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{
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"results": [
{
"id": "mp-1019099",
"created_at": "2022-09-04T14:42:11.499236Z",
"structure_string": "Sm2 Co2 P2\n1.0\n3.890876 0.000000 0.000000\n0.000000 3.890876 0.000000\n0.000000 0.000000 7.516651\nSm Co P\n2 2 2\ndirect\n0.000000 0.500000 0.298745 Sm\n0.500000 0.000000 0.701255 Sm\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.836732 P\n0.500000 0.000000 0.163268 P\n",
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"formula_full": "Sm2 Co2 P2",
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{
"id": "mp-1094584",
"created_at": "2022-09-04T14:42:54.077282Z",
"structure_string": "Mg4 Sb2\n1.0\n1.776482 5.657398 0.000000\n-1.776482 5.657398 0.000000\n0.000000 2.903051 7.248044\nMg Sb\n4 2\ndirect\n0.839953 0.839953 0.124944 Mg\n0.145897 0.145897 0.469609 Mg\n0.854103 0.854103 0.530391 Mg\n0.160047 0.160047 0.875056 Mg\n0.553271 0.553271 0.215513 Sb\n0.446729 0.446729 0.784487 Sb\n",
"nsites": 6,
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"elements": [
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"formula_full": "Mg4 Sb2",
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"updated_at": "2021-11-28T01:35:59.476000Z",
"spacegroup": 12
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{
"id": "mp-685150",
"created_at": "2022-09-04T14:43:01.303103Z",
"structure_string": "Pb2 F4\n1.0\n3.002050 -3.011285 0.000000\n3.002050 3.011285 0.000000\n0.000000 0.000000 6.024056\nPb F\n2 4\ndirect\n0.977479 0.022521 0.500000 Pb\n0.477479 0.522521 0.000000 Pb\n0.973608 0.541334 0.235227 F\n0.458666 0.026392 0.764773 F\n0.473608 0.041334 0.264773 F\n0.958666 0.526392 0.735227 F\n",
"nsites": 6,
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"elements": [
"Pb",
"F"
],
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"density": 7.4766168349472935,
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"volume": 108.91527144459505,
"volume_molar": 10.931718259216002,
"formula_full": "Pb2 F4",
"formula_reduced": "PbF2",
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"energy": -31.14790608,
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"energy_uncorrected": -29.29990608,
"band_gap": 4.3707,
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"updated_at": "2021-11-28T01:36:05.481000Z",
"spacegroup": 41
},
{
"id": "mp-28705",
"created_at": "2022-09-04T14:42:53.392293Z",
"structure_string": "Ca1 B2 Rh3\n1.0\n2.809413 -4.866047 0.000000\n2.809413 4.866047 0.000000\n0.000000 0.000000 2.931010\nCa B Rh\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n",
"nsites": 6,
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"elements": [
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"B",
"Rh"
],
"chemical_system": "B-Ca-Rh",
"density": 7.675386225882517,
"density_atomic": 0.07487072998465742,
"volume": 80.1381260905233,
"volume_molar": 8.043384592662665,
"formula_full": "Ca1 B2 Rh3",
"formula_reduced": "CaB2Rh3",
"formula_anonymous": "AB2C3",
"energy": -41.13681854,
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"updated_at": "2021-11-28T01:35:59.578000Z",
"spacegroup": 191
},
{
"id": "mp-1094206",
"created_at": "2022-09-04T14:43:02.051590Z",
"structure_string": "Mg2 Sn4\n1.0\n1.656373 6.442158 0.000000\n-1.656373 6.442158 0.000000\n0.000000 1.839739 7.279060\nMg Sn\n2 4\ndirect\n0.638988 0.638988 0.470692 Mg\n0.361012 0.361012 0.529308 Mg\n0.301777 0.301777 0.147313 Sn\n0.026611 0.026611 0.205814 Sn\n0.973389 0.973389 0.794186 Sn\n0.698223 0.698223 0.852687 Sn\n",
"nsites": 6,
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"elements": [
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"Sn"
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"chemical_system": "Mg-Sn",
"density": 5.595378787148984,
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"volume": 155.34411654276195,
"volume_molar": 15.591735600972616,
"formula_full": "Mg2 Sn4",
"formula_reduced": "MgSn2",
"formula_anonymous": "AB2",
"energy": -19.31113459,
"energy_per_atom": -3.218522431666667,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.013352,
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"updated_at": "2021-11-28T01:36:01.140000Z",
"spacegroup": 12
},
{
"id": "mp-1222935",
"created_at": "2022-09-04T14:43:03.127291Z",
"structure_string": "La2 Al2 Zn2\n1.0\n2.349743 5.391614 0.000000\n-2.349743 5.391614 0.000000\n0.000000 5.357676 5.540558\nLa Al Zn\n2 2 2\ndirect\n0.463574 0.463574 0.789653 La\n0.536426 0.536426 0.210347 La\n0.837644 0.837644 0.604900 Al\n0.162356 0.162356 0.395100 Al\n0.163876 0.163876 0.778831 Zn\n0.836124 0.836124 0.221169 Zn\n",
"nsites": 6,
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"elements": [
"La",
"Al",
"Zn"
],
"chemical_system": "Al-La-Zn",
"density": 5.471728919820819,
"density_atomic": 0.042739416862264526,
"volume": 140.38563088813498,
"volume_molar": 14.09036716482921,
"formula_full": "La2 Al2 Zn2",
"formula_reduced": "LaAlZn",
"formula_anonymous": "ABC",
"energy": -22.52633555,
"energy_per_atom": -3.754389258333333,
"energy_above_hull": null,
"is_stable": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.217000Z",
"spacegroup": 12
},
{
"id": "mp-1220865",
"created_at": "2022-09-04T14:42:53.387038Z",
"structure_string": "Na1 Sm2 Se3\n1.0\n-2.084731 2.954285 6.326965\n2.084731 -2.954285 6.326965\n2.084731 2.954285 -6.326965\nNa Sm Se\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.663717 0.663717 0.000000 Sm\n0.336283 0.336283 0.000000 Sm\n0.500000 0.000000 0.500000 Se\n0.168508 0.668508 0.500000 Se\n0.831492 0.331492 0.500000 Se\n",
"nsites": 6,
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"Sm",
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"density": 5.972228669256479,
"density_atomic": 0.03849403290658527,
"volume": 155.86831378672107,
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"formula_full": "Na1 Sm2 Se3",
"formula_reduced": "NaSm2Se3",
"formula_anonymous": "AB2C3",
"energy": -33.02343065,
"energy_per_atom": -5.503905108333334,
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"updated_at": "2021-11-28T01:35:56.099000Z",
"spacegroup": 71
},
{
"id": "mp-625998",
"created_at": "2022-09-04T14:42:50.355936Z",
"structure_string": "Li2 H2 O2\n1.0\n2.513497 -2.522808 0.000000\n2.513497 2.522808 0.000000\n0.000000 0.000000 4.556129\nLi H O\n2 2 2\ndirect\n0.460073 0.460073 0.500000 Li\n0.960073 0.960073 0.500000 Li\n0.420442 0.920442 0.103061 H\n0.920442 0.420442 0.896939 H\n0.458342 0.958342 0.310161 O\n0.958342 0.458342 0.689839 O\n",
"nsites": 6,
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"elements": [
"Li",
"H",
"O"
],
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"density": 1.376467399890619,
"density_atomic": 0.10383952002381518,
"volume": 57.78146893036413,
"volume_molar": 5.799468986970322,
"formula_full": "Li2 H2 O2",
"formula_reduced": "LiHO",
"formula_anonymous": "ABC",
"energy": -31.15245716,
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"updated_at": "2021-11-28T01:35:52.706000Z",
"spacegroup": 39
},
{
"id": "mp-22085",
"created_at": "2022-09-04T14:43:02.077907Z",
"structure_string": "Dy2 Cu2 Pb2\n1.0\n2.313011 -4.006252 0.000000\n2.313011 4.006252 0.000000\n0.000000 0.000000 7.392335\nDy Cu Pb\n2 2 2\ndirect\n0.000000 0.000000 0.995054 Dy\n0.000000 0.000000 0.495054 Dy\n0.333333 0.666667 0.821483 Cu\n0.666667 0.333333 0.321483 Cu\n0.666667 0.333333 0.726563 Pb\n0.333333 0.666667 0.226563 Pb\n",
"nsites": 6,
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"Cu",
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"density": 10.502339607728285,
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"volume": 137.00221766182221,
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"formula_full": "Dy2 Cu2 Pb2",
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"updated_at": "2021-11-28T01:36:12.762000Z",
"spacegroup": 186
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{
"id": "mp-14093",
"created_at": "2022-09-04T14:42:57.319607Z",
"structure_string": "Tb2 O2 F2\n1.0\n6.499036 -1.921760 0.000000\n6.499036 1.921760 0.000000\n5.930773 0.000000 3.279720\nTb O F\n2 2 2\ndirect\n0.741007 0.741007 0.741007 Tb\n0.258993 0.258993 0.258993 Tb\n0.621944 0.621944 0.621944 O\n0.378056 0.378056 0.378056 O\n0.129855 0.129855 0.129855 F\n0.870145 0.870145 0.870145 F\n",
"nsites": 6,
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"volume": 81.92469932828452,
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"formula_full": "Tb2 O2 F2",
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"updated_at": "2021-11-28T01:35:55.978000Z",
"spacegroup": 166
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{
"id": "mp-1217299",
"created_at": "2022-09-04T14:43:00.504044Z",
"structure_string": "Th2 Mn1 Si3\n1.0\n-2.002663 2.129625 7.167079\n2.002663 -2.129625 7.167079\n2.002663 2.129625 -7.167079\nTh Mn Si\n2 1 3\ndirect\n0.751934 0.251934 0.500000 Th\n0.001764 0.001764 0.000000 Th\n0.163233 0.663233 0.500000 Mn\n0.587359 0.587359 0.000000 Si\n0.326561 0.826561 0.500000 Si\n0.419148 0.419148 0.000000 Si\n",
"nsites": 6,
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"elements": [
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"density": 8.193097282963262,
"density_atomic": 0.0490724856798026,
"volume": 122.26810842943497,
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"formula_full": "Th2 Mn1 Si3",
"formula_reduced": "Th2MnSi3",
"formula_anonymous": "AB2C3",
"energy": -43.71649528,
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"updated_at": "2021-11-28T01:36:03.990000Z",
"spacegroup": 44
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{
"id": "mp-1094579",
"created_at": "2022-09-04T14:42:50.272928Z",
"structure_string": "Li2 Mg4\n1.0\n1.562688 -8.228166 0.000000\n1.562688 8.228166 0.000000\n0.000000 0.000000 5.069189\nLi Mg\n2 4\ndirect\n0.444811 0.555189 0.250000 Li\n0.555189 0.444811 0.750000 Li\n0.108822 0.891178 0.250000 Mg\n0.779331 0.220669 0.250000 Mg\n0.220669 0.779331 0.750000 Mg\n0.891178 0.108822 0.750000 Mg\n",
"nsites": 6,
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],
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"density": 1.4152304783337015,
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"volume": 130.35983481263884,
"volume_molar": 13.084087911534324,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy": -10.49772968,
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"updated_at": "2021-11-28T01:35:52.919000Z",
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}
]
}