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{
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{
"id": "mp-1074681",
"created_at": "2022-09-04T14:45:17.633575Z",
"structure_string": "Mg8 Si4\n1.0\n5.932360 0.000000 0.000000\n2.932101 5.195160 0.000000\n2.837634 1.165000 7.398641\nMg Si\n8 4\ndirect\n0.461004 0.832263 0.641285 Mg\n0.241406 0.117001 0.313408 Mg\n0.752033 0.084425 0.336606 Mg\n0.062819 0.790284 0.993073 Mg\n0.263614 0.586302 0.345043 Mg\n0.944593 0.334920 0.671753 Mg\n0.427062 0.329529 0.707457 Mg\n0.562564 0.833211 0.991517 Mg\n0.006475 0.299899 0.021576 Si\n0.966871 0.841478 0.647298 Si\n0.750145 0.602843 0.324732 Si\n0.561884 0.347955 0.006144 Si\n",
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{
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{
"id": "mp-1094662",
"created_at": "2022-09-04T14:43:39.780678Z",
"structure_string": "Mg1 Ga5\n1.0\n1.570677 5.405923 0.000000\n-1.570677 5.405923 0.000000\n0.000000 1.797177 6.803972\nMg Ga\n1 5\ndirect\n0.611380 0.611380 0.276217 Mg\n0.998927 0.998927 0.996999 Ga\n0.331769 0.331769 0.334283 Ga\n0.942201 0.942201 0.614812 Ga\n0.668102 0.668102 0.670719 Ga\n0.280954 0.280954 0.940303 Ga\n",
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"spacegroup": 8
},
{
"id": "mp-1211390",
"created_at": "2022-09-04T14:40:35.488599Z",
"structure_string": "Te7 As6\n1.0\n-7.019378 -12.157919 0.000000\n-6.250076 11.713762 0.000000\n0.000000 0.000000 -104.178726\nTe As\n7 6\ndirect\n-0.000000 -0.000000 0.000000 Te\n-0.000000 -0.000000 0.790310 Te\n-0.000000 -0.000000 0.209690 Te\n0.777969 0.768457 0.000000 Te\n0.222031 0.231543 -0.000000 Te\n0.009512 0.231543 0.000000 Te\n0.990488 0.768457 -0.000000 Te\n-0.000000 -0.000000 0.599549 As\n-0.000000 -0.000000 0.400451 As\n0.576331 0.588672 0.000000 As\n0.423669 0.411328 -0.000000 As\n0.987659 0.411328 0.000000 As\n0.012341 0.588672 -0.000000 As\n",
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"formula_full": "Te7 As6",
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{
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"structure_string": "Zr1 Ag1 Au2\n1.0\n-5.292348 5.749413 8.114990\n5.292348 -5.749413 8.114990\n5.292348 5.749413 -8.114990\nZr Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ag\n0.000000 0.247970 0.247970 Au\n0.000000 0.752030 0.752030 Au\n",
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"formula_full": "Zr1 Ag1 Au2",
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"updated_at": "2021-11-28T01:37:06.489000Z",
"spacegroup": 71
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{
"id": "mp-989610",
"created_at": "2022-09-04T14:46:31.212075Z",
"structure_string": "Cs2 Na1 In1 H6\n1.0\n0.000000 4.463617 4.463617\n4.463617 0.000000 4.463617\n4.463617 4.463617 0.000000\nCs Na In H\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.223967 0.776033 0.776033 H\n0.223967 0.776033 0.223967 H\n0.776033 0.223967 0.776033 H\n0.776033 0.776033 0.223967 H\n0.223967 0.223967 0.776033 H\n0.776033 0.223967 0.223967 H\n",
"nsites": 10,
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"elements": [
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"In",
"H"
],
"chemical_system": "Cs-H-In-Na",
"density": 3.824622593619811,
"density_atomic": 0.05622238120447189,
"volume": 177.86510969059785,
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"formula_full": "Cs2 Na1 In1 H6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "mp-1074815",
"created_at": "2022-09-04T14:48:03.159380Z",
"structure_string": "Mg14 Si8\n1.0\n3.290642 0.000000 0.000000\n0.043283 9.263410 0.000000\n0.116733 0.954511 14.280299\nMg Si\n14 8\ndirect\n0.622555 0.939060 0.126406 Mg\n0.144762 0.453923 0.506027 Mg\n0.646098 0.605817 0.647650 Mg\n0.647889 0.313680 0.364468 Mg\n0.632693 0.418787 0.171468 Mg\n0.642730 0.844402 0.770315 Mg\n0.640716 0.185150 0.577587 Mg\n0.641416 0.700677 0.430520 Mg\n0.149364 0.797803 0.956856 Mg\n0.139559 0.218411 0.050622 Mg\n0.654760 0.496206 0.968897 Mg\n0.644896 0.077206 0.902275 Mg\n0.586908 0.003643 0.385536 Mg\n0.130742 0.893089 0.577435 Mg\n0.145588 0.318316 0.856155 Si\n0.115098 0.147910 0.239923 Si\n0.139496 0.550657 0.304392 Si\n0.149586 0.358679 0.690868 Si\n0.155262 0.594299 0.817528 Si\n0.118557 0.675479 0.137682 Si\n0.116787 0.815784 0.281970 Si\n0.138187 0.087422 0.731807 Si\n",
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"formula_full": "Mg14 Si8",
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{
"id": "mp-1023208",
"created_at": "2022-09-04T14:40:30.882273Z",
"structure_string": "Ca1 Mg6 W1\n1.0\n6.297931 0.000000 0.000000\n0.000000 6.297931 0.000000\n0.000000 0.000000 4.416701\nCa Mg W\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.773910 0.773910 0.000000 Mg\n0.226090 0.226090 0.000000 Mg\n0.226090 0.773910 0.000000 Mg\n0.773910 0.226090 0.000000 Mg\n0.000000 0.000000 0.500000 W\n",
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"formula_full": "Ca1 Mg6 W1",
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{
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"structure_string": "Sm1 Zn2 Ag1\n1.0\n0.000000 3.400096 3.400096\n3.400096 0.000000 3.400096\n3.400096 3.400096 0.000000\nSm Zn Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Ag\n",
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{
"id": "mp-18531",
"created_at": "2022-09-04T14:43:59.817615Z",
"structure_string": "K8 Cd12 Te16\n1.0\n7.449860 0.000000 0.000000\n0.000000 11.610407 0.000000\n0.000000 0.000000 15.428009\nK Cd Te\n8 12 16\ndirect\n0.979270 0.250000 0.534438 K\n0.479270 0.750000 0.965562 K\n0.520730 0.250000 0.034438 K\n0.020730 0.750000 0.465562 K\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.340199 0.597944 0.256057 Cd\n0.730110 0.750000 0.702275 Cd\n0.159801 0.902056 0.756057 Cd\n0.659801 0.097944 0.743943 Cd\n0.340199 0.902056 0.256057 Cd\n0.840199 0.097944 0.243943 Cd\n0.659801 0.402056 0.743943 Cd\n0.159801 0.597944 0.756057 Cd\n0.769890 0.750000 0.202275 Cd\n0.269890 0.250000 0.297725 Cd\n0.230110 0.250000 0.797725 Cd\n0.840199 0.402056 0.243943 Cd\n0.074611 0.250000 0.135890 Te\n0.425389 0.250000 0.635890 Te\n0.925389 0.750000 0.864110 Te\n0.574611 0.750000 0.364110 Te\n0.368502 0.750000 0.645335 Te\n0.868502 0.250000 0.854665 Te\n0.631498 0.250000 0.354665 Te\n0.131498 0.750000 0.145335 Te\n0.885751 0.532889 0.633915 Te\n0.385751 0.467111 0.866085 Te\n0.114249 0.032889 0.366085 Te\n0.614249 0.967111 0.133915 Te\n0.114249 0.467111 0.366085 Te\n0.614249 0.532889 0.133915 Te\n0.885751 0.967111 0.633915 Te\n0.385751 0.032889 0.866085 Te\n",
"nsites": 36,
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{
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{
"id": "mp-1038799",
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"structure_string": "Mg6 Bi6\n1.0\n5.395907 0.000000 0.000000\n0.000000 10.320554 0.000000\n0.000000 0.000000 6.068876\nMg Bi\n6 6\ndirect\n0.000000 0.691649 0.323775 Mg\n0.000000 0.308351 0.323775 Mg\n0.500000 0.000000 0.011097 Mg\n-0.000000 0.191649 0.823775 Mg\n0.000000 0.808351 0.823775 Mg\n0.500000 0.500000 0.511097 Mg\n0.000000 0.000000 0.213856 Bi\n0.500000 0.842728 0.563748 Bi\n0.500000 0.157272 0.563748 Bi\n0.000000 0.500000 0.713856 Bi\n0.500000 0.342728 0.063748 Bi\n0.500000 0.657272 0.063748 Bi\n",
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]
}