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{
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"results": [
{
"id": "mp-1072856",
"created_at": "2022-09-04T14:40:35.599577Z",
"structure_string": "Pr2 Zn4\n1.0\n-2.321221 3.757582 3.776362\n2.321221 -3.757582 3.776362\n2.321221 3.757582 -3.776362\nPr Zn\n2 4\ndirect\n0.709436 0.459436 0.250000 Pr\n0.290564 0.540564 0.750000 Pr\n0.890844 0.834068 0.056776 Zn\n0.109156 0.165932 0.943224 Zn\n0.722708 0.165932 0.556776 Zn\n0.277292 0.834068 0.443224 Zn\n",
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"spacegroup": 74
},
{
"id": "mp-1021984",
"created_at": "2022-09-04T14:39:49.090657Z",
"structure_string": "Mg12 Ti2 Ni2\n1.0\n4.822077 0.000000 0.000000\n0.000000 5.909928 0.000000\n0.000000 0.000000 10.989334\nMg Ti Ni\n12 2 2\ndirect\n0.000000 0.253358 0.426113 Mg\n0.000000 0.746642 0.426113 Mg\n0.500000 0.752651 0.085049 Mg\n0.500000 0.247349 0.085049 Mg\n0.500000 0.000000 0.311326 Mg\n0.500000 0.500000 0.328050 Mg\n0.000000 0.753358 0.926113 Mg\n0.000000 0.246642 0.926113 Mg\n0.500000 0.252651 0.585049 Mg\n0.500000 0.747349 0.585049 Mg\n0.500000 0.500000 0.811326 Mg\n0.500000 0.000000 0.828050 Mg\n0.000000 0.500000 0.177936 Ti\n0.000000 0.000000 0.677936 Ti\n0.000000 0.000000 0.160361 Ni\n0.000000 0.500000 0.660361 Ni\n",
"nsites": 16,
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"elements": [
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"Ti",
"Ni"
],
"chemical_system": "Mg-Ni-Ti",
"density": 2.67648134649172,
"density_atomic": 0.05108957366257214,
"volume": 313.175445653043,
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"formula_full": "Mg12 Ti2 Ni2",
"formula_reduced": "Mg6TiNi",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:34:40.797000Z",
"spacegroup": 38
},
{
"id": "mp-1185268",
"created_at": "2022-09-04T14:40:54.605316Z",
"structure_string": "Li6 Sc2\n1.0\n3.115728 -5.396599 0.000000\n3.115728 5.396599 0.000000\n0.000000 0.000000 4.932666\nLi Sc\n6 2\ndirect\n0.160871 0.321741 0.250000 Li\n0.678259 0.839129 0.250000 Li\n0.160871 0.839129 0.250000 Li\n0.839129 0.678259 0.750000 Li\n0.321741 0.160871 0.750000 Li\n0.839129 0.160871 0.750000 Li\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Sc"
],
"chemical_system": "Li-Sc",
"density": 1.3169654695415018,
"density_atomic": 0.04822792712885969,
"volume": 165.8789932775855,
"volume_molar": 12.48683308305892,
"formula_full": "Li6 Sc2",
"formula_reduced": "Li3Sc",
"formula_anonymous": "AB3",
"energy": -22.34163891,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.242000Z",
"spacegroup": 194
},
{
"id": "mp-1094639",
"created_at": "2022-09-04T14:48:15.352061Z",
"structure_string": "Mg1 Ga5\n1.0\n1.596159 -7.124899 0.000000\n1.596159 7.124899 0.000000\n0.000000 0.000000 5.005344\nMg Ga\n1 5\ndirect\n0.778672 0.221328 0.500000 Mg\n0.999535 0.000465 0.000000 Ga\n0.334514 0.665486 0.000000 Ga\n0.664770 0.335230 0.000000 Ga\n0.108312 0.891688 0.500000 Ga\n0.447530 0.552470 0.500000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Ga-Mg",
"density": 5.439337209852929,
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"volume": 113.84626560654353,
"volume_molar": 11.426637274715864,
"formula_full": "Mg1 Ga5",
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"formula_anonymous": "AB5",
"energy": -16.75459124,
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"updated_at": "2021-11-28T01:40:04.140000Z",
"spacegroup": 38
},
{
"id": "mp-1386790",
"created_at": "2022-09-04T14:41:56.952416Z",
"structure_string": "Li2 Mn2 F10\n1.0\n5.292527 0.000000 0.000000\n-2.331510 5.111023 0.000000\n-0.622944 -2.564381 6.629198\nLi Mn F\n2 2 10\ndirect\n0.437958 0.053459 0.239410 Li\n0.562042 0.946541 0.760590 Li\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.123557 0.264252 0.744014 F\n0.340864 0.718724 0.445141 F\n0.117455 0.792558 0.872990 F\n0.329041 0.283493 0.370369 F\n0.381013 0.174750 0.993230 F\n0.876443 0.735748 0.255986 F\n0.618987 0.825250 0.006770 F\n0.670959 0.716507 0.629631 F\n0.882545 0.207442 0.127010 F\n0.659136 0.281276 0.554859 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.905293542459112,
"density_atomic": 0.07807214784821184,
"volume": 179.32131222031768,
"volume_molar": 7.7135584532761525,
"formula_full": "Li2 Mn2 F10",
"formula_reduced": "LiMnF5",
"formula_anonymous": "ABC5",
"energy": -39.09295956,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.347000Z",
"spacegroup": 2
},
{
"id": "mp-1096022",
"created_at": "2022-09-04T14:48:23.865298Z",
"structure_string": "Li1 Ti1 Au2\n1.0\n-5.143068 5.363699 7.603641\n5.143068 -5.363699 7.603641\n5.143068 5.363699 -7.603641\nLi Ti Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ti\n0.000000 0.247616 0.247616 Au\n0.000000 0.752384 0.752384 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"Au"
],
"chemical_system": "Au-Li-Ti",
"density": 0.8881303730954536,
"density_atomic": 0.00476751130569219,
"volume": 839.0121687229527,
"volume_molar": 126.31623448506227,
"formula_full": "Li1 Ti1 Au2",
"formula_reduced": "LiTiAu2",
"formula_anonymous": "ABC2",
"energy": -11.16897913,
"energy_per_atom": -2.7922447825,
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"updated_at": "2021-11-28T01:39:09.532000Z",
"spacegroup": 71
},
{
"id": "mp-1080608",
"created_at": "2022-09-04T14:46:18.817565Z",
"structure_string": "Sr2 In6\n1.0\n3.583556 -6.206901 0.000000\n3.583556 6.206901 0.000000\n0.000000 0.000000 5.256295\nSr In\n2 6\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.844901 0.155099 0.250000 In\n0.844901 0.689803 0.250000 In\n0.310197 0.155099 0.250000 In\n0.155099 0.844901 0.750000 In\n0.155099 0.310197 0.750000 In\n0.689803 0.844901 0.750000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"In"
],
"chemical_system": "In-Sr",
"density": 6.136750769294534,
"density_atomic": 0.03421300698908178,
"volume": 233.82919842599625,
"volume_molar": 17.6019043339915,
"formula_full": "Sr2 In6",
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"energy": -22.33766359,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:21.582000Z",
"spacegroup": 194
},
{
"id": "mp-19974",
"created_at": "2022-09-04T14:40:11.017916Z",
"structure_string": "In4 Ag2\n1.0\n-3.470153 3.470153 2.929858\n3.470153 -3.470153 2.929858\n3.470153 3.470153 -2.929858\nIn Ag\n4 2\ndirect\n0.155494 0.655494 0.810987 In\n0.344506 0.155494 0.500000 In\n0.655494 0.844506 0.500000 In\n0.844506 0.344506 0.189013 In\n0.250000 0.250000 0.000000 Ag\n0.750000 0.750000 0.000000 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"In",
"Ag"
],
"chemical_system": "Ag-In",
"density": 7.942449544823205,
"density_atomic": 0.04251551461106483,
"volume": 141.1249529704264,
"volume_molar": 14.164572192271464,
"formula_full": "In4 Ag2",
"formula_reduced": "In2Ag",
"formula_anonymous": "AB2",
"energy": -16.75323626,
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"updated_at": "2021-11-28T01:34:47.736000Z",
"spacegroup": 140
},
{
"id": "mp-1074613",
"created_at": "2022-09-04T14:42:13.229259Z",
"structure_string": "Mg8 Si4\n1.0\n5.882940 0.000000 0.000000\n2.408225 5.477699 0.000000\n1.282039 2.234751 7.376695\nMg Si\n8 4\ndirect\n0.515777 0.004656 0.344588 Mg\n0.845126 0.606073 0.678008 Mg\n0.195946 0.074590 0.689414 Mg\n0.908163 0.869143 0.022664 Mg\n0.667105 0.155292 0.674178 Mg\n0.033299 0.953131 0.353441 Mg\n0.577256 0.507337 0.293896 Mg\n0.434728 0.447843 0.968777 Mg\n0.989531 0.333787 0.039870 Si\n0.082177 0.446893 0.316562 Si\n0.357549 0.631959 0.605147 Si\n0.392874 0.969767 0.013563 Si\n",
"nsites": 12,
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"elements": [
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"density": 2.143011795436842,
"density_atomic": 0.05048087053446759,
"volume": 237.71380867543832,
"volume_molar": 11.929550136993322,
"formula_full": "Mg8 Si4",
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"updated_at": "2021-11-28T01:35:39.381000Z",
"spacegroup": 1
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{
"id": "mp-1094210",
"created_at": "2022-09-04T14:39:20.545573Z",
"structure_string": "Mg3 Sn3\n1.0\n1.698311 -7.879859 0.000000\n1.698311 7.879859 0.000000\n0.000000 0.000000 5.590434\nMg Sn\n3 3\ndirect\n0.000074 0.999926 0.000000 Mg\n0.665563 0.334437 0.000000 Mg\n0.110984 0.889016 0.500000 Mg\n0.334901 0.665099 0.000000 Sn\n0.451966 0.548034 0.500000 Sn\n0.769845 0.230155 0.500000 Sn\n",
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"elements": [
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"density": 4.761466722051986,
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"volume": 149.62742058656318,
"volume_molar": 15.017956472133418,
"formula_full": "Mg3 Sn3",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy": -16.75248447,
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"updated_at": "2021-11-28T01:34:37.247000Z",
"spacegroup": 38
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{
"id": "mp-1112149",
"created_at": "2022-09-04T14:39:59.988758Z",
"structure_string": "Cs2 Na1 In1 I6\n1.0\n0.000000 6.140822 6.140822\n6.140822 0.000000 6.140822\n6.140822 6.140822 0.000000\nCs Na In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.759639 0.240361 0.240361 I\n0.240361 0.240361 0.759639 I\n0.240361 0.759639 0.759639 I\n0.240361 0.759639 0.240361 I\n0.759639 0.240361 0.759639 I\n0.759639 0.759639 0.240361 I\n",
"nsites": 10,
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"elements": [
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"Na",
"In",
"I"
],
"chemical_system": "Cs-I-In-Na",
"density": 4.177172970329832,
"density_atomic": 0.021591880973148753,
"volume": 463.13704732050934,
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"formula_full": "Cs2 Na1 In1 I6",
"formula_reduced": "Cs2NaInI6",
"formula_anonymous": "ABC2D6",
"energy": -27.91816368,
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"updated_at": "2021-11-28T01:34:43.476000Z",
"spacegroup": 225
},
{
"id": "mp-1096381",
"created_at": "2022-09-04T14:47:43.064999Z",
"structure_string": "Ag1 Sn1 Pd2\n1.0\n-5.092564 5.508295 7.787409\n5.092564 -5.508295 7.787409\n5.092564 5.508295 -7.787409\nAg Sn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n0.000000 0.262174 0.262174 Pd\n0.000000 0.737826 0.737826 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.835065372792212,
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"volume": 873.7891804030232,
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"formula_full": "Ag1 Sn1 Pd2",
"formula_reduced": "AgSnPd2",
"formula_anonymous": "ABC2",
"energy": -11.1670594,
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"updated_at": "2021-11-28T01:38:13.142000Z",
"spacegroup": 71
}
]
}