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{
"id": "mp-1096315",
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"structure_string": "Ti2 Fe1 Co1\n1.0\n-3.957539 6.156583 8.467853\n3.957539 -6.156583 8.467853\n3.957539 6.156583 -8.467853\nTi Fe Co\n2 1 1\ndirect\n0.000000 0.245095 0.245095 Ti\n0.000000 0.754905 0.754905 Ti\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Co\n",
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{
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{
"id": "mp-1097631",
"created_at": "2022-09-04T14:42:04.257047Z",
"structure_string": "Ba2 Mg1 Tl1\n1.0\n-6.718384 7.199873 10.180575\n6.718384 -7.199873 10.180575\n6.718384 7.199873 -10.180575\nBa Mg Tl\n2 1 1\ndirect\n0.000000 0.259968 0.259968 Ba\n0.000000 0.740032 0.740032 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n",
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"elements": [
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"density": 0.4243171338101535,
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"volume": 1969.7992054128472,
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"formula_full": "Ba2 Mg1 Tl1",
"formula_reduced": "Ba2MgTl",
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"updated_at": "2021-11-28T01:35:35.515000Z",
"spacegroup": 71
},
{
"id": "mp-1097081",
"created_at": "2022-09-04T14:40:00.968672Z",
"structure_string": "Al2 Fe1 Tc1\n1.0\n-4.953993 5.309016 7.723454\n4.953993 -5.309016 7.723454\n4.953993 5.309016 -7.723454\nAl Fe Tc\n2 1 1\ndirect\n0.000000 0.250981 0.250981 Al\n0.000000 0.749019 0.749019 Al\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Fe-Tc",
"density": 0.42468854105579595,
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"volume": 812.5329439964632,
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"formula_full": "Al2 Fe1 Tc1",
"formula_reduced": "Al2FeTc",
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{
"id": "mp-1093898",
"created_at": "2022-09-04T14:47:38.516960Z",
"structure_string": "Mn2 Be1 Cr1\n1.0\n-4.798721 5.125782 6.790542\n4.798721 -5.125782 6.790542\n4.798721 5.125782 -6.790542\nMn Be Cr\n2 1 1\ndirect\n0.224920 0.000000 0.224920 Mn\n0.775080 0.000000 0.775080 Mn\n0.000000 0.000000 0.000000 Be\n0.500000 0.000000 0.500000 Cr\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.4247186979490389,
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"volume": 668.1132169308329,
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"formula_full": "Mn2 Be1 Cr1",
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"energy": -19.86586781,
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"updated_at": "2021-11-28T01:38:16.805000Z",
"spacegroup": 71
},
{
"id": "mp-1095720",
"created_at": "2022-09-04T14:48:05.109895Z",
"structure_string": "Ti2 Be1 Mo1\n1.0\n-4.789315 5.382487 7.604198\n4.789315 -5.382487 7.604198\n4.789315 5.382487 -7.604198\nTi Be Mo\n2 1 1\ndirect\n0.000000 0.273700 0.273700 Ti\n0.000000 0.726300 0.726300 Ti\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Mo\n",
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"elements": [
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],
"chemical_system": "Be-Mo-Ti",
"density": 0.4250076707849961,
"density_atomic": 0.005101409559790181,
"volume": 784.0970134075098,
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"formula_full": "Ti2 Be1 Mo1",
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"updated_at": "2021-11-28T01:38:24.110000Z",
"spacegroup": 71
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{
"id": "mp-1208620",
"created_at": "2022-09-04T14:47:59.904459Z",
"structure_string": "Zn24 Si2 Ni8\n1.0\n-15.996837 -15.996837 0.000000\n-15.996837 -0.000000 -15.996837\n0.000000 -15.996837 -15.996837\nZn Si Ni\n24 2 8\ndirect\n0.560286 0.560286 0.189989 Zn\n0.689440 0.189989 0.560286 Zn\n0.189989 0.689440 0.560286 Zn\n0.560286 0.189989 0.560286 Zn\n0.060560 0.189714 0.560011 Zn\n0.189714 0.189714 0.560011 Zn\n0.560286 0.560286 0.689440 Zn\n0.189989 0.560286 0.689440 Zn\n0.189714 0.560011 0.189714 Zn\n0.060560 0.560011 0.189714 Zn\n0.689440 0.560286 0.189989 Zn\n0.189714 0.060560 0.189714 Zn\n0.560011 0.060560 0.189714 Zn\n0.560286 0.689440 0.560286 Zn\n0.560011 0.189714 0.060560 Zn\n0.189714 0.189714 0.060560 Zn\n0.189989 0.560286 0.560286 Zn\n0.560286 0.189989 0.689440 Zn\n0.689440 0.560286 0.560286 Zn\n0.560286 0.689440 0.189989 Zn\n0.189714 0.560011 0.060560 Zn\n0.560011 0.189714 0.189714 Zn\n0.189714 0.060560 0.560011 Zn\n0.060560 0.189714 0.189714 Zn\n-0.000000 -0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Si\n0.787865 0.787865 0.787865 Ni\n0.636404 0.787865 0.787865 Ni\n0.787865 0.636404 0.787865 Ni\n0.113596 0.962135 0.962135 Ni\n0.962135 0.962135 0.962135 Ni\n0.787865 0.787865 0.636404 Ni\n0.962135 0.113596 0.962135 Ni\n0.962135 0.962135 0.113596 Ni\n",
"nsites": 34,
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"elements": [
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],
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"density": 0.42502208374103917,
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"volume": 8187.142592375334,
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"formula_full": "Zn24 Si2 Ni8",
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"updated_at": "2021-11-28T01:38:31.546000Z",
"spacegroup": 227
},
{
"id": "mp-1096336",
"created_at": "2022-09-04T14:44:01.049419Z",
"structure_string": "Ca1 Y1 Ag2\n1.0\n-5.986376 6.308494 8.912941\n5.986376 -6.308494 8.912941\n5.986376 6.308494 -8.912941\nCa Y Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.250402 0.250402 Ag\n0.000000 0.749598 0.749598 Ag\n",
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"elements": [
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],
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"density_atomic": 0.002970908544946152,
"volume": 1346.3894763116987,
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"formula_full": "Ca1 Y1 Ag2",
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"updated_at": "2021-11-28T01:36:22.631000Z",
"spacegroup": 71
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{
"id": "mp-1097503",
"created_at": "2022-09-04T14:42:01.806422Z",
"structure_string": "Ca2 Tl1 Sn1\n1.0\n-6.201427 6.704326 9.461468\n6.201427 -6.704326 9.461468\n6.201427 6.704326 -9.461468\nCa Tl Sn\n2 1 1\ndirect\n0.000000 0.243827 0.243827 Ca\n0.000000 0.756173 0.756173 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "mp-1097221",
"created_at": "2022-09-04T14:47:14.321079Z",
"structure_string": "Y2 Mg1 Hg1\n1.0\n-6.147972 6.377526 10.018809\n6.147972 -6.377526 10.018809\n6.147972 6.377526 -10.018809\nY Mg Hg\n2 1 1\ndirect\n0.264053 0.000000 0.264053 Y\n0.735947 0.000000 0.735947 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
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{
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"structure_string": "Ca1 C12\n1.0\n-2.622782 -4.542791 0.000000\n-3.163339 4.854882 0.000000\n0.000000 0.000000 -26.512971\nCa C\n1 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.618729 0.499898 0.500000 C\n0.381271 0.500102 0.500000 C\n0.527128 0.813463 0.000000 C\n0.881169 0.499898 0.500000 C\n0.472872 0.186537 0.000000 C\n0.118831 0.500102 0.500000 C\n0.000000 0.500000 0.666232 C\n0.286335 0.813463 0.000000 C\n0.000000 0.500000 0.333768 C\n0.713665 0.186537 0.000000 C\n0.500000 0.500000 0.333768 C\n0.500000 0.500000 0.666232 C\n",
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"volume": 718.5992160120592,
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"formula_full": "Ca1 C12",
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"energy": -72.20133207,
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{
"id": "mp-1093608",
"created_at": "2022-09-04T14:42:52.323832Z",
"structure_string": "La2 Ga1 Cu1\n1.0\n-5.347984 7.314074 10.245096\n5.347984 -7.314074 10.245096\n5.347984 7.314074 -10.245096\nLa Ga Cu\n2 1 1\ndirect\n0.000000 0.243737 0.243737 La\n0.000000 0.756263 0.756263 La\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
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"formula_full": "La2 Ga1 Cu1",
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}
]
}