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{
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"results": [
{
"id": "mp-1093880",
"created_at": "2022-09-04T14:46:14.872761Z",
"structure_string": "Y1 Ti1 Pd2\n1.0\n-4.981525 5.939245 8.368249\n4.981525 -5.939245 8.368249\n4.981525 5.939245 -8.368249\nY Ti Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ti\n0.000000 0.252602 0.252602 Pd\n0.000000 0.747398 0.747398 Pd\n",
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{
"id": "mp-1096210",
"created_at": "2022-09-04T14:46:55.009337Z",
"structure_string": "Na1 Y1 Pb2\n1.0\n-6.102233 6.589807 9.260666\n6.102233 -6.589807 9.260666\n6.102233 6.589807 -9.260666\nNa Y Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Y\n0.000000 0.252654 0.252654 Pb\n0.000000 0.747346 0.747346 Pb\n",
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"spacegroup": 71
},
{
"id": "mp-1096443",
"created_at": "2022-09-04T14:39:20.425879Z",
"structure_string": "Mg2 Hg1 Pt1\n1.0\n-5.255245 6.555867 9.124055\n5.255245 -6.555867 9.124055\n5.255245 6.555867 -9.124055\nMg Hg Pt\n2 1 1\ndirect\n0.000000 0.232476 0.232476 Mg\n0.000000 0.767524 0.767524 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"Pt"
],
"chemical_system": "Hg-Mg-Pt",
"density": 0.5867306595158562,
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"volume": 1257.392854285258,
"volume_molar": 189.3049189780998,
"formula_full": "Mg2 Hg1 Pt1",
"formula_reduced": "Mg2HgPt",
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"energy_uncorrected": -5.40419075,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.895000Z",
"spacegroup": 71
},
{
"id": "mp-1180761",
"created_at": "2022-09-04T14:39:14.718016Z",
"structure_string": "Na1 C1 N1 O1\n1.0\n2.946480 1.713637 8.145498\n-2.337434 2.959072 4.686925\n-3.442401 -4.881724 -2.513689\nNa C N O\n1 1 1 1\ndirect\n0.951045 0.527624 0.000000 Na\n0.010463 0.988196 0.000000 C\n0.125318 0.029352 0.000000 N\n0.893175 0.944827 0.000000 O\n",
"nsites": 4,
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"elements": [
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"C",
"N",
"O"
],
"chemical_system": "C-N-Na-O",
"density": 0.5876164241637645,
"density_atomic": 0.021774469009018634,
"volume": 183.70137973712536,
"volume_molar": 27.65688916457952,
"formula_full": "Na1 C1 N1 O1",
"formula_reduced": "NaCNO",
"formula_anonymous": "ABCD",
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"band_gap": 3.7911,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.736000Z",
"spacegroup": 8
},
{
"id": "mp-1096045",
"created_at": "2022-09-04T14:45:26.602971Z",
"structure_string": "Sr1 Y1 Pb2\n1.0\n-6.116669 6.945920 9.825337\n6.116669 -6.945920 9.825337\n6.116669 6.945920 -9.825337\nSr Y Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Y\n0.000000 0.261600 0.261600 Pb\n0.000000 0.738400 0.738400 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pb-Sr-Y",
"density": 0.5876650772427404,
"density_atomic": 0.0023955640567188317,
"volume": 1669.7528871253564,
"volume_molar": 251.3871730171322,
"formula_full": "Sr1 Y1 Pb2",
"formula_reduced": "SrYPb2",
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"energy_uncorrected": -9.80039516,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:09.825000Z",
"spacegroup": 71
},
{
"id": "mp-1097597",
"created_at": "2022-09-04T14:47:44.002057Z",
"structure_string": "Al2 Tc1 Pd1\n1.0\n-4.805186 5.182377 7.327665\n4.805186 -5.182377 7.327665\n4.805186 5.182377 -7.327665\nAl Tc Pd\n2 1 1\ndirect\n0.000000 0.251773 0.251773 Al\n0.000000 0.748227 0.748227 Al\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Tc",
"Pd"
],
"chemical_system": "Al-Pd-Tc",
"density": 0.5878254155862185,
"density_atomic": 0.005480184591886333,
"volume": 729.9024207911144,
"volume_molar": 109.88937797672104,
"formula_full": "Al2 Tc1 Pd1",
"formula_reduced": "Al2TcPd",
"formula_anonymous": "ABC2",
"energy": -14.5645925,
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"band_gap": 1.0267999999999995,
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"is_magnetic": true,
"total_magnetization": 2.9999467,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.345000Z",
"spacegroup": 71
},
{
"id": "mp-1185521",
"created_at": "2022-09-04T14:47:01.100194Z",
"structure_string": "Mg2 B4 H16\n1.0\n-4.168105 4.168105 4.380210\n4.168105 -4.168105 4.380210\n4.168105 4.168105 -4.380210\nMg B H\n2 4 16\ndirect\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.392357 0.168851 0.223506 B\n0.945345 0.168851 0.776494 B\n0.831149 0.607643 0.776494 B\n0.831149 0.054655 0.223506 B\n0.049616 0.305587 0.744029 H\n0.694413 0.438441 0.744029 H\n0.694413 0.950384 0.255971 H\n0.561559 0.305587 0.255971 H\n0.997425 0.270813 0.975666 H\n0.295147 0.021758 0.024334 H\n0.729187 0.002575 0.024334 H\n0.978241 0.704853 0.975666 H\n0.295147 0.270813 0.273388 H\n0.997425 0.021758 0.726612 H\n0.729187 0.704853 0.726612 H\n0.978241 0.002575 0.273388 H\n0.742491 0.080826 0.661665 H\n0.419162 0.080826 0.338335 H\n0.919174 0.257509 0.338335 H\n0.919174 0.580838 0.661665 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 0.5890665715678167,
"density_atomic": 0.07227539192880007,
"volume": 304.39129298216244,
"volume_molar": 8.332214602077192,
"formula_full": "Mg2 B4 H16",
"formula_reduced": "Mg(BH4)2",
"formula_anonymous": "AB2C8",
"energy": -91.7898367,
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"updated_at": "2021-11-28T01:37:52.387000Z",
"spacegroup": 119
},
{
"id": "mp-1097147",
"created_at": "2022-09-04T14:46:58.909375Z",
"structure_string": "Mg1 Be2 Os1\n1.0\n-4.575315 5.050968 7.090159\n4.575315 -5.050968 7.090159\n4.575315 5.050968 -7.090159\nMg Be Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.272182 0.272181 Be\n0.000000 0.727819 0.727818 Be\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"Os"
],
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"density": 0.5892116781556286,
"density_atomic": 0.006103070809077779,
"volume": 655.4077652270317,
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"formula_full": "Mg1 Be2 Os1",
"formula_reduced": "MgBe2Os",
"formula_anonymous": "ABC2",
"energy": -9.24358396,
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"updated_at": "2021-11-28T01:37:45.724000Z",
"spacegroup": 71
},
{
"id": "mp-1097164",
"created_at": "2022-09-04T14:43:23.846645Z",
"structure_string": "Ti2 Cr1 Rh1\n1.0\n-4.949750 4.961203 7.184428\n4.949750 -4.961203 7.184428\n4.949750 4.961203 -7.184428\nTi Cr Rh\n2 1 1\ndirect\n0.000000 0.278570 0.278570 Ti\n0.000000 0.721430 0.721430 Ti\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cr-Rh-Ti",
"density": 0.5897519766120537,
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"volume": 705.7037903825562,
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"formula_full": "Ti2 Cr1 Rh1",
"formula_reduced": "Ti2CrRh",
"formula_anonymous": "ABC2",
"energy": -20.80305784,
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"updated_at": "2021-11-28T01:36:13.270000Z",
"spacegroup": 71
},
{
"id": "mp-1096567",
"created_at": "2022-09-04T14:45:39.339201Z",
"structure_string": "Li1 P1 Rh2\n1.0\n-4.788052 5.050737 7.088531\n4.788052 -5.050737 7.088531\n4.788052 5.050737 -7.088531\nLi P Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 P\n0.000000 0.290078 0.290078 Rh\n0.000000 0.709922 0.709922 Rh\n",
"nsites": 4,
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"elements": [
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"volume": 685.6932075103956,
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"formula_full": "Li1 P1 Rh2",
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"updated_at": "2021-11-28T01:37:07.660000Z",
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},
{
"id": "mp-1093701",
"created_at": "2022-09-04T14:40:58.695591Z",
"structure_string": "Na1 Sb1 Pd2\n1.0\n-5.319772 5.540727 8.531744\n5.319772 -5.540727 8.531744\n5.319772 5.540727 -8.531744\nNa Sb Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sb\n0.000000 0.271129 0.271129 Pd\n0.000000 0.728871 0.728871 Pd\n",
"nsites": 4,
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"volume": 1005.9064169875807,
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"formula_full": "Na1 Sb1 Pd2",
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"spacegroup": 71
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{
"id": "mp-1096011",
"created_at": "2022-09-04T14:40:35.830905Z",
"structure_string": "Mg1 Ge1 Ru2\n1.0\n-5.029634 5.446346 7.677582\n5.029634 -5.446346 7.677582\n5.029634 5.446346 -7.677582\nMg Ge Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ge\n0.000000 0.272539 0.272539 Ru\n0.000000 0.727461 0.727461 Ru\n",
"nsites": 4,
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"elements": [
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"density": 0.5903610054200824,
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"volume": 841.2519156489102,
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"formula_full": "Mg1 Ge1 Ru2",
"formula_reduced": "MgGeRu2",
"formula_anonymous": "ABC2",
"energy": -14.06920766,
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"updated_at": "2021-11-28T01:35:06.234000Z",
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}
]
}