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{
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"results": [
{
"id": "mp-1027939",
"created_at": "2022-09-04T14:42:16.920947Z",
"structure_string": "Li1 Mg14 Zr1\n1.0\n6.421063 -0.000301 0.000000\n-3.210792 5.561255 0.000000\n0.000000 0.000000 10.189455\nLi Mg Zr\n1 14 1\ndirect\n0.173839 0.836919 0.125000 Li\n0.166707 0.333353 0.625000 Mg\n0.166939 0.833469 0.625000 Mg\n0.660338 0.323078 0.125000 Mg\n0.666775 0.333281 0.625000 Mg\n0.660338 0.837259 0.125000 Mg\n0.666775 0.833493 0.625000 Mg\n0.330549 0.167231 0.372345 Mg\n0.330549 0.167231 0.877655 Mg\n0.330549 0.663319 0.372345 Mg\n0.330549 0.663319 0.877655 Mg\n0.839064 0.169532 0.374195 Mg\n0.839064 0.169532 0.875805 Mg\n0.835665 0.667833 0.370127 Mg\n0.835665 0.667833 0.879873 Mg\n0.166631 0.333315 0.125000 Zr\n",
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{
"id": "mp-1112318",
"created_at": "2022-09-04T14:44:26.856180Z",
"structure_string": "Cs1 K2 In1 Cl6\n1.0\n0.000000 5.766046 5.766046\n5.766046 0.000000 5.766046\n5.766046 5.766046 0.000000\nCs K In Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.779638 0.220362 0.220362 Cl\n0.220362 0.220362 0.779638 Cl\n0.220362 0.779638 0.779638 Cl\n0.220362 0.779638 0.220362 Cl\n0.779638 0.220362 0.779638 Cl\n0.779638 0.779638 0.220362 Cl\n",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:36:33.677000Z",
"spacegroup": 225
},
{
"id": "mp-1027887",
"created_at": "2022-09-04T14:46:25.035354Z",
"structure_string": "Mg14 Ga1 Fe1\n1.0\n6.222099 -0.008996 0.000000\n-3.118840 5.401989 0.000000\n0.000000 0.000000 10.038265\nMg Ga Fe\n14 1 1\ndirect\n0.168155 0.334077 0.625000 Mg\n0.170169 0.835084 0.625000 Mg\n0.674551 0.338061 0.125000 Mg\n0.665215 0.331372 0.625000 Mg\n0.674551 0.836489 0.125000 Mg\n0.665215 0.833843 0.625000 Mg\n0.324153 0.168014 0.355973 Mg\n0.324153 0.168014 0.894027 Mg\n0.324153 0.656140 0.355973 Mg\n0.324153 0.656140 0.894027 Mg\n0.844042 0.172022 0.364659 Mg\n0.844042 0.172022 0.885341 Mg\n0.835417 0.667709 0.374965 Mg\n0.835417 0.667709 0.875035 Mg\n0.160131 0.830065 0.125000 Ga\n0.166483 0.333241 0.125000 Fe\n",
"nsites": 16,
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"elements": [
"Mg",
"Ga",
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],
"chemical_system": "Fe-Ga-Mg",
"density": 2.294549420799816,
"density_atomic": 0.04746061797486063,
"volume": 337.12161119509705,
"volume_molar": 12.688711224092915,
"formula_full": "Mg14 Ga1 Fe1",
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"updated_at": "2021-11-28T01:37:35.503000Z",
"spacegroup": 38
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{
"id": "mp-19791",
"created_at": "2022-09-04T14:40:22.705839Z",
"structure_string": "Ca1 Ge2 Ru2\n1.0\n-2.145389 2.145389 5.024903\n2.145389 -2.145389 5.024903\n2.145389 2.145389 -5.024903\nCa Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.367262 0.367262 0.000000 Ge\n0.632738 0.632738 0.000000 Ge\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
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"density": 6.955346808927109,
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"formula_full": "Ca1 Ge2 Ru2",
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"updated_at": "2021-11-28T01:34:53.814000Z",
"spacegroup": 139
},
{
"id": "mp-2509",
"created_at": "2022-09-04T14:48:18.822509Z",
"structure_string": "Th1 Rh3\n1.0\n4.137493 0.000000 0.000000\n0.000000 4.137493 0.000000\n0.000000 0.000000 4.137493\nTh Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
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"volume": 70.82911511295197,
"volume_molar": 10.663572527911,
"formula_full": "Th1 Rh3",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:38:56.816000Z",
"spacegroup": 221
},
{
"id": "mp-1018728",
"created_at": "2022-09-04T14:43:20.091411Z",
"structure_string": "Ho2 Se4\n1.0\n4.057493 0.000000 0.000000\n0.000000 4.057493 0.000000\n0.000000 0.000000 8.310963\nHo Se\n2 4\ndirect\n0.000000 0.500000 0.725781 Ho\n0.500000 0.000000 0.274219 Ho\n0.000000 0.500000 0.369697 Se\n0.500000 0.000000 0.630303 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ho-Se",
"density": 7.8363424583163885,
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"volume": 136.82545699757276,
"volume_molar": 13.733036026511837,
"formula_full": "Ho2 Se4",
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"updated_at": "2021-11-28T01:36:09.970000Z",
"spacegroup": 129
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{
"id": "mp-1226010",
"created_at": "2022-09-04T14:47:59.601992Z",
"structure_string": "Co4 Ge1\n1.0\n9.891716 -1.312495 0.000000\n9.891716 1.312495 0.000000\n9.717566 0.000000 2.266628\nCo Ge\n4 1\ndirect\n0.598840 0.598840 0.598840 Co\n0.200320 0.200320 0.200320 Co\n0.799680 0.799680 0.799680 Co\n0.401160 0.401160 0.401160 Co\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 5,
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"density": 8.700527657672522,
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"volume": 58.85448198242146,
"volume_molar": 7.088599497100519,
"formula_full": "Co4 Ge1",
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"updated_at": "2021-11-28T01:38:28.093000Z",
"spacegroup": 166
},
{
"id": "mp-1223875",
"created_at": "2022-09-04T14:46:04.872383Z",
"structure_string": "K2 Zn3 Ge1 As4\n1.0\n2.922456 -7.292953 0.000000\n2.922456 7.292953 0.000000\n0.000000 0.000000 5.833283\nK Zn Ge As\n2 3 1 4\ndirect\n0.500000 0.000000 0.247428 K\n0.000000 0.500000 0.752572 K\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Ge\n0.650213 0.864313 0.756983 As\n0.135687 0.349787 0.243017 As\n0.864313 0.650213 0.243017 As\n0.349787 0.135687 0.756983 As\n",
"nsites": 10,
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"Ge",
"As"
],
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"density_atomic": 0.04021661946308401,
"volume": 248.6534207376452,
"volume_molar": 14.974259001376023,
"formula_full": "K2 Zn3 Ge1 As4",
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"energy": -32.37255307,
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{
"id": "mp-1101447",
"created_at": "2022-09-04T14:47:14.627023Z",
"structure_string": "Nd1 Y1 O2\n1.0\n6.012501 -1.729244 0.000000\n6.012501 1.729244 0.000000\n5.515157 0.000000 2.953557\nNd Y O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Y\n0.234338 0.234338 0.234338 O\n0.765662 0.765662 0.765662 O\n",
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{
"id": "mp-1184312",
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"structure_string": "Eu3 Mg1\n1.0\n0.000000 4.205345 4.205345\n4.205345 0.000000 4.205345\n4.205345 4.205345 0.000000\nEu Mg\n3 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "mp-1112054",
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"structure_string": "Cs1 K2 As1 Cl6\n1.0\n0.000000 5.728671 5.728671\n5.728671 0.000000 5.728671\n5.728671 5.728671 0.000000\nCs K As Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 As\n0.780964 0.219036 0.219036 Cl\n0.219036 0.219036 0.780964 Cl\n0.219036 0.780964 0.780964 Cl\n0.219036 0.780964 0.219036 Cl\n0.780964 0.219036 0.780964 Cl\n0.780964 0.780964 0.219036 Cl\n",
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"volume": 376.003285174071,
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"formula_full": "Cs1 K2 As1 Cl6",
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"energy": -36.0523576,
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{
"id": "mp-758302",
"created_at": "2022-09-04T14:45:12.935557Z",
"structure_string": "Li2 Ag2 F4\n1.0\n1.565309 -5.732172 0.000000\n1.565309 5.732172 0.000000\n0.000000 0.000000 5.727083\nLi Ag F\n2 2 4\ndirect\n0.893593 0.106407 0.250000 Li\n0.106407 0.893593 0.750000 Li\n0.630428 0.369572 0.250000 Ag\n0.369572 0.630428 0.750000 Ag\n0.697981 0.302019 0.750000 F\n0.302019 0.697981 0.250000 F\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n",
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"volume": 102.77388375881912,
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"formula_full": "Li2 Ag2 F4",
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]
}