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{
"id": "mp-4808",
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"structure_string": "Nd2 Ag2 Sn2\n1.0\n2.411372 -4.176618 0.000000\n2.411372 4.176618 0.000000\n0.000000 0.000000 7.676005\nNd Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.761196 Nd\n0.000000 0.000000 0.261196 Nd\n0.666667 0.333333 0.958036 Ag\n0.333333 0.666667 0.458036 Ag\n0.333333 0.666667 0.040768 Sn\n0.666667 0.333333 0.540768 Sn\n",
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{
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"nsites": 142,
"nelements": 2,
"elements": [
"Ho",
"Zn"
],
"chemical_system": "Ho-Zn",
"density": 7.965082506909298,
"density_atomic": 0.05735519792030818,
"volume": 2475.8000172416982,
"volume_molar": 10.499729716506996,
"formula_full": "Ho26 Zn116",
"formula_reduced": "Ho13Zn58",
"formula_anonymous": "A13B58",
"energy": -310.90401379,
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"updated_at": "2021-11-28T01:36:47.806000Z",
"spacegroup": 194
},
{
"id": "mp-1078717",
"created_at": "2022-09-04T14:43:24.480233Z",
"structure_string": "La2 Ni4 Sn4\n1.0\n4.489526 0.000000 0.000000\n0.000000 4.489526 0.000000\n0.000000 0.000000 10.213164\nLa Ni Sn\n2 4 4\ndirect\n0.000000 0.500000 0.242366 La\n0.500000 0.000000 0.757634 La\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.627487 Ni\n0.500000 0.000000 0.372513 Ni\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.876110 Sn\n0.500000 0.000000 0.123890 Sn\n",
"nsites": 10,
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"Ni",
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],
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"volume": 205.85493731422355,
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"formula_full": "La2 Ni4 Sn4",
"formula_reduced": "La(NiSn)2",
"formula_anonymous": "AB2C2",
"energy": -54.68574019,
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"spacegroup": 129
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{
"id": "mp-867290",
"created_at": "2022-09-04T14:40:03.590160Z",
"structure_string": "Tb1 Te1\n1.0\n2.057698 -3.564037 0.000000\n2.057698 3.564037 0.000000\n0.000000 0.000000 4.072530\nTb Te\n1 1\ndirect\n0.666667 0.333333 0.500000 Tb\n0.333333 0.666667 0.000000 Te\n",
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{
"id": "mp-1183682",
"created_at": "2022-09-04T14:47:28.654603Z",
"structure_string": "Cr3 As1\n1.0\n0.000000 2.887280 2.887280\n2.887280 0.000000 2.887280\n2.887280 2.887280 0.000000\nCr As\n3 1\ndirect\n0.250000 0.250000 0.250000 Cr\n0.750000 0.750000 0.750000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 As\n",
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"spacegroup": 225
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{
"id": "mp-30554",
"created_at": "2022-09-04T14:43:41.293143Z",
"structure_string": "Pr2 Ga2 Co4\n1.0\n3.734053 0.000000 0.000000\n0.000000 5.282200 0.000000\n0.000000 0.000000 6.944041\nPr Ga Co\n2 2 4\ndirect\n0.000000 0.250000 0.672214 Pr\n0.000000 0.750000 0.327786 Pr\n0.000000 0.250000 0.115153 Ga\n0.000000 0.750000 0.884847 Ga\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.250000 0.332325 Co\n0.500000 0.750000 0.667675 Co\n",
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{
"id": "mp-1200627",
"created_at": "2022-09-04T14:46:38.917530Z",
"structure_string": "Ta12 Cr32 Si32\n1.0\n0.000000 0.000000 4.812015\n13.088232 0.000000 0.000000\n0.000000 15.669586 0.000000\nTa Cr Si\n12 32 32\ndirect\n0.250000 0.564234 0.305031 Ta\n0.250000 0.064234 0.194969 Ta\n0.750000 0.435766 0.694969 Ta\n0.750000 0.935766 0.805031 Ta\n0.250000 0.865123 0.457915 Ta\n0.250000 0.365123 0.042085 Ta\n0.750000 0.134877 0.542085 Ta\n0.750000 0.634877 0.957915 Ta\n0.250000 0.751439 0.028266 Ta\n0.250000 0.251439 0.471734 Ta\n0.750000 0.248561 0.971734 Ta\n0.750000 0.748561 0.528266 Ta\n0.993048 0.866433 0.172169 Cr\n0.506952 0.366433 0.327831 Cr\n0.493048 0.133567 0.827831 Cr\n0.006952 0.633567 0.672169 Cr\n0.006952 0.133567 0.827831 Cr\n0.493048 0.633567 0.672169 Cr\n0.506952 0.866433 0.172169 Cr\n0.993048 0.366433 0.327831 Cr\n0.010391 0.560222 0.122438 Cr\n0.489609 0.060222 0.377562 Cr\n0.510391 0.439778 0.877562 Cr\n0.989609 0.939778 0.622438 Cr\n0.989609 0.439778 0.877562 Cr\n0.510391 0.939778 0.622438 Cr\n0.489609 0.560222 0.122438 Cr\n0.010391 0.060222 0.377562 Cr\n0.250000 0.637051 0.845130 Cr\n0.250000 0.137051 0.654870 Cr\n0.750000 0.362949 0.154870 Cr\n0.750000 0.862949 0.345130 Cr\n0.250000 0.956943 0.905622 Cr\n0.250000 0.456943 0.594378 Cr\n0.750000 0.043057 0.094378 Cr\n0.750000 0.543057 0.405622 Cr\n0.250000 0.624300 0.506933 Cr\n0.250000 0.124300 0.993067 Cr\n0.750000 0.375700 0.493067 Cr\n0.750000 0.875700 0.006933 Cr\n0.250000 0.812456 0.750689 Cr\n0.250000 0.312456 0.749311 Cr\n0.750000 0.187544 0.249311 Cr\n0.750000 0.687544 0.250689 Cr\n0.999305 0.711286 0.381830 Si\n0.500695 0.211285 0.118170 Si\n0.499305 0.288714 0.618170 Si\n0.000695 0.788714 0.881830 Si\n0.000695 0.288714 0.618170 Si\n0.499305 0.788714 0.881830 Si\n0.500695 0.711286 0.381830 Si\n0.999305 0.211285 0.118170 Si\n0.250000 0.709708 0.194989 Si\n0.250000 0.209708 0.305011 Si\n0.750000 0.290292 0.805011 Si\n0.750000 0.790292 0.694989 Si\n0.250000 0.910082 0.300917 Si\n0.250000 0.410082 0.199083 Si\n0.750000 0.089918 0.699083 Si\n0.750000 0.589918 0.800917 Si\n0.250000 0.550244 0.981693 Si\n0.250000 0.050244 0.518307 Si\n0.750000 0.449756 0.018307 Si\n0.750000 0.949756 0.481693 Si\n0.250000 0.952815 0.056129 Si\n0.250000 0.452815 0.443871 Si\n0.750000 0.047185 0.943871 Si\n0.750000 0.547185 0.556129 Si\n0.250000 0.774427 0.604067 Si\n0.250000 0.274427 0.895933 Si\n0.750000 0.225573 0.395933 Si\n0.750000 0.725573 0.104067 Si\n0.250000 0.996746 0.751708 Si\n0.250000 0.496746 0.748292 Si\n0.750000 0.003254 0.248292 Si\n0.750000 0.503254 0.251708 Si\n",
"nsites": 76,
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"formula_full": "Ta12 Cr32 Si32",
"formula_reduced": "Ta3(CrSi)8",
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{
"id": "mp-1191649",
"created_at": "2022-09-04T14:40:11.687685Z",
"structure_string": "Ca2 Si14 Ir6\n1.0\n7.063766 -3.819306 0.000000\n7.063766 3.819306 0.000000\n4.998706 0.000000 6.284650\nCa Si Ir\n2 14 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.066719 0.849765 0.672520 Si\n0.672520 0.066719 0.849765 Si\n0.849765 0.672520 0.066719 Si\n0.172520 0.349765 0.566719 Si\n0.566719 0.172520 0.349765 Si\n0.349765 0.566719 0.172520 Si\n0.933281 0.150235 0.327480 Si\n0.327480 0.933281 0.150235 Si\n0.150235 0.327480 0.933281 Si\n0.827480 0.650235 0.433281 Si\n0.433281 0.827480 0.650235 Si\n0.650235 0.433281 0.827480 Si\n0.750000 0.750000 0.750000 Si\n0.250000 0.250000 0.250000 Si\n0.070387 0.750000 0.429613 Ir\n0.429613 0.070387 0.750000 Ir\n0.750000 0.429613 0.070387 Ir\n0.929613 0.250000 0.570387 Ir\n0.570387 0.929613 0.250000 Ir\n0.250000 0.570387 0.929613 Ir\n",
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{
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{
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"structure_string": "Nd4 Ni4 Sn4 H4\n1.0\n4.385048 0.000000 0.000000\n0.000000 7.244213 0.000000\n0.000000 0.000000 8.469443\nNd Ni Sn H\n4 4 4 4\ndirect\n0.750000 0.013038 0.688902 Nd\n0.250000 0.986962 0.311098 Nd\n0.250000 0.486962 0.188902 Nd\n0.750000 0.513038 0.811098 Nd\n0.750000 0.779265 0.099345 Ni\n0.250000 0.220735 0.900655 Ni\n0.250000 0.720735 0.599345 Ni\n0.750000 0.279265 0.400655 Ni\n0.750000 0.658265 0.430843 Sn\n0.250000 0.341735 0.569157 Sn\n0.250000 0.841735 0.930843 Sn\n0.750000 0.158265 0.069157 Sn\n0.250000 0.441018 0.919482 H\n0.750000 0.558982 0.080518 H\n0.750000 0.058982 0.419482 H\n0.250000 0.941018 0.580518 H\n",
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}