0.725712 O\n0.531004 0.962173 0.274288 O\n0.962173 0.531004 0.774288 O\n0.037827 0.468996 0.225712 O\n0.538683 0.623849 0.520657 O\n0.461317 0.376151 0.479343 O\n0.376151 0.461317 0.979343 O\n0.623849 0.538683 0.020657 O\n0.896053 0.928314 0.077934 O\n0.103947 0.071686 0.922066 O\n0.071686 0.103947 0.422066 O\n0.928314 0.896053 0.577934 O\n",
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"volume": 495.7782756275784,
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"formula_full": "Ce8 W4 O24",
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{
"id": "mp-1206892",
"created_at": "2022-09-04T14:42:12.450606Z",
"structure_string": "Ho4 Mg2 Pd4\n1.0\n0.000000 0.000000 3.831954\n7.603760 0.000000 0.000000\n0.000000 7.603760 0.000000\nHo Mg Pd\n4 2 4\ndirect\n0.500000 0.170963 0.670963 Ho\n0.500000 0.829037 0.329037 Ho\n0.500000 0.329037 0.170963 Ho\n0.500000 0.670963 0.829037 Ho\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.630718 0.130718 Pd\n0.000000 0.369282 0.869282 Pd\n0.000000 0.869282 0.630718 Pd\n0.000000 0.130718 0.369282 Pd\n",
"nsites": 10,
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],
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"density": 8.49942182377057,
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"volume": 221.5527210496409,
"volume_molar": 13.342216719219525,
"formula_full": "Ho4 Mg2 Pd4",
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"formula_anonymous": "AB2C2",
"energy": -50.1252672,
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"spacegroup": 127
},
{
"id": "mp-1225913",
"created_at": "2022-09-04T14:42:04.212364Z",
"structure_string": "Eu4 Mo2 W4 O24\n1.0\n5.874941 3.976893 0.000000\n-5.874941 3.976893 0.000000\n0.000000 3.862282 10.969228\nEu Mo W O\n4 2 4 24\ndirect\n0.193119 0.444359 0.094876 Eu\n0.555641 0.806881 0.405124 Eu\n0.806881 0.555641 0.905124 Eu\n0.444359 0.193119 0.594876 Eu\n0.620231 0.379769 0.250000 Mo\n0.379769 0.620231 0.750000 Mo\n0.006626 0.298679 0.453899 W\n0.701321 0.993374 0.046101 W\n0.993374 0.701321 0.546101 W\n0.298679 0.006626 0.953899 W\n0.514872 0.099568 0.278746 O\n0.900432 0.485128 0.221254 O\n0.485128 0.900432 0.721254 O\n0.099568 0.514872 0.778746 O\n0.895763 0.827491 0.439339 O\n0.172509 0.104237 0.060661 O\n0.104237 0.172509 0.560661 O\n0.827491 0.895763 0.939339 O\n0.724955 0.126882 0.461828 O\n0.873118 0.275045 0.038172 O\n0.275045 0.873118 0.538172 O\n0.126882 0.724955 0.961828 O\n0.400900 0.826514 0.074553 O\n0.173486 0.599100 0.425447 O\n0.599100 0.173486 0.925447 O\n0.826514 0.400900 0.574553 O\n0.555112 0.476178 0.112713 O\n0.523822 0.444888 0.387287 O\n0.444888 0.523822 0.887287 O\n0.476178 0.555112 0.612713 O\n0.140439 0.292651 0.305168 O\n0.707349 0.859561 0.194832 O\n0.859561 0.707349 0.694832 O\n0.292651 0.140439 0.805168 O\n",
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"density": 6.217117336530973,
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"formula_full": "Eu4 Mo2 W4 O24",
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},
{
"id": "mp-1157680",
"created_at": "2022-09-04T14:42:12.472188Z",
"structure_string": "Ca2 Ti2 Si4 O12\n1.0\n4.527258 5.122549 0.000000\n-4.527258 5.122549 0.000000\n0.000000 1.350476 5.083882\nCa Ti Si O\n2 2 4 12\ndirect\n0.702041 0.297959 0.750000 Ca\n0.297959 0.702041 0.250000 Ca\n0.921314 0.078686 0.250000 Ti\n0.078686 0.921314 0.750000 Ti\n0.387439 0.196641 0.265706 Si\n0.803359 0.612561 0.234294 Si\n0.196641 0.387439 0.765706 Si\n0.612561 0.803359 0.734294 Si\n0.369605 0.331828 0.505793 O\n0.668172 0.630395 0.994207 O\n0.630395 0.668172 0.494207 O\n0.331828 0.369605 0.005793 O\n0.616881 0.119410 0.174638 O\n0.880590 0.383119 0.325362 O\n0.383119 0.880590 0.825362 O\n0.119410 0.616881 0.674638 O\n0.031585 0.224166 0.847940 O\n0.775834 0.968415 0.652060 O\n0.224166 0.031585 0.347940 O\n0.968415 0.775834 0.152060 O\n",
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"elements": [
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],
"chemical_system": "Ca-O-Si-Ti",
"density": 3.381791733397063,
"density_atomic": 0.08481705170811435,
"volume": 235.80164126462586,
"volume_molar": 7.100153375673006,
"formula_full": "Ca2 Ti2 Si4 O12",
"formula_reduced": "CaTi(SiO3)2",
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -155.81965303,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.005357,
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"updated_at": "2021-11-28T01:35:38.352000Z",
"spacegroup": 15
},
{
"id": "mp-1223190",
"created_at": "2022-09-04T14:42:04.200809Z",
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"elements": [
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],
"chemical_system": "Co-La-P-Pr",
"density": 6.678159025020988,
"density_atomic": 0.06299232915410935,
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"formula_full": "La3 Pr1 Co8 P8",
"formula_reduced": "La3Pr(CoP)8",
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"formation_energy": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.441000Z",
"spacegroup": 123
}
]
}