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{
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"results": [
{
"id": "mp-1026631",
"created_at": "2022-09-04T14:44:55.287668Z",
"structure_string": "Rb1 Mg14 Cd1\n1.0\n6.588831 -0.000903 0.000000\n-3.295197 5.707449 0.000000\n0.000000 0.000000 10.669748\nRb Mg Cd\n1 14 1\ndirect\n0.166702 0.333350 0.125000 Rb\n0.167102 0.333551 0.625000 Mg\n0.165612 0.832806 0.625000 Mg\n0.662727 0.324348 0.125000 Mg\n0.666735 0.334373 0.625000 Mg\n0.662727 0.838378 0.125000 Mg\n0.666735 0.832361 0.625000 Mg\n0.339421 0.159951 0.389735 Mg\n0.339421 0.159951 0.860265 Mg\n0.339421 0.679471 0.389735 Mg\n0.339421 0.679471 0.860265 Mg\n0.820201 0.160101 0.391299 Mg\n0.820201 0.160101 0.858701 Mg\n0.833842 0.666921 0.370306 Mg\n0.833842 0.666921 0.879694 Mg\n0.175892 0.837945 0.125000 Cd\n",
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"spacegroup": 38
},
{
"id": "mp-1026632",
"created_at": "2022-09-04T14:44:15.040427Z",
"structure_string": "Cs1 Ba1 Mg14\n1.0\n6.771517 0.044533 0.000000\n-3.347192 5.797506 0.000000\n0.000000 0.000000 11.092500\nCs Ba Mg\n1 1 14\ndirect\n0.173060 0.336530 0.125000 Cs\n0.180956 0.840478 0.125000 Ba\n0.158939 0.329469 0.625000 Mg\n0.157847 0.828923 0.625000 Mg\n0.673069 0.340032 0.125000 Mg\n0.670998 0.335939 0.625000 Mg\n0.673069 0.833036 0.125000 Mg\n0.670998 0.835059 0.625000 Mg\n0.341455 0.168686 0.405309 Mg\n0.341455 0.168686 0.844691 Mg\n0.341455 0.672770 0.405309 Mg\n0.341455 0.672770 0.844691 Mg\n0.816152 0.158077 0.389570 Mg\n0.816152 0.158077 0.860430 Mg\n0.821470 0.660735 0.384985 Mg\n0.821470 0.660735 0.865015 Mg\n",
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"elements": [
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"volume": 437.1218251290773,
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"formula_full": "Cs1 Ba1 Mg14",
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"updated_at": "2021-11-28T01:36:32.709000Z",
"spacegroup": 38
},
{
"id": "mp-1210218",
"created_at": "2022-09-04T14:42:49.266147Z",
"structure_string": "P4 H16 I8\n1.0\n20.586506 0.000000 0.000000\n0.000000 20.586506 0.000000\n0.000000 0.000000 12.656096\nP H I\n4 16 8\ndirect\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.250000 0.250000 0.500000 P\n0.750000 0.750000 0.500000 P\n0.585472 0.250076 0.676814 H\n0.414528 0.749924 0.676814 H\n0.750076 0.914528 0.676814 H\n0.085472 0.249924 0.323186 H\n0.914528 0.249924 0.323186 H\n0.249924 0.085472 0.676814 H\n0.914528 0.750076 0.323186 H\n0.085472 0.750076 0.323186 H\n0.250076 0.585472 0.323186 H\n0.749924 0.585472 0.323186 H\n0.749924 0.414528 0.323186 H\n0.250076 0.414528 0.323186 H\n0.414528 0.250076 0.676814 H\n0.585472 0.749924 0.676814 H\n0.750076 0.085472 0.676814 H\n0.249924 0.914528 0.676814 H\n0.249750 0.250250 0.106015 I\n0.750250 0.749750 0.106015 I\n0.750250 0.250250 0.106015 I\n0.749750 0.249750 0.893985 I\n0.250250 0.249750 0.893985 I\n0.249750 0.749750 0.106015 I\n0.250250 0.750250 0.893985 I\n0.749750 0.750250 0.893985 I\n",
"nsites": 28,
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"elements": [
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"I"
],
"chemical_system": "H-I-P",
"density": 0.3576539107447677,
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"volume": 5363.707011075396,
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"formula_full": "P4 H16 I8",
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"energy": -39.228613980000006,
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},
{
"id": "mp-980189",
"created_at": "2022-09-04T14:44:24.906214Z",
"structure_string": "Na1 Yb3\n1.0\n0.000000 4.324975 4.324975\n4.324975 0.000000 4.324975\n4.324975 4.324975 0.000000\nNa Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n",
"nsites": 4,
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"volume": 161.80085042246873,
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"formula_full": "Na1 Yb3",
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"spacegroup": 225
},
{
"id": "mp-1094867",
"created_at": "2022-09-04T14:41:15.095832Z",
"structure_string": "Mg1 Zn3\n1.0\n4.036356 0.000000 0.000000\n0.000000 4.036356 0.000000\n0.000000 0.000000 4.036356\nMg Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Zn",
"density": 5.568680787362802,
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"volume": 65.76099715869259,
"volume_molar": 9.90054953519017,
"formula_full": "Mg1 Zn3",
"formula_reduced": "MgZn3",
"formula_anonymous": "AB3",
"energy": -5.59762659,
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"band_gap": 0.0,
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"total_magnetization": 0.0002145,
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"updated_at": "2021-11-28T01:35:18.156000Z",
"spacegroup": 221
},
{
"id": "mp-1096712",
"created_at": "2022-09-04T14:39:41.791341Z",
"structure_string": "Sr1 La1 Tl2\n1.0\n-6.511275 6.796878 9.589337\n6.511275 -6.796878 9.589337\n6.511275 6.796878 -9.589337\nSr La Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 La\n0.000000 0.258279 0.258279 Tl\n0.000000 0.741721 0.741721 Tl\n",
"nsites": 4,
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],
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"density": 0.6214389162052045,
"density_atomic": 0.0023563288793596164,
"volume": 1697.55590360845,
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"formula_full": "Sr1 La1 Tl2",
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"updated_at": "2021-11-28T01:34:27.196000Z",
"spacegroup": 71
},
{
"id": "mp-1027973",
"created_at": "2022-09-04T14:39:57.793411Z",
"structure_string": "Rb1 Mg14 Zn1\n1.0\n6.532099 -0.000000 -0.000000\n-3.266049 5.656963 0.000000\n-0.000000 0.000000 10.624972\nRb Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Rb\n0.162306 0.831152 0.125000 Mg\n0.174291 0.837145 0.625000 Mg\n0.668848 0.337694 0.125000 Mg\n0.662855 0.325709 0.625000 Mg\n0.668848 0.831152 0.125000 Mg\n0.662855 0.837145 0.625000 Mg\n0.336431 0.163569 0.355317 Mg\n0.336431 0.163569 0.894683 Mg\n0.336431 0.672863 0.355317 Mg\n0.336431 0.672863 0.894683 Mg\n0.827137 0.163569 0.355317 Mg\n0.827137 0.163569 0.894683 Mg\n0.833333 0.666667 0.379680 Mg\n0.833333 0.666667 0.870320 Mg\n0.166667 0.333333 0.125000 Zn\n",
"nsites": 16,
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"elements": [
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"Mg",
"Zn"
],
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"density": 2.0772871069801258,
"density_atomic": 0.04075267227310641,
"volume": 392.61229037386966,
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"formula_full": "Rb1 Mg14 Zn1",
"formula_reduced": "RbMg14Zn",
"formula_anonymous": "ABC14",
"energy": -22.36810095,
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"updated_at": "2021-11-28T01:34:51.745000Z",
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{
"id": "mp-569103",
"created_at": "2022-09-04T14:39:40.019169Z",
"structure_string": "Mg18 Hg6\n1.0\n9.270087 -4.161962 0.000000\n9.270087 4.161962 0.000000\n7.401503 0.000000 6.962341\nMg Hg\n18 6\ndirect\n0.327211 0.081898 0.759616 Mg\n0.862940 0.862940 0.862940 Mg\n0.770682 0.037690 0.519458 Mg\n0.442881 0.442881 0.442881 Mg\n0.759616 0.327211 0.081898 Mg\n0.672789 0.240384 0.918102 Mg\n0.962310 0.229318 0.480542 Mg\n0.037690 0.519458 0.770682 Mg\n0.519458 0.770682 0.037690 Mg\n0.681165 0.681165 0.681165 Mg\n0.081898 0.759616 0.327211 Mg\n0.918102 0.672789 0.240384 Mg\n0.137060 0.137060 0.137060 Mg\n0.480542 0.962310 0.229318 Mg\n0.557119 0.557119 0.557119 Mg\n0.229318 0.480542 0.962310 Mg\n0.240384 0.918102 0.672789 Mg\n0.318835 0.318835 0.318835 Mg\n0.181664 0.818336 0.500000 Hg\n0.000000 0.326180 0.673820 Hg\n0.326180 0.673820 0.000000 Hg\n0.673820 0.000000 0.326180 Hg\n0.500000 0.181664 0.818336 Hg\n0.818336 0.500000 0.181664 Hg\n",
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"spacegroup": 155
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{
"id": "mp-1026823",
"created_at": "2022-09-04T14:45:20.494213Z",
"structure_string": "Cs1 Li1 Mg14\n1.0\n6.582687 -0.000000 0.000000\n-3.291343 5.700773 0.000000\n-0.000000 -0.000000 10.810682\nCs Li Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 Li\n0.165307 0.832653 0.125000 Mg\n0.171056 0.835528 0.625000 Mg\n0.667347 0.334693 0.125000 Mg\n0.664472 0.328944 0.625000 Mg\n0.667347 0.832653 0.125000 Mg\n0.664472 0.835528 0.625000 Mg\n0.338577 0.161423 0.355145 Mg\n0.338577 0.161423 0.894855 Mg\n0.338577 0.677154 0.355145 Mg\n0.338577 0.677154 0.894855 Mg\n0.822846 0.161423 0.355145 Mg\n0.822846 0.161423 0.894855 Mg\n0.833333 0.666667 0.380059 Mg\n0.833333 0.666667 0.869941 Mg\n",
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"formula_full": "Cs1 Li1 Mg14",
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"updated_at": "2021-11-28T01:37:06.754000Z",
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{
"id": "mp-1183662",
"created_at": "2022-09-04T14:39:08.267797Z",
"structure_string": "Cd6 Ga2\n1.0\n3.194609 -5.533224 0.000000\n3.194609 5.533224 0.000000\n0.000000 0.000000 5.057627\nCd Ga\n6 2\ndirect\n0.167966 0.335932 0.250000 Cd\n0.664068 0.832034 0.250000 Cd\n0.167966 0.832034 0.250000 Cd\n0.832034 0.664068 0.750000 Cd\n0.335932 0.167966 0.750000 Cd\n0.832034 0.167966 0.750000 Cd\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n",
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"formula_full": "Cd6 Ga2",
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{
"id": "mp-1095961",
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"structure_string": "Na1 In2 Ag1\n1.0\n-5.813494 6.148276 8.687164\n5.813494 -6.148276 8.687164\n5.813494 6.148276 -8.687164\nNa In Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.267882 0.267882 In\n0.000000 0.732118 0.732118 In\n0.000000 0.500000 0.500000 Ag\n",
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{
"id": "mp-1184912",
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"structure_string": "K6 Ho2\n1.0\n4.297408 -7.443329 0.000000\n4.297408 7.443329 0.000000\n0.000000 0.000000 7.041163\nK Ho\n6 2\ndirect\n0.172369 0.344739 0.250000 K\n0.655261 0.827631 0.250000 K\n0.172369 0.827631 0.250000 K\n0.827631 0.655261 0.750000 K\n0.344739 0.172369 0.750000 K\n0.827631 0.172369 0.750000 K\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n",
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]
}