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{
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"results": [
{
"id": "mp-1898",
"created_at": "2022-09-04T14:41:16.658479Z",
"structure_string": "Ce2 Si4\n1.0\n-2.047192 2.047192 7.075325\n2.047192 -2.047192 7.075325\n2.047192 2.047192 -7.075325\nCe Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.166496 0.666496 0.500000 Si\n0.583504 0.583504 0.000000 Si\n0.333504 0.833504 0.500000 Si\n0.416496 0.416496 0.000000 Si\n",
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{
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"structure_string": "Ce2 Si3 Pt3\n1.0\n2.735045 0.000000 0.000000\n0.000000 2.735045 0.000000\n0.000000 0.000000 21.069509\nCe Si Pt\n2 3 3\ndirect\n0.500000 0.500000 0.753811 Ce\n0.500000 0.500000 0.246189 Ce\n0.500000 0.500000 0.387719 Si\n0.500000 0.500000 0.612281 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.112234 Pt\n0.500000 0.500000 0.887766 Pt\n0.500000 0.500000 0.500000 Pt\n",
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"updated_at": "2021-11-28T01:35:43.016000Z",
"spacegroup": 123
},
{
"id": "mp-1226898",
"created_at": "2022-09-04T14:39:24.390316Z",
"structure_string": "Ce2 Si3 Ni1\n1.0\n2.037468 -3.528998 0.000000\n2.037468 3.528998 0.000000\n0.000000 0.000000 8.015568\nCe Si Ni\n2 3 1\ndirect\n0.333333 0.666667 0.242822 Ce\n0.333333 0.666667 0.757178 Ce\n0.666667 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Ni\n",
"nsites": 6,
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"elements": [
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"density": 6.096346937827697,
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"volume": 115.2674026584206,
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"formula_full": "Ce2 Si3 Ni1",
"formula_reduced": "Ce2Si3Ni",
"formula_anonymous": "AB2C3",
"energy": -38.13310612,
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"updated_at": "2021-11-28T01:34:36.893000Z",
"spacegroup": 187
},
{
"id": "mp-1226801",
"created_at": "2022-09-04T14:41:33.747213Z",
"structure_string": "Ce2 Si3\n1.0\n-1.948887 2.080572 6.974685\n1.948887 -2.080572 6.974685\n1.948887 2.080572 -6.974685\nCe Si\n2 3\ndirect\n0.627978 0.127978 0.500000 Ce\n0.875176 0.875176 0.000000 Ce\n0.462947 0.462947 0.000000 Si\n0.201968 0.701968 0.500000 Si\n0.295930 0.295930 0.000000 Si\n",
"nsites": 5,
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"elements": [
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"density": 5.350309804589661,
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"volume": 113.12380323420416,
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"formula_full": "Ce2 Si3",
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"formula_anonymous": "A2B3",
"energy": -30.82711464,
"energy_per_atom": -6.165422928,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.009000Z",
"spacegroup": 44
},
{
"id": "mp-1213857",
"created_at": "2022-09-04T14:41:29.246690Z",
"structure_string": "Ce2 Si2 Sn4\n1.0\n0.000000 0.000000 4.330975\n4.164894 0.000000 0.000000\n-2.082447 11.819365 0.000000\nCe Si Sn\n2 2 4\ndirect\n0.250000 0.365080 0.730161 Ce\n0.750000 0.634920 0.269839 Ce\n0.250000 0.149202 0.298403 Si\n0.750000 0.850798 0.701597 Si\n0.250000 0.750668 0.501337 Sn\n0.750000 0.249332 0.498663 Sn\n0.250000 0.040685 0.081369 Sn\n0.750000 0.959315 0.918631 Sn\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.31853340378933,
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"volume": 213.19831801441526,
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"formula_full": "Ce2 Si2 Sn4",
"formula_reduced": "CeSiSn2",
"formula_anonymous": "ABC2",
"energy": -40.4318274,
"energy_per_atom": -5.053978425,
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"updated_at": "2021-11-28T01:35:08.777000Z",
"spacegroup": 63
},
{
"id": "mp-1205654",
"created_at": "2022-09-04T14:47:30.366906Z",
"structure_string": "Ce2 Si2 Ru4 C2\n1.0\n1.947174 -5.604715 0.000000\n1.947174 5.604715 0.000000\n0.000000 0.000000 7.142451\nCe Si Ru C\n2 2 4 2\ndirect\n0.551919 0.448081 0.250000 Ce\n0.448081 0.551919 0.750000 Ce\n0.272066 0.727934 0.250000 Si\n0.727934 0.272066 0.750000 Si\n0.835865 0.164135 0.056513 Ru\n0.164135 0.835865 0.943487 Ru\n0.164135 0.835865 0.556513 Ru\n0.835865 0.164135 0.443487 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Si",
"Ru",
"C"
],
"chemical_system": "C-Ce-Ru-Si",
"density": 8.14530077346083,
"density_atomic": 0.06414524070643424,
"volume": 155.89621131465995,
"volume_molar": 9.388289284875869,
"formula_full": "Ce2 Si2 Ru4 C2",
"formula_reduced": "CeSiRu2C",
"formula_anonymous": "ABCD2",
"energy": -83.91863899,
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"updated_at": "2021-11-28T01:38:14.096000Z",
"spacegroup": 63
},
{
"id": "mp-8653",
"created_at": "2022-09-04T14:46:03.218482Z",
"structure_string": "Ce2 Si2 Ru2\n1.0\n4.215574 0.000000 0.000000\n0.000000 4.215574 0.000000\n0.000000 0.000000 6.736706\nCe Si Ru\n2 2 2\ndirect\n0.500000 0.000000 0.679644 Ce\n0.000000 0.500000 0.320356 Ce\n0.500000 0.000000 0.187145 Si\n0.000000 0.500000 0.812855 Si\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n",
"nsites": 6,
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"elements": [
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],
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"density": 7.469791051078486,
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"volume": 119.71843448215986,
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"formula_full": "Ce2 Si2 Ru2",
"formula_reduced": "CeSiRu",
"formula_anonymous": "ABC",
"energy": -45.71386248,
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"updated_at": "2021-11-28T01:37:20.226000Z",
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{
"id": "mp-31078",
"created_at": "2022-09-04T14:45:54.604551Z",
"structure_string": "Ce2 Si2 Rh4\n1.0\n1.995366 -9.153859 0.000000\n1.995366 9.153859 0.000000\n0.000000 0.000000 4.037200\nCe Si Rh\n2 2 4\ndirect\n0.099268 0.900732 0.750000 Ce\n0.900732 0.099268 0.250000 Ce\n0.320807 0.679193 0.750000 Si\n0.679193 0.320807 0.250000 Si\n0.549838 0.450162 0.250000 Rh\n0.450162 0.549838 0.750000 Rh\n0.250130 0.749870 0.250000 Rh\n0.749870 0.250130 0.750000 Rh\n",
"nsites": 8,
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"Rh"
],
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"density": 8.422250681100365,
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"volume": 147.48133038604612,
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"formula_full": "Ce2 Si2 Rh4",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:15.071000Z",
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{
"id": "mp-1206104",
"created_at": "2022-09-04T14:47:30.548298Z",
"structure_string": "Ce2 Si2 Pt4\n1.0\n3.993029 0.000000 0.000000\n0.000000 0.000000 4.132960\n-1.996515 -9.388993 0.000000\nCe Si Pt\n2 2 4\ndirect\n0.600839 0.250000 0.201679 Ce\n0.399161 0.750000 0.798321 Ce\n0.824742 0.250000 0.649484 Si\n0.175258 0.750000 0.350516 Si\n0.951102 0.250000 0.902204 Pt\n0.048898 0.750000 0.097796 Pt\n0.251159 0.250000 0.502318 Pt\n0.748841 0.750000 0.497682 Pt\n",
"nsites": 8,
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"formula_full": "Ce2 Si2 Pt4",
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{
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"structure_string": "Ce2 Si2 Pt2\n1.0\n-2.077251 2.077251 7.315942\n2.077251 -2.077251 7.315942\n2.077251 2.077251 -7.315942\nCe Si Pt\n2 2 2\ndirect\n0.749886 0.249886 0.500000 Ce\n0.999886 0.999886 0.000000 Ce\n0.168614 0.668614 0.500000 Si\n0.418614 0.418614 0.000000 Si\n0.335500 0.835500 0.500000 Pt\n0.585500 0.585500 0.000000 Pt\n",
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{
"id": "mp-1205921",
"created_at": "2022-09-04T14:44:18.834010Z",
"structure_string": "Ce2 Si2 Os4 C2\n1.0\n1.977835 -5.587124 0.000000\n1.977835 5.587124 0.000000\n0.000000 0.000000 7.138044\nCe Si Os C\n2 2 4 2\ndirect\n0.552329 0.447671 0.250000 Ce\n0.447671 0.552329 0.750000 Ce\n0.272298 0.727702 0.250000 Si\n0.727702 0.272298 0.750000 Si\n0.834535 0.165465 0.057239 Os\n0.165465 0.834535 0.942761 Os\n0.165465 0.834535 0.557239 Os\n0.834535 0.165465 0.442761 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"volume": 157.75661698103195,
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"formula_full": "Ce2 Si2 Os4 C2",
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"updated_at": "2021-11-28T01:36:35.307000Z",
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},
{
"id": "mp-505005",
"created_at": "2022-09-04T14:46:21.211227Z",
"structure_string": "Ce2 Si2 Os2\n1.0\n4.208207 0.000000 0.000000\n0.000000 4.208207 0.000000\n0.000000 0.000000 6.807490\nCe Si Os\n2 2 2\ndirect\n0.500000 0.000000 0.680589 Ce\n0.000000 0.500000 0.319411 Ce\n0.500000 0.000000 0.188724 Si\n0.000000 0.500000 0.811276 Si\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.000000 Os\n",
"nsites": 6,
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"elements": [
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"density": 9.874248710200904,
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"formula_full": "Ce2 Si2 Os2",
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}
]
}