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{
"id": "mp-1223919",
"created_at": "2022-09-04T14:44:03.057186Z",
"structure_string": "Ir1 Rh1\n1.0\n4.528352 -1.365026 0.000000\n4.528352 1.365026 0.000000\n4.116878 0.000000 2.328214\nIr Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Rh\n",
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{
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"structure_string": "Tl4 Au2\n1.0\n-3.733351 3.733351 2.881475\n3.733351 -3.733351 2.881475\n3.733351 3.733351 -2.881475\nTl Au\n4 2\ndirect\n0.154869 0.654869 0.809737 Tl\n0.345131 0.154869 0.500000 Tl\n0.654869 0.845131 0.500000 Tl\n0.845131 0.345131 0.190263 Tl\n0.250000 0.250000 0.000000 Au\n0.750000 0.750000 0.000000 Au\n",
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{
"id": "mp-1186443",
"created_at": "2022-09-04T14:41:00.874151Z",
"structure_string": "Pd1 Pb3\n1.0\n-2.404971 2.404971 4.569518\n2.404971 -2.404971 4.569518\n2.404971 2.404971 -4.569518\nPd Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pb\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n",
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"formula_full": "Pd1 Pb3",
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"updated_at": "2021-11-28T01:35:08.467000Z",
"spacegroup": 139
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{
"id": "mp-1097008",
"created_at": "2022-09-04T14:40:38.062305Z",
"structure_string": "K2 O2\n1.0\n1.891659 -4.936239 0.000000\n1.891659 4.936239 0.000000\n0.000000 0.000000 4.028989\nK O\n2 2\ndirect\n0.129945 0.870055 0.250000 K\n0.870055 0.129945 0.750000 K\n0.419610 0.580390 0.250000 O\n0.580390 0.419610 0.750000 O\n",
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"elements": [
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"density": 2.431909760936812,
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"volume": 75.24282750899658,
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"formula_full": "K2 O2",
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"updated_at": "2021-11-28T01:35:03.081000Z",
"spacegroup": 63
},
{
"id": "mp-1218924",
"created_at": "2022-09-04T14:42:46.578545Z",
"structure_string": "Sn1 Te2 Pb1\n1.0\n7.606714 -2.294548 0.000000\n7.606714 2.294548 0.000000\n6.914569 0.000000 3.913538\nSn Te Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.247552 0.247552 0.247552 Te\n0.752448 0.752448 0.752448 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pb-Sn-Te",
"density": 7.0633977179900596,
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"volume": 136.61355278554396,
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"formula_full": "Sn1 Te2 Pb1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:50.252000Z",
"spacegroup": 166
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{
"id": "mp-1206712",
"created_at": "2022-09-04T14:45:21.990197Z",
"structure_string": "Er1 Ni1 Bi1\n1.0\n0.000000 3.225031 3.225031\n3.225031 0.000000 3.225031\n3.225031 3.225031 0.000000\nEr Ni Bi\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
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"elements": [
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"Ni",
"Bi"
],
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"density": 10.765633278083822,
"density_atomic": 0.04471874206330192,
"volume": 67.08596578484541,
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"formula_full": "Er1 Ni1 Bi1",
"formula_reduced": "ErNiBi",
"formula_anonymous": "ABC",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.668000Z",
"spacegroup": 216
},
{
"id": "mp-1001785",
"created_at": "2022-09-04T14:45:05.763677Z",
"structure_string": "Mo1 P1\n1.0\n0.000000 2.479623 2.479623\n2.479623 0.000000 2.479623\n2.479623 2.479623 0.000000\nMo P\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
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"P"
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"density": 6.911476750069492,
"density_atomic": 0.06559081569541601,
"volume": 30.49207390997236,
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"formula_full": "Mo1 P1",
"formula_reduced": "MoP",
"formula_anonymous": "AB",
"energy": -16.22162707,
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"updated_at": "2021-11-28T01:36:48.326000Z",
"spacegroup": 225
},
{
"id": "mp-1098323",
"created_at": "2022-09-04T14:40:12.502261Z",
"structure_string": "Sr1 Ce1 Mg6\n1.0\n3.776594 -5.325790 0.000000\n3.776594 5.325790 0.000000\n0.000000 0.000000 5.186564\nSr Ce Mg\n1 1 6\ndirect\n0.343832 0.656168 0.500000 Sr\n0.862383 0.137617 0.500000 Ce\n0.360954 0.169898 0.500000 Mg\n0.830102 0.639046 0.500000 Mg\n0.153220 0.336899 0.000000 Mg\n0.663101 0.846780 0.000000 Mg\n0.654240 0.345760 0.000000 Mg\n0.132169 0.867831 0.000000 Mg\n",
"nsites": 8,
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"elements": [
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"Ce",
"Mg"
],
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"density": 2.9731879637788303,
"density_atomic": 0.038343867332683315,
"volume": 208.63831836756353,
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"formula_full": "Sr1 Ce1 Mg6",
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"updated_at": "2021-11-28T01:34:46.828000Z",
"spacegroup": 38
},
{
"id": "mp-1096880",
"created_at": "2022-09-04T14:40:28.274783Z",
"structure_string": "Ca2 Zn2 Pb2\n1.0\n2.405856 -4.167065 0.000000\n2.405856 4.167065 0.000000\n0.000000 0.000000 7.690777\nCa Zn Pb\n2 2 2\ndirect\n0.000000 0.000000 0.989808 Ca\n0.000000 0.000000 0.489808 Ca\n0.666667 0.333333 0.302550 Zn\n0.333333 0.666667 0.802550 Zn\n0.666667 0.333333 0.707642 Pb\n0.333333 0.666667 0.207642 Pb\n",
"nsites": 6,
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"elements": [
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"Zn",
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],
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"density": 6.734243255679157,
"density_atomic": 0.03890909517676975,
"volume": 154.2055905628521,
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"formula_full": "Ca2 Zn2 Pb2",
"formula_reduced": "CaZnPb",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:50.535000Z",
"spacegroup": 186
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{
"id": "mp-1184995",
"created_at": "2022-09-04T14:44:59.200063Z",
"structure_string": "La3 Cd1\n1.0\n5.081674 0.000000 0.000000\n0.000000 5.081674 0.000000\n0.000000 0.000000 5.081674\nLa Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"density": 6.695591585243606,
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"volume": 131.2261544521772,
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"spacegroup": 221
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{
"id": "mp-864952",
"created_at": "2022-09-04T14:48:27.423243Z",
"structure_string": "Mg6 Ag2\n1.0\n3.083771 -5.341248 0.000000\n3.083771 5.341248 0.000000\n0.000000 0.000000 4.916206\nMg Ag\n6 2\ndirect\n0.170451 0.340902 0.250000 Mg\n0.170451 0.829549 0.250000 Mg\n0.659098 0.829549 0.250000 Mg\n0.340902 0.170451 0.750000 Mg\n0.829549 0.170451 0.750000 Mg\n0.829549 0.659098 0.750000 Mg\n0.666667 0.333333 0.250000 Ag\n0.333333 0.666667 0.750000 Ag\n",
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{
"id": "mp-569095",
"created_at": "2022-09-04T14:44:13.970746Z",
"structure_string": "Rb6 Bi2\n1.0\n3.269421 -5.662804 0.000000\n3.269421 5.662804 0.000000\n0.000000 0.000000 11.592417\nRb Bi\n6 2\ndirect\n0.333333 0.666667 0.918322 Rb\n0.666667 0.333333 0.418322 Rb\n0.000000 0.000000 0.250000 Rb\n0.666667 0.333333 0.081678 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.581678 Rb\n0.666667 0.333333 0.750000 Bi\n0.333333 0.666667 0.250000 Bi\n",
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"formula_full": "Rb6 Bi2",
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"updated_at": "2021-11-28T01:36:35.457000Z",
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}
]
}