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{
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"results": [
{
"id": "mp-1097649",
"created_at": "2022-09-04T14:46:10.741728Z",
"structure_string": "Y1 Zn1 Hg2\n1.0\n-5.841188 6.227087 8.804754\n5.841188 -6.227087 8.804754\n5.841188 6.227087 -8.804754\nY Zn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.236080 0.236080 Hg\n0.000000 0.763920 0.763920 Hg\n",
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"volume": 1281.0419023580328,
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{
"id": "mp-640416",
"created_at": "2022-09-04T14:42:43.700715Z",
"structure_string": "Rb8\n1.0\n9.369484 0.000000 0.000000\n-0.337446 9.441180 0.000000\n-4.231228 -4.217970 8.556800\nRb\n8\ndirect\n0.212811 0.615707 0.771238 Rb\n0.175624 0.017892 0.210735 Rb\n0.392237 0.100566 0.722560 Rb\n0.700065 0.224497 0.250802 Rb\n0.717570 0.730962 0.274134 Rb\n0.212472 0.547255 0.279284 Rb\n0.913153 0.153820 0.767250 Rb\n0.699346 0.630266 0.748735 Rb\n",
"nsites": 8,
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"elements": [
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"formula_full": "Rb8",
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"energy": -7.39045015,
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"updated_at": "2021-11-28T01:35:50.872000Z",
"spacegroup": 1
},
{
"id": "mp-1228441",
"created_at": "2022-09-04T14:41:03.637145Z",
"structure_string": "Ba7 Hg31\n1.0\n5.723554 -9.913486 0.000000\n5.723554 9.913486 0.000000\n0.000000 0.000000 10.169554\nBa Hg\n7 31\ndirect\n0.666667 0.333333 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.835378 0.670755 0.500000 Ba\n0.329245 0.164622 0.500000 Ba\n0.835378 0.164622 0.500000 Ba\n0.333333 0.666667 0.785398 Ba\n0.333333 0.666667 0.214602 Ba\n0.066381 0.666920 0.000000 Hg\n0.333080 0.399460 0.000000 Hg\n0.600540 0.933619 0.000000 Hg\n0.600540 0.666920 0.000000 Hg\n0.333080 0.933619 0.000000 Hg\n0.066381 0.399460 0.000000 Hg\n0.834120 0.668241 0.837754 Hg\n0.331759 0.165880 0.837754 Hg\n0.834120 0.165880 0.837754 Hg\n0.834120 0.668241 0.162246 Hg\n0.331759 0.165880 0.162246 Hg\n0.834120 0.165880 0.162246 Hg\n0.666667 0.333333 0.647849 Hg\n0.000000 0.000000 0.649440 Hg\n0.000000 0.000000 0.350560 Hg\n0.666667 0.333333 0.352151 Hg\n0.953823 0.476911 0.731893 Hg\n0.523089 0.476911 0.731893 Hg\n0.523089 0.046177 0.731893 Hg\n0.149665 0.850335 0.715546 Hg\n0.700670 0.850335 0.715546 Hg\n0.149665 0.299330 0.715546 Hg\n0.700670 0.850335 0.284454 Hg\n0.149665 0.850335 0.284454 Hg\n0.149665 0.299330 0.284454 Hg\n0.523089 0.476911 0.268107 Hg\n0.953823 0.476911 0.268107 Hg\n0.523089 0.046177 0.268107 Hg\n0.135977 0.567989 0.500000 Hg\n0.432011 0.567989 0.500000 Hg\n0.432011 0.864023 0.500000 Hg\n",
"nsites": 38,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ba-Hg",
"density": 10.33056302078605,
"density_atomic": 0.03292755713369121,
"volume": 1154.0485632053983,
"volume_molar": 18.289060240785965,
"formula_full": "Ba7 Hg31",
"formula_reduced": "Ba7Hg31",
"formula_anonymous": "A7B31",
"energy": -35.17496276,
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"updated_at": "2021-11-28T01:35:09.362000Z",
"spacegroup": 187
},
{
"id": "mp-1096679",
"created_at": "2022-09-04T14:39:12.664342Z",
"structure_string": "Mg2 In1 Ga1\n1.0\n-5.440436 5.841419 8.607575\n5.440436 -5.841419 8.607575\n5.440436 5.841419 -8.607575\nMg In Ga\n2 1 1\ndirect\n0.000000 0.243469 0.243469 Mg\n0.000000 0.756531 0.756531 Mg\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"density": 0.35382906799296165,
"density_atomic": 0.0036556711370220804,
"volume": 1094.190327869156,
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"formula_full": "Mg2 In1 Ga1",
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"formula_anonymous": "ABC2",
"energy": -3.70612858,
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"updated_at": "2021-11-28T01:34:36.639000Z",
"spacegroup": 71
},
{
"id": "mp-1179802",
"created_at": "2022-09-04T14:46:11.351041Z",
"structure_string": "Rb8\n1.0\n8.978624 0.000000 0.000000\n-0.417011 9.410338 0.000000\n-4.078497 -2.329584 8.811433\nRb\n8\ndirect\n0.388715 0.794630 0.234057 Rb\n0.974850 0.820843 0.782301 Rb\n0.894549 0.599739 0.269305 Rb\n0.780495 0.299401 0.750595 Rb\n0.273446 0.288511 0.733440 Rb\n0.453472 0.782270 0.726238 Rb\n0.849128 0.088731 0.229780 Rb\n0.364381 0.302596 0.249545 Rb\n",
"nsites": 8,
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"elements": [
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"density": 1.5250358697239768,
"density_atomic": 0.010745544725265654,
"volume": 744.4945979508938,
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"formula_full": "Rb8",
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"formula_anonymous": "A",
"energy": -7.41507832,
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"updated_at": "2021-11-28T01:37:21.537000Z",
"spacegroup": 1
},
{
"id": "mp-973626",
"created_at": "2022-09-04T14:45:00.153199Z",
"structure_string": "Hg6 Au2\n1.0\n2.973825 -5.150817 0.000000\n2.973825 5.150817 0.000000\n0.000000 0.000000 6.237019\nHg Au\n6 2\ndirect\n0.167434 0.334867 0.250000 Hg\n0.665133 0.832566 0.250000 Hg\n0.167434 0.832566 0.250000 Hg\n0.832566 0.665133 0.750000 Hg\n0.334867 0.167434 0.750000 Hg\n0.832566 0.167434 0.750000 Hg\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n",
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"elements": [
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"density": 13.883023869037034,
"density_atomic": 0.04186888503044017,
"volume": 191.07267829519975,
"volume_molar": 14.383332051048622,
"formula_full": "Hg6 Au2",
"formula_reduced": "Hg3Au",
"formula_anonymous": "AB3",
"energy": -7.43629868,
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"updated_at": "2021-11-28T01:36:45.787000Z",
"spacegroup": 194
},
{
"id": "mp-1068966",
"created_at": "2022-09-04T14:47:13.169073Z",
"structure_string": "K5\n1.0\n4.459769 -6.503227 0.000000\n4.459769 6.503227 0.000000\n0.000000 0.000000 8.659120\nK\n5\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.747291 K\n0.500000 0.000000 0.747291 K\n0.500000 0.000000 0.252709 K\n0.000000 0.500000 0.252709 K\n",
"nsites": 5,
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"elements": [
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"density": 0.6462967090133793,
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"volume": 502.2790127367238,
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"formula_full": "K5",
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"energy": -4.65632006,
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"updated_at": "2021-11-28T01:37:58.808000Z",
"spacegroup": 65
},
{
"id": "mp-1096664",
"created_at": "2022-09-04T14:46:26.910956Z",
"structure_string": "Sr2 Zn1 Pb1\n1.0\n-6.784940 6.896298 9.744662\n6.784940 -6.896298 9.744662\n6.784940 6.896298 -9.744662\nSr Zn Pb\n2 1 1\ndirect\n0.000000 0.254968 0.254968 Sr\n0.000000 0.745032 0.745032 Sr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
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"density": 0.40774806032006405,
"density_atomic": 0.0021931644056036475,
"volume": 1823.8486771806959,
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"formula_full": "Sr2 Zn1 Pb1",
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"updated_at": "2021-11-28T01:37:36.901000Z",
"spacegroup": 71
},
{
"id": "mp-1183945",
"created_at": "2022-09-04T14:40:25.026039Z",
"structure_string": "Cs1 Rb3\n1.0\n7.283814 0.000000 0.000000\n0.000000 7.283814 0.000000\n0.000000 0.000000 7.283814\nCs Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
"nsites": 4,
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"volume": 386.4350774459373,
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"spacegroup": 221
},
{
"id": "mp-1093559",
"created_at": "2022-09-04T14:39:12.269402Z",
"structure_string": "Li2 In1 Hg1\n1.0\n-5.610206 5.684734 7.925770\n5.610206 -5.684734 7.925770\n5.610206 5.684734 -7.925770\nLi In Hg\n2 1 1\ndirect\n0.250234 0.000000 0.250234 Li\n0.749766 0.000000 0.749766 Li\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"density": 0.5408006770476812,
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"volume": 1011.0913917966559,
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"formula_full": "Li2 In1 Hg1",
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"updated_at": "2021-11-28T01:34:33.706000Z",
"spacegroup": 71
},
{
"id": "mp-1095810",
"created_at": "2022-09-04T14:43:12.120054Z",
"structure_string": "Sr2 Mg1 Pb1\n1.0\n-6.883809 6.911254 9.809423\n6.883809 -6.911254 9.809423\n6.883809 6.911254 -9.809423\nSr Mg Pb\n2 1 1\ndirect\n0.000000 0.267935 0.267935 Sr\n0.000000 0.732065 0.732065 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"density": 0.36181136167932293,
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"volume": 1866.7627227329717,
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"formula_full": "Sr2 Mg1 Pb1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:02.562000Z",
"spacegroup": 71
},
{
"id": "mp-1093776",
"created_at": "2022-09-04T14:46:23.513270Z",
"structure_string": "Mg2 Zn1 Cu1\n1.0\n-5.355569 5.477214 7.735315\n5.355569 -5.477214 7.735315\n5.355569 5.477214 -7.735315\nMg Zn Cu\n2 1 1\ndirect\n0.000000 0.237343 0.237343 Mg\n0.000000 0.762657 0.762657 Mg\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
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"volume": 907.618467130316,
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"formula_full": "Mg2 Zn1 Cu1",
"formula_reduced": "Mg2ZnCu",
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"total_magnetization": 6.58e-05,
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"updated_at": "2021-11-28T01:37:32.858000Z",
"spacegroup": 71
}
]
}