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{
"id": "mp-1191722",
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"structure_string": "Ho6 Ga4 Ni12\n1.0\n-4.429878 4.429878 4.429878\n4.429878 -4.429878 4.429878\n4.429878 4.429878 -4.429878\nHo Ga Ni\n6 4 12\ndirect\n0.709771 0.709771 0.000000 Ho\n0.290229 0.000000 0.290229 Ho\n0.000000 0.290229 0.290229 Ho\n0.290229 0.290229 0.000000 Ho\n0.709771 0.000000 0.709771 Ho\n0.000000 0.709771 0.709771 Ho\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.339052 0.339052 0.678105 Ni\n0.660948 0.000000 0.339052 Ni\n0.000000 0.660948 0.339052 Ni\n0.660948 0.339052 0.000000 Ni\n0.339052 0.678105 0.339052 Ni\n0.000000 0.339052 0.660948 Ni\n0.339052 0.660948 0.000000 Ni\n0.339052 0.000000 0.660948 Ni\n0.678105 0.339052 0.339052 Ni\n0.660948 0.660948 0.321895 Ni\n0.660948 0.321895 0.660948 Ni\n0.321895 0.660948 0.660948 Ni\n",
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{
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{
"id": "mp-1188512",
"created_at": "2022-09-04T14:44:24.059532Z",
"structure_string": "Ga14 Pt6\n1.0\n-4.438377 4.438377 4.438377\n4.438377 -4.438377 4.438377\n4.438377 4.438377 -4.438377\nGa Pt\n14 6\ndirect\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.750000 0.250000 Ga\n0.000000 0.000000 0.328508 Ga\n0.000000 0.328508 0.000000 Ga\n0.328508 0.000000 0.000000 Ga\n0.671492 0.671492 0.671492 Ga\n0.000000 0.000000 0.671492 Ga\n0.000000 0.671492 0.000000 Ga\n0.671492 0.000000 0.000000 Ga\n0.328508 0.328508 0.328508 Ga\n0.659364 0.659364 0.000000 Pt\n0.340636 0.000000 0.340636 Pt\n0.000000 0.340636 0.340636 Pt\n0.340636 0.340636 0.000000 Pt\n0.659364 0.000000 0.659364 Pt\n0.000000 0.659364 0.659364 Pt\n",
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"elements": [
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"spacegroup": 229
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{
"id": "mp-1216502",
"created_at": "2022-09-04T14:44:24.221074Z",
"structure_string": "Y4 Ga6 Fe1 Ge6\n1.0\n-4.335970 4.335970 4.335970\n4.335970 -4.335970 4.335970\n4.335970 4.335970 -4.335970\nY Ga Fe Ge\n4 6 1 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.750000 0.250000 Ga\n0.000000 0.000000 0.000000 Fe\n0.711639 0.711639 0.000000 Ge\n0.288361 0.000000 0.288361 Ge\n0.000000 0.288361 0.288361 Ge\n0.288361 0.288361 0.000000 Ge\n0.711639 0.000000 0.711639 Ge\n0.000000 0.711639 0.711639 Ge\n",
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"formula_full": "Y4 Ga6 Fe1 Ge6",
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"updated_at": "2021-11-28T01:36:41.334000Z",
"spacegroup": 229
},
{
"id": "mp-8792",
"created_at": "2022-09-04T14:44:24.870212Z",
"structure_string": "Yb11 Ni60 C6\n1.0\n-6.163236 6.163236 6.163236\n6.163236 -6.163236 6.163236\n6.163236 6.163236 -6.163236\nYb Ni C\n11 60 6\ndirect\n0.000000 0.000000 0.665309 Yb\n0.334691 0.000000 0.000000 Yb\n0.665309 0.665309 0.665309 Yb\n0.000000 0.334691 0.000000 Yb\n0.334691 0.334691 0.334691 Yb\n0.000000 0.665309 0.000000 Yb\n0.665309 0.000000 0.000000 Yb\n0.000000 0.000000 0.334691 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.347590 0.767163 0.767163 Ni\n0.767163 0.347590 0.767163 Ni\n0.419573 0.419573 0.652410 Ni\n0.000000 0.232837 0.580427 Ni\n0.419573 0.767163 0.000000 Ni\n0.232837 0.000000 0.580427 Ni\n0.767163 0.419573 0.000000 Ni\n0.767163 0.767163 0.347590 Ni\n0.580427 0.580427 0.347590 Ni\n0.000000 0.767163 0.419573 Ni\n0.767163 0.000000 0.419573 Ni\n0.232837 0.652410 0.232837 Ni\n0.652410 0.232837 0.232837 Ni\n0.419573 0.000000 0.767163 Ni\n0.347590 0.580427 0.580427 Ni\n0.580427 0.347590 0.580427 Ni\n0.000000 0.419573 0.767163 Ni\n0.652410 0.419573 0.419573 Ni\n0.000000 0.580427 0.232837 Ni\n0.580427 0.000000 0.232837 Ni\n0.419573 0.652410 0.419573 Ni\n0.232837 0.580427 0.000000 Ni\n0.580427 0.232837 0.000000 Ni\n0.232837 0.232837 0.652410 Ni\n0.683967 0.832516 0.148548 Ni\n0.148548 0.683967 0.832516 Ni\n0.464581 0.148548 0.316033 Ni\n0.316033 0.167485 0.851452 Ni\n0.148548 0.832516 0.683967 Ni\n0.851452 0.683967 0.535419 Ni\n0.148548 0.464581 0.316033 Ni\n0.832516 0.148548 0.683967 Ni\n0.851452 0.535419 0.683967 Ni\n0.316033 0.148548 0.464581 Ni\n0.832516 0.683967 0.148548 Ni\n0.167484 0.316033 0.851452 Ni\n0.316033 0.851452 0.167484 Ni\n0.464581 0.316033 0.148548 Ni\n0.683967 0.851452 0.535419 Ni\n0.535419 0.683967 0.851452 Ni\n0.683967 0.148548 0.832516 Ni\n0.316033 0.464581 0.148548 Ni\n0.683967 0.535419 0.851452 Ni\n0.851452 0.316033 0.167484 Ni\n0.148548 0.316033 0.464581 Ni\n0.167484 0.851452 0.316033 Ni\n0.535419 0.851452 0.683967 Ni\n0.851452 0.167484 0.316033 Ni\n0.857528 0.000000 0.857528 Ni\n0.857528 0.857528 0.000000 Ni\n0.142472 0.142472 0.000000 Ni\n0.000000 0.857528 0.857528 Ni\n0.000000 0.142472 0.142472 Ni\n0.142472 0.000000 0.142472 Ni\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.500000 0.750000 0.250000 Ni\n0.250000 0.500000 0.750000 Ni\n0.750000 0.500000 0.250000 Ni\n0.500000 0.250000 0.750000 Ni\n0.709417 0.000000 0.709417 C\n0.709417 0.709417 0.000000 C\n0.290583 0.290583 0.000000 C\n0.000000 0.709417 0.709417 C\n0.000000 0.290583 0.290583 C\n0.290583 0.000000 0.290583 C\n",
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"formula_full": "Yb11 Ni60 C6",
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{
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{
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{
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{
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"structure_string": "Lu4 Ge6 Os7\n1.0\n-4.156997 4.156997 4.156997\n4.156997 -4.156997 4.156997\n4.156997 4.156997 -4.156997\nLu Ge Os\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.500000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.690175 0.690175 0.000000 Ge\n0.309825 0.000000 0.309825 Ge\n0.000000 0.309825 0.309825 Ge\n0.309825 0.309825 0.000000 Ge\n0.690175 0.000000 0.690175 Ge\n0.000000 0.690175 0.690175 Ge\n0.750000 0.250000 0.500000 Os\n0.750000 0.500000 0.250000 Os\n0.500000 0.250000 0.750000 Os\n0.250000 0.500000 0.750000 Os\n0.250000 0.750000 0.500000 Os\n0.500000 0.750000 0.250000 Os\n0.000000 0.000000 0.000000 Os\n",
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{
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{
"id": "mp-1189923",
"created_at": "2022-09-04T14:44:50.843464Z",
"structure_string": "Tm4 Ge6 Ir7\n1.0\n-4.179284 4.179284 4.179284\n4.179284 -4.179284 4.179284\n4.179284 4.179284 -4.179284\nTm Ge Ir\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.683508 0.683508 0.000000 Ge\n0.316492 0.000000 0.316492 Ge\n0.000000 0.316492 0.316492 Ge\n0.316492 0.316492 0.000000 Ge\n0.683508 0.000000 0.683508 Ge\n0.000000 0.683508 0.683508 Ge\n0.750000 0.250000 0.500000 Ir\n0.750000 0.500000 0.250000 Ir\n0.500000 0.250000 0.750000 Ir\n0.250000 0.500000 0.750000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.750000 0.250000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Tm",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Tm",
"density": 13.973511281892684,
"density_atomic": 0.058221484838844074,
"volume": 291.9884308525567,
"volume_molar": 10.343502534621312,
"formula_full": "Tm4 Ge6 Ir7",
"formula_reduced": "Tm4Ge6Ir7",
"formula_anonymous": "A4B6C7",
"energy": -122.73815586,
"energy_per_atom": -7.219891521176471,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.73815586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001656,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.744000Z",
"spacegroup": 229
},
{
"id": "mp-1190081",
"created_at": "2022-09-04T14:44:53.029018Z",
"structure_string": "Ce4 Si1 Rh12\n1.0\n-4.160298 4.160298 4.160298\n4.160298 -4.160298 4.160298\n4.160298 4.160298 -4.160298\nCe Si Rh\n4 1 12\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Rh\n0.750000 0.500000 0.250000 Rh\n0.500000 0.250000 0.750000 Rh\n0.250000 0.500000 0.750000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.750000 0.250000 Rh\n0.721024 0.721024 0.000000 Rh\n0.278976 0.000000 0.278976 Rh\n0.000000 0.278976 0.278976 Rh\n0.278976 0.278976 0.000000 Rh\n0.721024 0.000000 0.721024 Rh\n0.000000 0.721024 0.721024 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Rh"
],
"chemical_system": "Ce-Rh-Si",
"density": 10.51238912417566,
"density_atomic": 0.059022229430234684,
"volume": 288.0270732588016,
"volume_molar": 10.203173987384323,
"formula_full": "Ce4 Si1 Rh12",
"formula_reduced": "Ce4SiRh12",
"formula_anonymous": "AB4C12",
"energy": -129.82985573,
"energy_per_atom": -7.637050337058823,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.82985573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.021784,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.988000Z",
"spacegroup": 229
}
]
}