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{
"id": "mp-2809",
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"structure_string": "Sb8 S12\n1.0\n3.870340 0.000000 0.000000\n0.000000 11.230801 0.000000\n0.000000 0.000000 12.133897\nSb S\n8 12\ndirect\n0.750000 0.466596 0.859054 Sb\n0.250000 0.533404 0.140946 Sb\n0.250000 0.966596 0.640946 Sb\n0.750000 0.033404 0.359054 Sb\n0.250000 0.171810 0.966038 Sb\n0.750000 0.828190 0.033962 Sb\n0.750000 0.671810 0.533962 Sb\n0.250000 0.328190 0.466038 Sb\n0.750000 0.057165 0.875896 S\n0.250000 0.942835 0.124104 S\n0.250000 0.557165 0.624104 S\n0.750000 0.442835 0.375896 S\n0.750000 0.375107 0.045291 S\n0.250000 0.624893 0.954709 S\n0.250000 0.875107 0.454709 S\n0.750000 0.124893 0.545291 S\n0.250000 0.187940 0.300800 S\n0.750000 0.812060 0.699200 S\n0.750000 0.687940 0.199200 S\n0.250000 0.312060 0.800800 S\n",
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{
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"spacegroup": 2
},
{
"id": "mp-1189633",
"created_at": "2022-09-04T14:48:10.191046Z",
"structure_string": "Sb8 S12\n1.0\n3.877402 0.000000 0.000000\n0.000000 11.214265 0.000000\n0.000000 0.000000 12.201114\nSb S\n8 12\ndirect\n0.500000 0.174301 0.285223 Sb\n0.000000 0.674301 0.714777 Sb\n0.000000 0.466334 0.395577 Sb\n0.500000 0.966334 0.604423 Sb\n0.000000 0.830639 0.219325 Sb\n0.500000 0.330639 0.780675 Sb\n0.500000 0.532307 0.114879 Sb\n0.000000 0.032307 0.885121 Sb\n0.000000 0.055835 0.372113 S\n0.500000 0.555835 0.627887 S\n0.500000 0.309834 0.452532 S\n0.000000 0.809834 0.547468 S\n0.000000 0.372671 0.210419 S\n0.500000 0.872671 0.789581 S\n0.500000 0.940827 0.126013 S\n0.000000 0.440827 0.873987 S\n0.000000 0.685352 0.056748 S\n0.500000 0.185352 0.943252 S\n0.500000 0.622940 0.300716 S\n0.000000 0.122940 0.699284 S\n",
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"elements": [
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"density": 4.253169420951939,
"density_atomic": 0.03769804827274574,
"volume": 530.531444368149,
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"formula_full": "Sb8 S12",
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"spacegroup": 31
},
{
"id": "mp-1187148",
"created_at": "2022-09-04T14:44:20.971818Z",
"structure_string": "Sr3 Zr1\n1.0\n-2.775971 2.775971 5.482301\n2.775971 -2.775971 5.482301\n2.775971 2.775971 -5.482301\nSr Zr\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Zr\n",
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"elements": [
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"density": 3.4793865705540283,
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"volume": 168.98677480506885,
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"updated_at": "2021-11-28T01:36:38.379000Z",
"spacegroup": 139
},
{
"id": "mp-1187139",
"created_at": "2022-09-04T14:40:18.065603Z",
"structure_string": "Sr3 Zr1\n1.0\n5.539239 0.000000 0.000000\n0.000000 5.539239 0.000000\n0.000000 0.000000 5.539239\nSr Zr\n3 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Zr\n",
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"density": 3.4594343103351584,
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"volume": 169.96140470175033,
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"updated_at": "2021-11-28T01:34:53.568000Z",
"spacegroup": 221
},
{
"id": "mp-631390",
"created_at": "2022-09-04T14:46:35.923821Z",
"structure_string": "Sr1 Zr1 Zn1\n1.0\n0.000000 3.485588 3.485588\n3.485588 0.000000 3.485588\n3.485588 3.485588 0.000000\nSr Zr Zn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Zn\n",
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"elements": [
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],
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"density": 4.788845800294944,
"density_atomic": 0.03542118643039453,
"volume": 84.69507383371362,
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"formula_full": "Sr1 Zr1 Zn1",
"formula_reduced": "SrZrZn",
"formula_anonymous": "ABC",
"energy": -8.8541221,
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{
"id": "mp-1211218",
"created_at": "2022-09-04T14:48:08.215551Z",
"structure_string": "Sr8 Zn22\n1.0\n0.000000 0.000000 20.313264\n-4.483298 4.483298 10.156632\n-4.483298 -4.483298 10.156632\nSr Zn\n8 22\ndirect\n0.457485 0.279674 0.720326 Sr\n0.457485 0.720326 0.279674 Sr\n0.427811 0.779674 0.779674 Sr\n0.792516 0.779674 0.220326 Sr\n0.792516 0.220326 0.779674 Sr\n0.987158 0.220326 0.220326 Sr\n0.822189 0.720326 0.720326 Sr\n0.262842 0.279674 0.279674 Sr\n0.291482 0.909375 0.625856 Zn\n0.826714 0.090625 0.374144 Zn\n0.167338 0.874144 0.409375 Zn\n0.958518 0.874144 0.590625 Zn\n0.958518 0.590625 0.874144 Zn\n0.450857 0.125856 0.590625 Zn\n0.423286 0.125856 0.409375 Zn\n0.423286 0.409375 0.125856 Zn\n0.082662 0.090625 0.625856 Zn\n0.082662 0.625856 0.090625 Zn\n0.799143 0.909375 0.374144 Zn\n0.799143 0.374144 0.909375 Zn\n0.291482 0.625856 0.909375 Zn\n0.826714 0.374144 0.090625 Zn\n0.450857 0.590625 0.125856 Zn\n0.167338 0.409375 0.874144 Zn\n0.000000 0.000000 0.000000 Zn\n0.250000 0.500000 0.500000 Zn\n0.125000 0.750000 0.250000 Zn\n0.125000 0.250000 0.750000 Zn\n0.625000 0.250000 0.250000 Zn\n0.125000 0.750000 0.750000 Zn\n",
"nsites": 30,
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"elements": [
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{
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"structure_string": "Sr1 Zn5\n1.0\n2.799085 -4.848157 0.000000\n2.799085 4.848157 0.000000\n0.000000 0.000000 4.236977\nSr Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n",
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},
{
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"structure_string": "Sr2 Zn4\n1.0\n-2.390177 3.900406 3.920878\n2.390177 -3.900406 3.920878\n2.390177 3.900406 -3.920878\nSr Zn\n2 4\ndirect\n0.298900 0.048900 0.250000 Sr\n0.701100 0.951100 0.750000 Sr\n0.728144 0.664980 0.063164 Zn\n0.271856 0.335020 0.936836 Zn\n0.101816 0.664980 0.436836 Zn\n0.898184 0.335020 0.563164 Zn\n",
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{
"id": "mp-1187138",
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"structure_string": "Sr3 Zn1\n1.0\n5.479942 0.000000 0.000000\n0.000000 5.479942 0.000000\n0.000000 0.000000 5.479942\nSr Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zn\n",
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{
"id": "mp-13365",
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"structure_string": "Sr4 Zn8\n1.0\n2.968370 -5.141368 0.000000\n2.968370 5.141368 0.000000\n0.000000 0.000000 9.070907\nSr Zn\n4 8\ndirect\n0.333333 0.666667 0.447012 Sr\n0.666667 0.333333 0.947012 Sr\n0.666667 0.333333 0.552988 Sr\n0.333333 0.666667 0.052988 Sr\n0.157034 0.314068 0.750000 Zn\n0.842966 0.157034 0.250000 Zn\n0.314068 0.157034 0.250000 Zn\n0.685932 0.842966 0.750000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.842966 0.685932 0.250000 Zn\n0.157034 0.842966 0.750000 Zn\n",
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"elements": [
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{
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}
]
}