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{
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"results": [
{
"id": "mp-1094907",
"created_at": "2022-09-04T14:41:04.435780Z",
"structure_string": "Mg4 Cd2\n1.0\n5.454175 -2.706137 0.000000\n5.454175 2.706137 0.000000\n4.111502 0.000000 4.490741\nMg Cd\n4 2\ndirect\n0.000000 0.667813 0.332187 Mg\n0.667813 0.332187 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.332187 0.000000 0.667813 Mg\n0.834172 0.834172 0.834172 Cd\n0.165828 0.165828 0.165828 Cd\n",
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{
"id": "mp-976768",
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"updated_at": "2021-11-28T01:34:43.519000Z",
"spacegroup": 139
},
{
"id": "mp-1399879",
"created_at": "2022-09-04T14:47:23.157757Z",
"structure_string": "Mg6 Si8\n1.0\n5.084905 0.000000 0.000000\n-1.992841 7.235290 0.000000\n-0.391695 -3.736856 6.818419\nMg Si\n6 8\ndirect\n0.758279 0.122286 0.393157 Mg\n0.394585 0.286956 0.518232 Mg\n0.606454 0.293410 0.914323 Mg\n0.656800 0.835906 0.834439 Mg\n0.990923 0.604536 0.384845 Mg\n0.131682 0.076263 0.167045 Mg\n0.149966 0.495818 0.836392 Si\n0.219698 0.909571 0.914907 Si\n0.016351 0.515017 0.098551 Si\n0.513295 0.469317 0.145884 Si\n0.977346 0.222016 0.726076 Si\n0.586443 0.698473 0.546439 Si\n0.157297 0.844811 0.571207 Si\n0.587361 0.879206 0.195143 Si\n",
"nsites": 14,
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"elements": [
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"Si"
],
"chemical_system": "Mg-Si",
"density": 2.452625549068926,
"density_atomic": 0.05580916999205808,
"volume": 250.85483267341672,
"volume_molar": 10.790593662039733,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -20.0944272,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.654000Z",
"spacegroup": 1
},
{
"id": "mp-1094198",
"created_at": "2022-09-04T14:47:10.425933Z",
"structure_string": "Mg2 Zn4\n1.0\n2.417489 -4.555072 0.000000\n2.417489 4.555072 0.000000\n0.000000 0.000000 4.671581\nMg Zn\n2 4\ndirect\n0.700274 0.700274 0.750000 Mg\n0.299726 0.299726 0.250000 Mg\n0.985695 0.353104 0.750000 Zn\n0.353104 0.985695 0.750000 Zn\n0.646896 0.014305 0.250000 Zn\n0.014305 0.646896 0.250000 Zn\n",
"nsites": 6,
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"elements": [
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"density": 5.007277455450032,
"density_atomic": 0.058317328194108176,
"volume": 102.88537190917094,
"volume_molar": 10.32650319636629,
"formula_full": "Mg2 Zn4",
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"energy": -8.60162543,
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"updated_at": "2021-11-28T01:37:58.445000Z",
"spacegroup": 63
},
{
"id": "mp-1094439",
"created_at": "2022-09-04T14:46:55.389220Z",
"structure_string": "Mg2 Zn4\n1.0\n1.477058 -7.403229 0.000000\n1.477058 7.403229 0.000000\n0.000000 0.000000 4.642417\nMg Zn\n2 4\ndirect\n0.438381 0.561619 0.250000 Mg\n0.561619 0.438381 0.750000 Mg\n0.117271 0.882729 0.250000 Zn\n0.772389 0.227611 0.250000 Zn\n0.227611 0.772389 0.750000 Zn\n0.882729 0.117271 0.750000 Zn\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Mg-Zn",
"density": 5.0741396092922795,
"density_atomic": 0.05909603922102347,
"volume": 101.5296469795474,
"volume_molar": 10.190430423732387,
"formula_full": "Mg2 Zn4",
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"formula_anonymous": "AB2",
"energy": -8.5984498,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.470000Z",
"spacegroup": 63
},
{
"id": "mp-1095769",
"created_at": "2022-09-04T14:42:56.792562Z",
"structure_string": "Ca1 La1 Tl2\n1.0\n-6.309144 6.722398 9.500269\n6.309144 -6.722398 9.500269\n6.309144 6.722398 -9.500269\nCa La Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 La\n0.000000 0.251033 0.251033 Tl\n0.000000 0.748967 0.748967 Tl\n",
"nsites": 4,
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"elements": [
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"La",
"Tl"
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"chemical_system": "Ca-La-Tl",
"density": 0.6055517059595393,
"density_atomic": 0.002481815178350692,
"volume": 1611.7235622107157,
"volume_molar": 242.65065394603866,
"formula_full": "Ca1 La1 Tl2",
"formula_reduced": "CaLaTl2",
"formula_anonymous": "ABC2",
"energy": -5.73204703,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.229000Z",
"spacegroup": 71
},
{
"id": "mp-1094776",
"created_at": "2022-09-04T14:44:03.060530Z",
"structure_string": "Mg4 Cd2\n1.0\n1.599051 5.796865 0.000000\n-1.599051 5.796865 0.000000\n0.000000 1.919145 7.129689\nMg Cd\n4 2\ndirect\n0.808924 0.808924 0.636544 Mg\n0.137951 0.137951 0.972697 Mg\n0.862049 0.862049 0.027303 Mg\n0.191076 0.191076 0.363456 Mg\n0.529022 0.529022 0.696111 Cd\n0.470978 0.470978 0.303889 Cd\n",
"nsites": 6,
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"elements": [
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"Cd"
],
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"density": 4.045810423712124,
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"volume": 132.17705875485376,
"volume_molar": 13.266480884408661,
"formula_full": "Mg4 Cd2",
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"formula_anonymous": "AB2",
"energy": -8.59563537,
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"updated_at": "2021-11-28T01:36:20.332000Z",
"spacegroup": 12
},
{
"id": "mp-1097529",
"created_at": "2022-09-04T14:39:45.302657Z",
"structure_string": "Ba1 Tl2 Pb1\n1.0\n-7.163545 7.285220 10.126182\n7.163545 -7.285220 10.126182\n7.163545 7.285220 -10.126182\nBa Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.285412 0.000000 0.285412 Tl\n0.714588 0.000000 0.714588 Tl\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Tl",
"Pb"
],
"chemical_system": "Ba-Pb-Tl",
"density": 0.5917482611767797,
"density_atomic": 0.0018922721895013107,
"volume": 2113.86079771862,
"volume_molar": 318.2491817726854,
"formula_full": "Ba1 Tl2 Pb1",
"formula_reduced": "BaTl2Pb",
"formula_anonymous": "ABC2",
"energy": -5.73006501,
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"updated_at": "2021-11-28T01:34:44.812000Z",
"spacegroup": 71
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{
"id": "mp-1185784",
"created_at": "2022-09-04T14:40:42.377652Z",
"structure_string": "Mg6 Hg2\n1.0\n3.141483 -5.441208 0.000000\n3.141483 5.441208 0.000000\n0.000000 0.000000 5.046004\nMg Hg\n6 2\ndirect\n0.168307 0.336613 0.250000 Mg\n0.168307 0.831693 0.250000 Mg\n0.663387 0.831693 0.250000 Mg\n0.336613 0.168307 0.750000 Mg\n0.831693 0.168307 0.750000 Mg\n0.831693 0.663387 0.750000 Mg\n0.666667 0.333333 0.250000 Hg\n0.333333 0.666667 0.750000 Hg\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.26546506128944,
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"volume": 172.5073596060341,
"volume_molar": 12.985795021043444,
"formula_full": "Mg6 Hg2",
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"updated_at": "2021-11-28T01:35:05.896000Z",
"spacegroup": 194
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{
"id": "mp-1023263",
"created_at": "2022-09-04T14:46:22.162105Z",
"structure_string": "K2 Ca2 Mg12\n1.0\n5.500746 0.000000 0.000000\n0.000000 6.886337 0.000000\n0.000000 0.000000 12.066576\nK Ca Mg\n2 2 12\ndirect\n0.500000 0.500000 0.161973 K\n0.500000 0.000000 0.661973 K\n0.000000 0.500000 0.340208 Ca\n0.000000 0.000000 0.840208 Ca\n0.000000 0.757471 0.080839 Mg\n0.000000 0.242529 0.080839 Mg\n0.000000 0.000000 0.333737 Mg\n0.500000 0.247808 0.417799 Mg\n0.500000 0.752192 0.417799 Mg\n0.500000 0.000000 0.166806 Mg\n0.000000 0.257471 0.580839 Mg\n0.000000 0.742529 0.580839 Mg\n0.000000 0.500000 0.833737 Mg\n0.500000 0.747808 0.917799 Mg\n0.500000 0.252192 0.917799 Mg\n0.500000 0.500000 0.666806 Mg\n",
"nsites": 16,
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"elements": [
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"volume": 457.08178675016,
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"formula_full": "K2 Ca2 Mg12",
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{
"id": "mp-1023256",
"created_at": "2022-09-04T14:42:00.566317Z",
"structure_string": "K2 Ca2 Mg12\n1.0\n5.436045 0.000000 0.000000\n0.000000 6.916641 0.000000\n0.000000 0.000000 12.294566\nK Ca Mg\n2 2 12\ndirect\n0.500000 0.500000 0.170679 K\n0.500000 0.000000 0.670679 K\n0.500000 0.000000 0.167402 Ca\n0.500000 0.500000 0.667402 Ca\n0.500000 0.248103 0.421021 Mg\n0.500000 0.751897 0.421021 Mg\n0.000000 0.761314 0.065596 Mg\n0.000000 0.238686 0.065596 Mg\n0.000000 0.000000 0.340016 Mg\n0.000000 0.500000 0.348664 Mg\n0.500000 0.748103 0.921021 Mg\n0.500000 0.251897 0.921021 Mg\n0.000000 0.261314 0.565596 Mg\n0.000000 0.738686 0.565596 Mg\n0.000000 0.500000 0.840016 Mg\n0.000000 0.000000 0.848664 Mg\n",
"nsites": 16,
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"density": 1.6165244983321354,
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"volume": 462.2654983164407,
"volume_molar": 17.398924370957182,
"formula_full": "K2 Ca2 Mg12",
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{
"id": "mp-976592",
"created_at": "2022-09-04T14:40:32.769103Z",
"structure_string": "K3 Ag1\n1.0\n5.777752 0.000000 0.000000\n0.000000 5.777752 0.000000\n0.000000 0.000000 5.777752\nK Ag\n3 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 Ag\n",
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"updated_at": "2021-11-28T01:34:55.524000Z",
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}
]
}