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{
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"results": [
{
"id": "mp-1189496",
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"structure_string": "Rb12 Pd4\n1.0\n-5.834009 5.834009 6.094229\n5.834009 -5.834009 6.094229\n5.834009 5.834009 -6.094229\nRb Pd\n12 4\ndirect\n0.308589 0.308589 0.617178 Rb\n0.691411 0.691411 0.382822 Rb\n0.308589 0.691411 0.000000 Rb\n0.691411 0.308589 0.000000 Rb\n0.821823 0.080407 0.258585 Rb\n0.821823 0.563238 0.741415 Rb\n0.080407 0.821823 0.258585 Rb\n0.563238 0.821823 0.741415 Rb\n0.178177 0.919593 0.741415 Rb\n0.178177 0.436762 0.258585 Rb\n0.919593 0.178177 0.741415 Rb\n0.436762 0.178177 0.258585 Rb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n",
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{
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"structure_string": "Sr2 Ca1 I6\n1.0\n4.075578 -7.059108 0.000000\n4.075578 7.059108 0.000000\n0.000000 0.000000 7.189896\nSr Ca I\n2 1 6\ndirect\n0.333333 0.666667 0.500000 Sr\n0.666667 0.333333 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.000000 0.671051 0.757836 I\n0.000000 0.328949 0.242164 I\n0.328949 0.328949 0.757836 I\n0.671051 0.671051 0.242164 I\n0.328949 0.000000 0.242164 I\n0.671051 0.000000 0.757836 I\n",
"nsites": 9,
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"spacegroup": 162
},
{
"id": "mp-1112651",
"created_at": "2022-09-04T14:39:08.442262Z",
"structure_string": "Cs3 In1 Br6\n1.0\n0.000000 6.114920 6.114920\n6.114920 0.000000 6.114920\n6.114920 6.114920 0.000000\nCs In Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 In\n0.778282 0.221718 0.221718 Br\n0.221718 0.221718 0.778282 Br\n0.221718 0.778282 0.778282 Br\n0.221718 0.778282 0.221718 Br\n0.778282 0.221718 0.778282 Br\n0.778282 0.778282 0.221718 Br\n",
"nsites": 10,
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"volume": 457.30119323681487,
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"formula_full": "Cs3 In1 Br6",
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"formula_anonymous": "AB3C6",
"energy": -32.55904734,
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"updated_at": "2021-11-28T01:34:38.472000Z",
"spacegroup": 225
},
{
"id": "mp-989539",
"created_at": "2022-09-04T14:47:56.028362Z",
"structure_string": "Rb2 Al1 Tl1 H6\n1.0\n0.000000 4.343365 4.343365\n4.343365 0.000000 4.343365\n4.343365 4.343365 0.000000\nRb Al Tl H\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Tl\n0.294156 0.705844 0.705844 H\n0.294156 0.705844 0.294156 H\n0.705844 0.294156 0.705844 H\n0.705844 0.705844 0.294156 H\n0.294156 0.294156 0.705844 H\n0.705844 0.294156 0.294156 H\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Al-H-Rb-Tl",
"density": 4.13781086988407,
"density_atomic": 0.061022644188122324,
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"formula_full": "Rb2 Al1 Tl1 H6",
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"updated_at": "2021-11-28T01:38:16.121000Z",
"spacegroup": 225
},
{
"id": "mp-1245886",
"created_at": "2022-09-04T14:39:17.018306Z",
"structure_string": "Na2 Cr1 N2\n1.0\n2.972368 0.000101 -0.006621\n-1.486097 2.573995 0.000000\n-0.024339 -0.014052 8.801390\nNa Cr N\n2 1 2\ndirect\n0.672810 0.336405 0.305028 Na\n0.327190 0.663595 0.694972 Na\n0.000000 0.000000 0.000000 Cr\n0.664337 0.332169 0.879793 N\n0.335663 0.667831 0.120207 N\n",
"nsites": 5,
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"elements": [
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"volume": 67.3389739455605,
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"formula_full": "Na2 Cr1 N2",
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"updated_at": "2021-11-28T01:34:30.858000Z",
"spacegroup": 164
},
{
"id": "mp-568024",
"created_at": "2022-09-04T14:41:04.461517Z",
"structure_string": "I8 Cl8\n1.0\n8.485485 0.000000 0.000000\n0.000000 8.905110 0.000000\n0.000000 0.697328 9.318190\nI Cl\n8 8\ndirect\n0.475852 0.367897 0.200363 I\n0.117504 0.745586 0.486337 I\n0.524148 0.632103 0.799637 I\n0.617504 0.754414 0.513663 I\n0.024148 0.867897 0.200363 I\n0.382496 0.245586 0.486337 I\n0.975852 0.132103 0.799637 I\n0.882496 0.254414 0.513663 I\n0.707794 0.108710 0.886543 Cl\n0.704798 0.864683 0.264845 Cl\n0.204798 0.635317 0.735155 Cl\n0.792206 0.608710 0.886543 Cl\n0.795202 0.364683 0.264845 Cl\n0.207794 0.391290 0.113457 Cl\n0.292206 0.891290 0.113457 Cl\n0.295202 0.135317 0.735155 Cl\n",
"nsites": 16,
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"elements": [
"I",
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],
"chemical_system": "Cl-I",
"density": 3.063118790771765,
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"volume": 704.1213615392578,
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"formula_full": "I8 Cl8",
"formula_reduced": "ICl",
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"energy": -34.26773778,
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"updated_at": "2021-11-28T01:35:13.407000Z",
"spacegroup": 14
},
{
"id": "mp-1019266",
"created_at": "2022-09-04T14:39:43.222672Z",
"structure_string": "Sm2 Te4\n1.0\n4.487713 0.000000 0.000000\n0.000000 4.487713 0.000000\n0.000000 0.000000 9.050855\nSm Te\n2 4\ndirect\n0.000000 0.500000 0.729057 Sm\n0.500000 0.000000 0.270943 Sm\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500000 0.370680 Te\n0.500000 0.000000 0.629320 Te\n",
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"density_atomic": 0.032916336480303544,
"volume": 182.28030946245417,
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"formula_full": "Sm2 Te4",
"formula_reduced": "SmTe2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:34:27.206000Z",
"spacegroup": 129
},
{
"id": "mp-1186148",
"created_at": "2022-09-04T14:42:09.048355Z",
"structure_string": "Na1 Li5 N2\n1.0\n3.743921 0.000000 0.000000\n0.000000 3.831430 0.000000\n0.000000 0.362039 6.548252\nNa Li N\n1 5 2\ndirect\n0.500000 0.179533 0.892510 Na\n0.000000 0.956560 0.638675 Li\n0.000000 0.579013 0.004254 Li\n0.500000 0.034053 0.259460 Li\n0.500000 0.502494 0.552627 Li\n0.000000 0.508413 0.349343 Li\n0.500000 0.543994 0.206241 N\n0.000000 0.451940 0.678893 N\n",
"nsites": 8,
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"elements": [
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"formula_full": "Na1 Li5 N2",
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{
"id": "mp-977138",
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"structure_string": "Na1 Tc3\n1.0\n0.000000 3.112094 3.112094\n3.112094 0.000000 3.112094\n3.112094 3.112094 0.000000\nNa Tc\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n0.500000 0.500000 0.500000 Tc\n",
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{
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"formula_full": "Al1 Cu1 Sn1 Se4",
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"updated_at": "2021-11-28T01:36:23.276000Z",
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{
"id": "mp-1114116",
"created_at": "2022-09-04T14:45:08.335554Z",
"structure_string": "Rb2 Tl1 As1 Br6\n1.0\n0.000000 5.788886 5.788886\n5.788886 0.000000 5.788886\n5.788886 5.788886 0.000000\nRb Tl As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.769419 0.230581 0.230581 Br\n0.230581 0.230581 0.769419 Br\n0.230581 0.769419 0.769419 Br\n0.230581 0.769419 0.230581 Br\n0.769419 0.230581 0.769419 Br\n0.769419 0.769419 0.230581 Br\n",
"nsites": 10,
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"elements": [
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"As",
"Br"
],
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"density_atomic": 0.025774189243764605,
"volume": 387.98504602503607,
"volume_molar": 23.365005599378456,
"formula_full": "Rb2 Tl1 As1 Br6",
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{
"id": "mp-1186466",
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"structure_string": "Pr1 Nd1 Ir2\n1.0\n0.000000 3.562414 3.562414\n3.562414 0.000000 3.562414\n3.562414 3.562414 0.000000\nPr Nd Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"density": 12.296762230882148,
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"volume": 90.41972092371323,
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"formula_full": "Pr1 Nd1 Ir2",
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}
]
}