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{
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{
"id": "mp-23177",
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"structure_string": "Hg2 Br2\n1.0\n-2.480293 2.480293 5.668254\n2.480293 -2.480293 5.668254\n2.480293 2.480293 -5.668254\nHg Br\n2 2\ndirect\n0.884055 0.884055 0.000000 Hg\n0.115945 0.115945 0.000000 Hg\n0.656804 0.656804 0.000000 Br\n0.343196 0.343196 0.000000 Br\n",
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{
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{
"id": "mp-1018138",
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"updated_at": "2021-11-28T01:39:30.813000Z",
"spacegroup": 164
},
{
"id": "mp-1183318",
"created_at": "2022-09-04T14:46:20.196028Z",
"structure_string": "Ba1 Na1 Tl2\n1.0\n0.000000 4.116368 4.116368\n4.116368 0.000000 4.116368\n4.116368 4.116368 0.000000\nBa Na Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
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"volume": 139.4994758713787,
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"formula_full": "Ba1 Na1 Tl2",
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"updated_at": "2021-11-28T01:37:23.030000Z",
"spacegroup": 225
},
{
"id": "mp-1110902",
"created_at": "2022-09-04T14:39:46.153999Z",
"structure_string": "K2 Li1 Bi1 Br6\n1.0\n0.000000 5.586792 5.586792\n5.586792 0.000000 5.586792\n5.586792 5.586792 0.000000\nK Li Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.744242 0.255758 0.255758 Br\n0.255758 0.255758 0.744242 Br\n0.255758 0.744242 0.744242 Br\n0.255758 0.744242 0.255758 Br\n0.744242 0.255758 0.744242 Br\n0.744242 0.744242 0.255758 Br\n",
"nsites": 10,
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"formula_full": "K2 Li1 Bi1 Br6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1025728",
"created_at": "2022-09-04T14:47:12.769331Z",
"structure_string": "Te2 Mo3 Se4\n1.0\n1.699554 -2.943714 0.000000\n1.699554 2.943714 0.000000\n0.000000 0.000000 31.373546\nTe Mo Se\n2 3 4\ndirect\n0.000000 0.000000 0.059574 Te\n0.000000 0.000000 0.940426 Te\n0.000000 0.000000 0.768647 Mo\n0.000000 0.000000 0.231353 Mo\n0.333333 0.666667 0.000000 Mo\n0.333333 0.666667 0.716187 Se\n0.333333 0.666667 0.178862 Se\n0.333333 0.666667 0.821138 Se\n0.333333 0.666667 0.283813 Se\n",
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"density_atomic": 0.028669381566261542,
"volume": 313.92375797151146,
"volume_molar": 21.005478426806828,
"formula_full": "Te2 Mo3 Se4",
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"formula_anonymous": "A2B3C4",
"energy": -60.17401715,
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"spacegroup": 187
},
{
"id": "mp-1039390",
"created_at": "2022-09-04T14:43:36.898685Z",
"structure_string": "Ca4 Mg2\n1.0\n3.298479 5.330541 0.000000\n-3.298479 5.330541 0.000000\n0.000000 3.043017 5.951415\nCa Mg\n4 2\ndirect\n0.208604 0.454875 0.220732 Ca\n0.545125 0.791396 0.279268 Ca\n0.454875 0.208604 0.720732 Ca\n0.791396 0.545125 0.779268 Ca\n0.081274 0.918726 0.750000 Mg\n0.918726 0.081274 0.250000 Mg\n",
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"volume": 209.2836217884125,
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"formula_full": "Ca4 Mg2",
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"updated_at": "2021-11-28T01:36:19.954000Z",
"spacegroup": 15
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{
"id": "mp-1112902",
"created_at": "2022-09-04T14:47:46.120141Z",
"structure_string": "Cs2 Hg1 Sb1 Cl6\n1.0\n0.000000 5.587089 5.587089\n5.587089 0.000000 5.587089\n5.587089 5.587089 0.000000\nCs Hg Sb Cl\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 Hg\n0.000000 0.000000 0.000000 Sb\n0.763478 0.236522 0.236522 Cl\n0.236522 0.236522 0.763478 Cl\n0.236522 0.763478 0.763478 Cl\n0.236522 0.763478 0.236522 Cl\n0.763478 0.236522 0.763478 Cl\n0.763478 0.763478 0.236522 Cl\n",
"nsites": 10,
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"elements": [
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],
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"volume": 348.8082628513751,
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"formula_full": "Cs2 Hg1 Sb1 Cl6",
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{
"id": "mp-567710",
"created_at": "2022-09-04T14:43:43.399764Z",
"structure_string": "K4 Pr12 Te32\n1.0\n13.009846 0.000000 0.000000\n0.000000 9.057277 0.000000\n0.000000 2.249905 14.208897\nK Pr Te\n4 12 32\ndirect\n0.908032 0.758319 0.963344 K\n0.591968 0.258319 0.963344 K\n0.091968 0.241681 0.036656 K\n0.408032 0.741681 0.036656 K\n0.915210 0.580192 0.650154 Pr\n0.584790 0.080192 0.650154 Pr\n0.415962 0.404212 0.352051 Pr\n0.750682 0.912977 0.346111 Pr\n0.084038 0.904212 0.352051 Pr\n0.749318 0.412977 0.346111 Pr\n0.415210 0.919808 0.349846 Pr\n0.584038 0.595788 0.647949 Pr\n0.250682 0.587023 0.653889 Pr\n0.915962 0.095788 0.647949 Pr\n0.249318 0.087023 0.653889 Pr\n0.084790 0.419808 0.349846 Pr\n0.249304 0.956656 0.174837 Te\n0.085391 0.356278 0.584285 Te\n0.420263 0.351445 0.586970 Te\n0.920001 0.966605 0.170303 Te\n0.579999 0.466605 0.170303 Te\n0.750696 0.043344 0.825163 Te\n0.920263 0.148555 0.413030 Te\n0.079737 0.851445 0.586970 Te\n0.254388 0.644983 0.419289 Te\n0.420001 0.533395 0.829697 Te\n0.227089 0.791454 0.836249 Te\n0.419191 0.051890 0.830280 Te\n0.245612 0.144983 0.419289 Te\n0.585391 0.143722 0.415715 Te\n0.727089 0.708546 0.163751 Te\n0.579737 0.648555 0.413030 Te\n0.080809 0.551890 0.830280 Te\n0.272911 0.291454 0.836249 Te\n0.903802 0.292760 0.827606 Te\n0.754388 0.855017 0.580711 Te\n0.414609 0.856278 0.584285 Te\n0.096198 0.707240 0.172394 Te\n0.403802 0.207240 0.172394 Te\n0.772911 0.208546 0.163751 Te\n0.079999 0.033395 0.829697 Te\n0.745612 0.355017 0.580711 Te\n0.914609 0.643722 0.415715 Te\n0.749304 0.543344 0.825163 Te\n0.596198 0.792760 0.827606 Te\n0.250696 0.456656 0.174837 Te\n0.580809 0.948110 0.169720 Te\n0.919191 0.448110 0.169720 Te\n",
"nsites": 48,
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{
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"structure_string": "Tb2 Nd6\n1.0\n3.661923 -6.342637 0.000000\n3.661923 6.342637 0.000000\n0.000000 0.000000 6.007347\nTb Nd\n2 6\ndirect\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.167273 0.334547 0.250000 Nd\n0.665453 0.832727 0.250000 Nd\n0.167273 0.832727 0.250000 Nd\n0.832727 0.665453 0.750000 Nd\n0.334547 0.167273 0.750000 Nd\n0.832727 0.167273 0.750000 Nd\n",
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{
"id": "mp-1209174",
"created_at": "2022-09-04T14:43:13.394643Z",
"structure_string": "Rb4 Sr4 Cl12\n1.0\n-7.849473 0.000000 -0.024095\n-0.039181 0.000000 -7.919239\n0.000000 -11.223316 0.000000\nRb Sr Cl\n4 4 12\ndirect\n0.025799 0.510255 0.750000 Rb\n0.974201 0.489745 0.250000 Rb\n0.524904 0.992846 0.750000 Rb\n0.475096 0.007154 0.250000 Rb\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.803426 0.302388 0.950447 Cl\n0.196574 0.697612 0.049553 Cl\n0.196574 0.697612 0.450447 Cl\n0.803426 0.302388 0.549553 Cl\n0.690325 0.808293 0.475208 Cl\n0.309675 0.191707 0.524792 Cl\n0.309675 0.191707 0.975208 Cl\n0.690325 0.808293 0.024792 Cl\n0.454345 0.570756 0.750000 Cl\n0.545655 0.429244 0.250000 Cl\n0.001944 0.922283 0.750000 Cl\n0.998056 0.077717 0.250000 Cl\n",
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{
"id": "mp-1183863",
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]
}