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{
"id": "mp-35071",
"created_at": "2022-09-04T14:44:14.876140Z",
"structure_string": "In2 Ag2 Se4\n1.0\n-2.834041 2.834041 5.789044\n2.834041 -2.834041 5.789044\n2.834041 2.834041 -5.789044\nIn Ag Se\n2 2 4\ndirect\n0.000000 0.000000 0.000000 In\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.758601 0.758601 0.000000 Se\n0.508601 0.008601 0.500000 Se\n0.241399 0.241399 0.000000 Se\n0.991399 0.491399 0.500000 Se\n",
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{
"id": "mp-972966",
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"structure_string": "Sc2 Os1 Au1\n1.0\n0.000000 3.305963 3.305963\n3.305963 0.000000 3.305963\n3.305963 3.305963 0.000000\nSc Os Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Au\n",
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"spacegroup": 225
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{
"id": "mp-1185360",
"created_at": "2022-09-04T14:47:37.834433Z",
"structure_string": "Li1 Mn1 Ir2\n1.0\n0.000000 2.944692 2.944692\n2.944692 0.000000 2.944692\n2.944692 2.944692 0.000000\nLi Mn Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"density": 14.512393748998573,
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"volume": 51.06809117598844,
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"formula_full": "Li1 Mn1 Ir2",
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"updated_at": "2021-11-28T01:38:15.046000Z",
"spacegroup": 225
},
{
"id": "mp-1345071",
"created_at": "2022-09-04T14:47:15.628307Z",
"structure_string": "Na3 V5 Se10\n1.0\n6.200443 0.000000 0.000000\n-1.976703 8.235163 0.000000\n-1.044090 -4.131102 8.024098\nNa V Se\n3 5 10\ndirect\n0.653984 0.490151 0.998456 Na\n0.424247 0.501203 0.597762 Na\n0.263185 0.504741 0.205218 Na\n0.970594 0.998943 0.985393 V\n0.806075 0.006821 0.611996 V\n0.636462 0.999673 0.202645 V\n0.434233 0.997801 0.790408 V\n0.169914 0.998658 0.409999 V\n0.971195 0.210211 0.110592 Se\n0.765423 0.224648 0.704996 Se\n0.837430 0.788610 0.494140 Se\n0.553485 0.186005 0.324393 Se\n0.644898 0.785876 0.087731 Se\n0.361129 0.180469 0.921596 Se\n0.445140 0.793531 0.680261 Se\n0.159605 0.206261 0.520418 Se\n0.244895 0.823038 0.272306 Se\n0.058146 0.803661 0.881570 Se\n",
"nsites": 18,
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"elements": [
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"density": 4.511917146591,
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"volume": 409.7237540708852,
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"formula_full": "Na3 V5 Se10",
"formula_reduced": "Na3(VSe2)5",
"formula_anonymous": "A3B5C10",
"energy": -29.52725065,
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"updated_at": "2021-11-28T01:38:05.167000Z",
"spacegroup": 1
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{
"id": "mp-1114125",
"created_at": "2022-09-04T14:46:36.218773Z",
"structure_string": "K1 Rb2 Au1 Br6\n1.0\n0.000000 5.792415 5.792415\n5.792415 0.000000 5.792415\n5.792415 5.792415 0.000000\nK Rb Au Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Au\n0.769949 0.230051 0.230051 Br\n0.230051 0.230051 0.769949 Br\n0.230051 0.769949 0.769949 Br\n0.230051 0.769949 0.230051 Br\n0.769949 0.230051 0.769949 Br\n0.769949 0.769949 0.230051 Br\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Au-Br-K-Rb",
"density": 3.7868824927720492,
"density_atomic": 0.025727109549064056,
"volume": 388.69504484866616,
"volume_molar": 23.407762727931804,
"formula_full": "K1 Rb2 Au1 Br6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:37:38.156000Z",
"spacegroup": 225
},
{
"id": "mp-13072",
"created_at": "2022-09-04T14:43:43.528883Z",
"structure_string": "Pr1 Ge3 Rh1\n1.0\n-2.219722 2.219722 5.093632\n2.219722 -2.219722 5.093632\n2.219722 2.219722 -5.093632\nPr Ge Rh\n1 3 1\ndirect\n0.002786 0.002786 0.000000 Pr\n0.739310 0.239310 0.500000 Ge\n0.239310 0.739310 0.500000 Ge\n0.579438 0.579438 0.000000 Ge\n0.342536 0.342536 0.000000 Rh\n",
"nsites": 5,
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"elements": [
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"Ge",
"Rh"
],
"chemical_system": "Ge-Pr-Rh",
"density": 7.6375738704554035,
"density_atomic": 0.04980641408211125,
"volume": 100.38867668242408,
"volume_molar": 12.09109483383375,
"formula_full": "Pr1 Ge3 Rh1",
"formula_reduced": "PrGe3Rh",
"formula_anonymous": "ABC3",
"energy": -29.530436,
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"updated_at": "2021-11-28T01:36:20.416000Z",
"spacegroup": 107
},
{
"id": "mp-866143",
"created_at": "2022-09-04T14:45:33.914898Z",
"structure_string": "Ti1 Be1 Rh2\n1.0\n0.000000 2.965150 2.965150\n2.965150 0.000000 2.965150\n2.965150 2.965150 0.000000\nTi Be Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
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"elements": [
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"Be",
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],
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"density": 8.366097827417509,
"density_atomic": 0.07671671375376991,
"volume": 52.13987675278175,
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"formula_full": "Ti1 Be1 Rh2",
"formula_reduced": "TiBeRh2",
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"updated_at": "2021-11-28T01:37:11.616000Z",
"spacegroup": 225
},
{
"id": "mp-973493",
"created_at": "2022-09-04T14:44:00.750292Z",
"structure_string": "Li2 Lu6\n1.0\n3.419662 -5.923029 0.000000\n3.419662 5.923029 0.000000\n0.000000 0.000000 5.413763\nLi Lu\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.832134 0.167866 0.750000 Lu\n0.335731 0.167866 0.750000 Lu\n0.832134 0.664269 0.750000 Lu\n0.167866 0.832134 0.250000 Lu\n0.664269 0.832134 0.250000 Lu\n0.167866 0.335731 0.250000 Lu\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Li-Lu",
"density": 8.053885431213295,
"density_atomic": 0.03647822605092556,
"volume": 219.30891016552096,
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"formula_full": "Li2 Lu6",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:36:19.377000Z",
"spacegroup": 194
},
{
"id": "mp-1080121",
"created_at": "2022-09-04T14:41:49.427379Z",
"structure_string": "K2 Se6\n1.0\n2.735766 5.858845 0.000000\n-2.735766 5.858845 0.000000\n0.000000 3.060502 7.773640\nK Se\n2 6\ndirect\n0.967095 0.827757 0.752082 K\n0.172243 0.032905 0.247918 K\n0.701691 0.570720 0.478615 Se\n0.429280 0.298309 0.521385 Se\n0.862479 0.813722 0.191152 Se\n0.186278 0.137521 0.808848 Se\n0.709254 0.490320 0.796479 Se\n0.509680 0.290746 0.203521 Se\n",
"nsites": 8,
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"elements": [
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"density": 3.6779739734584,
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"formula_full": "K2 Se6",
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"updated_at": "2021-11-28T01:35:30.675000Z",
"spacegroup": 5
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{
"id": "mp-755297",
"created_at": "2022-09-04T14:44:42.324872Z",
"structure_string": "Li2 Co1 O2\n1.0\n1.576510 -2.730596 0.000000\n1.576510 2.730596 0.000000\n0.000000 0.000000 5.124253\nLi Co O\n2 1 2\ndirect\n0.333333 0.666667 0.642531 Li\n0.666667 0.333333 0.357469 Li\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.237127 O\n0.666667 0.333333 0.762873 O\n",
"nsites": 5,
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"formula_full": "Li2 Co1 O2",
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{
"id": "mp-1101799",
"created_at": "2022-09-04T14:39:44.334748Z",
"structure_string": "Rb8 P4\n1.0\n5.490430 0.000000 0.000000\n0.000000 8.420260 0.000000\n0.000000 0.000000 10.610284\nRb P\n8 4\ndirect\n0.250000 0.839569 0.927567 Rb\n0.250000 0.339569 0.572433 Rb\n0.750000 0.160431 0.072433 Rb\n0.750000 0.660431 0.427567 Rb\n0.250000 0.981257 0.326204 Rb\n0.250000 0.481257 0.173796 Rb\n0.750000 0.018743 0.673796 Rb\n0.750000 0.518743 0.826204 Rb\n0.250000 0.248213 0.884852 P\n0.250000 0.748213 0.615148 P\n0.750000 0.751787 0.115148 P\n0.750000 0.251787 0.384852 P\n",
"nsites": 12,
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"elements": [
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"density": 2.734051406063614,
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"volume": 490.5224280270618,
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"formula_full": "Rb8 P4",
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{
"id": "mp-1028418",
"created_at": "2022-09-04T14:43:50.754232Z",
"structure_string": "Sr1 Mg14 Co1\n1.0\n6.538784 0.148702 0.000000\n-3.140612 5.439699 0.000000\n0.000000 0.000000 10.322856\nSr Mg Co\n1 14 1\ndirect\n0.131574 0.815787 0.125000 Sr\n0.160509 0.330254 0.625000 Mg\n0.170327 0.835163 0.625000 Mg\n0.623913 0.325174 0.125000 Mg\n0.662577 0.325577 0.625000 Mg\n0.623913 0.798739 0.125000 Mg\n0.662577 0.837000 0.625000 Mg\n0.341397 0.179701 0.377804 Mg\n0.341397 0.179701 0.872196 Mg\n0.341397 0.661697 0.377804 Mg\n0.341397 0.661697 0.872196 Mg\n0.866799 0.183400 0.344107 Mg\n0.866799 0.183400 0.905893 Mg\n0.828819 0.664410 0.393517 Mg\n0.828819 0.664410 0.856483 Mg\n0.207785 0.353892 0.125000 Co\n",
"nsites": 16,
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}
]
}