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{
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"results": [
{
"id": "mp-867147",
"created_at": "2022-09-04T14:41:01.150603Z",
"structure_string": "Ba1 Na1 Hg2\n1.0\n0.000000 4.031907 4.031907\n4.031907 0.000000 4.031907\n4.031907 4.031907 0.000000\nBa Na Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
"id": "mp-1203399",
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"structure_string": "Sm3 Cd33\n1.0\n9.442542 0.000000 0.000000\n0.000000 9.442542 0.000000\n0.000000 0.000000 9.442542\nSm Cd\n3 33\ndirect\n0.500000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.000000 0.500000 0.000000 Sm\n0.500000 0.500000 0.500000 Cd\n0.155151 0.155151 0.844849 Cd\n0.155151 0.844849 0.155151 Cd\n0.844849 0.155151 0.155151 Cd\n0.844849 0.844849 0.844849 Cd\n0.844849 0.844849 0.155151 Cd\n0.844849 0.155151 0.844849 Cd\n0.155151 0.844849 0.844849 Cd\n0.155151 0.155151 0.155151 Cd\n0.000000 0.345168 0.654832 Cd\n0.345168 0.345168 0.000000 Cd\n0.345168 0.000000 0.654832 Cd\n0.000000 0.654832 0.345168 Cd\n0.345168 0.654832 0.000000 Cd\n0.345168 0.000000 0.345168 Cd\n0.000000 0.345168 0.345168 Cd\n0.654832 0.345168 0.000000 Cd\n0.654832 0.000000 0.345168 Cd\n0.000000 0.654832 0.654832 Cd\n0.654832 0.654832 0.000000 Cd\n0.654832 0.000000 0.654832 Cd\n0.500000 0.264940 0.735060 Cd\n0.264940 0.264940 0.500000 Cd\n0.264940 0.500000 0.735060 Cd\n0.500000 0.735060 0.264940 Cd\n0.264940 0.735060 0.500000 Cd\n0.264940 0.500000 0.264940 Cd\n0.500000 0.264940 0.264940 Cd\n0.735060 0.264940 0.500000 Cd\n0.735060 0.500000 0.264940 Cd\n0.500000 0.735060 0.735060 Cd\n0.735060 0.735060 0.500000 Cd\n0.735060 0.500000 0.735060 Cd\n",
"nsites": 36,
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"formula_full": "Sm3 Cd33",
"formula_reduced": "SmCd11",
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"updated_at": "2021-11-28T01:36:04.898000Z",
"spacegroup": 221
},
{
"id": "mp-1400283",
"created_at": "2022-09-04T14:40:38.570145Z",
"structure_string": "Mg8 Si6\n1.0\n6.312750 0.000000 0.000000\n-0.952608 7.019309 0.000000\n-1.978519 -3.548901 6.432033\nMg Si\n8 6\ndirect\n0.782984 0.382488 0.458832 Mg\n0.916525 0.154756 0.154044 Mg\n0.030708 0.582434 0.786305 Mg\n0.571043 0.907079 0.458061 Mg\n0.267048 0.190818 0.540993 Mg\n0.225933 0.682789 0.173647 Mg\n0.563685 0.602523 0.943612 Mg\n0.333017 0.152007 0.948669 Mg\n0.688637 0.805971 0.198366 Si\n0.629688 0.403536 0.738670 Si\n0.674362 0.020279 0.845203 Si\n0.337240 0.308763 0.193942 Si\n0.253957 0.589332 0.555067 Si\n0.975167 0.967076 0.754650 Si\n",
"nsites": 14,
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"elements": [
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"density": 2.11464890738741,
"density_atomic": 0.049120957081868026,
"volume": 285.01073333458737,
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"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -19.10039602,
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"updated_at": "2021-11-28T01:35:05.697000Z",
"spacegroup": 1
},
{
"id": "mp-1016293",
"created_at": "2022-09-04T14:39:35.811602Z",
"structure_string": "K1 Mg7\n1.0\n3.381618 -5.857134 0.000000\n3.381618 5.857134 0.000000\n0.000000 0.000000 5.394522\nK Mg\n1 7\ndirect\n0.000000 0.000000 0.000000 K\n0.004192 0.502096 0.000000 Mg\n0.497904 0.502096 0.000000 Mg\n0.497904 0.995808 0.000000 Mg\n0.174087 0.348174 0.500000 Mg\n0.174087 0.825913 0.500000 Mg\n0.651826 0.825913 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 8,
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"elements": [
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"density": 1.6258752928004254,
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"volume": 213.69416844092828,
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"formula_full": "K1 Mg7",
"formula_reduced": "KMg7",
"formula_anonymous": "AB7",
"energy": -10.91256339,
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"updated_at": "2021-11-28T01:34:30.093000Z",
"spacegroup": 187
},
{
"id": "mp-1055956",
"created_at": "2022-09-04T14:47:29.168069Z",
"structure_string": "Mg1\n1.0\n1.527549 -2.645793 0.000000\n1.527549 2.645793 0.000000\n0.000000 0.000000 3.159751\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
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"elements": [
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.337000Z",
"spacegroup": 191
},
{
"id": "mp-30719",
"created_at": "2022-09-04T14:41:56.264562Z",
"structure_string": "Mg8 Hg4\n1.0\n4.689699 0.000000 0.000000\n0.000000 6.179430 0.000000\n0.000000 0.000000 8.971725\nMg Hg\n8 4\ndirect\n0.250000 0.450095 0.209412 Mg\n0.750000 0.549905 0.790588 Mg\n0.250000 0.950095 0.290588 Mg\n0.750000 0.049905 0.709412 Mg\n0.750000 0.679474 0.443899 Mg\n0.250000 0.320526 0.556101 Mg\n0.750000 0.179474 0.056101 Mg\n0.250000 0.820526 0.943899 Mg\n0.250000 0.286055 0.879479 Hg\n0.750000 0.713945 0.120521 Hg\n0.250000 0.786055 0.620521 Hg\n0.750000 0.213945 0.379479 Hg\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Hg-Mg",
"density": 6.366310076100529,
"density_atomic": 0.04615427216693352,
"volume": 259.9976001484258,
"volume_molar": 13.047851211300141,
"formula_full": "Mg8 Hg4",
"formula_reduced": "Mg2Hg",
"formula_anonymous": "AB2",
"energy": -16.35772612,
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"updated_at": "2021-11-28T01:35:26.932000Z",
"spacegroup": 62
},
{
"id": "mp-1187185",
"created_at": "2022-09-04T14:48:16.765805Z",
"structure_string": "Sr1 Mg1 Hg2\n1.0\n0.000000 3.757877 3.757877\n3.757877 0.000000 3.757877\n3.757877 3.757877 0.000000\nSr Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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],
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"density": 8.027820727315781,
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"volume": 106.13476891289298,
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"formula_full": "Sr1 Mg1 Hg2",
"formula_reduced": "SrMgHg2",
"formula_anonymous": "ABC2",
"energy": -5.45174335,
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"updated_at": "2021-11-28T01:38:43.953000Z",
"spacegroup": 225
},
{
"id": "mp-1023291",
"created_at": "2022-09-04T14:46:13.036723Z",
"structure_string": "Rb2 Ca2 Mg12\n1.0\n5.550417 0.000000 0.000000\n0.000000 6.987165 0.000000\n0.000000 0.000000 12.200239\nRb Ca Mg\n2 2 12\ndirect\n0.500000 0.500000 0.160876 Rb\n0.500000 0.000000 0.660876 Rb\n0.000000 0.500000 0.343126 Ca\n0.000000 0.000000 0.843126 Ca\n0.000000 0.766357 0.080726 Mg\n0.000000 0.233643 0.080726 Mg\n0.000000 0.000000 0.333787 Mg\n0.500000 0.247895 0.417204 Mg\n0.500000 0.752105 0.417204 Mg\n0.500000 0.000000 0.166350 Mg\n0.000000 0.266357 0.580726 Mg\n0.000000 0.733643 0.580726 Mg\n0.000000 0.500000 0.833787 Mg\n0.500000 0.747895 0.917204 Mg\n0.500000 0.252105 0.917204 Mg\n0.500000 0.500000 0.666350 Mg\n",
"nsites": 16,
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"elements": [
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"Mg"
],
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"density": 1.9048257773040362,
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"volume": 473.1457574745971,
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"formula_full": "Rb2 Ca2 Mg12",
"formula_reduced": "RbCaMg6",
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{
"id": "mp-1095946",
"created_at": "2022-09-04T14:41:19.489468Z",
"structure_string": "Ag2 Hg1 Au1\n1.0\n-5.347192 5.751045 8.130341\n5.347192 -5.751045 8.130341\n5.347192 5.751045 -8.130341\nAg Hg Au\n2 1 1\ndirect\n0.000000 0.246712 0.246712 Ag\n0.000000 0.753288 0.753288 Ag\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
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"volume": 1000.0950934932492,
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"formula_full": "Ag2 Hg1 Au1",
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{
"id": "mp-978274",
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"structure_string": "Mg3 Cd3\n1.0\n1.630195 -8.029471 0.000000\n1.630195 8.029471 0.000000\n0.000000 0.000000 4.976840\nMg Cd\n3 3\ndirect\n0.994839 0.005161 0.000000 Mg\n0.665108 0.334892 0.000000 Mg\n0.782518 0.217482 0.500000 Mg\n0.330093 0.669907 0.000000 Cd\n0.446111 0.553889 0.500000 Cd\n0.114659 0.885341 0.500000 Cd\n",
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{
"id": "mp-1096118",
"created_at": "2022-09-04T14:41:55.351957Z",
"structure_string": "Sc1 Cd2 Ag1\n1.0\n-5.803700 6.042112 8.504609\n5.803700 -6.042112 8.504609\n5.803700 6.042112 -8.504609\nSc Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.261758 0.261758 Cd\n0.000000 0.738242 0.738242 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"volume": 1192.91107202702,
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"formula_full": "Sc1 Cd2 Ag1",
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{
"id": "mp-22859",
"created_at": "2022-09-04T14:42:00.577617Z",
"structure_string": "Hg2 I2\n1.0\n-2.595266 2.595266 5.904167\n2.595266 -2.595266 5.904167\n2.595266 2.595266 -5.904167\nHg I\n2 2\ndirect\n0.887046 0.887046 0.000000 Hg\n0.112954 0.112954 0.000000 Hg\n0.652519 0.652519 0.000000 I\n0.347481 0.347481 0.000000 I\n",
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"updated_at": "2021-11-28T01:35:36.923000Z",
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}
]
}