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"results": [
{
"id": "mp-1246497",
"created_at": "2022-09-04T14:46:28.311931Z",
"structure_string": "Li2 Ir1 N2\n1.0\n3.266835 0.000001 0.000004\n-1.633416 2.829161 0.000000\n-0.000007 -0.000004 5.019745\nLi Ir N\n2 1 2\ndirect\n0.666667 0.333333 0.356289 Li\n0.333333 0.666667 0.643711 Li\n0.000000 0.000000 0.000000 Ir\n0.666667 0.333333 0.796255 N\n0.333333 0.666667 0.203745 N\n",
"nsites": 5,
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"formula_full": "Li2 Ir1 N2",
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{
"id": "mp-1187388",
"created_at": "2022-09-04T14:44:29.095069Z",
"structure_string": "Tb1 Tm1 Ir2\n1.0\n0.000000 3.415196 3.415196\n3.415196 0.000000 3.415196\n3.415196 3.415196 0.000000\nTb Tm Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"chemical_system": "Ir-Tb-Tm",
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"volume": 79.6667123137589,
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"updated_at": "2021-11-28T01:36:32.671000Z",
"spacegroup": 225
},
{
"id": "mp-1080405",
"created_at": "2022-09-04T14:40:11.008303Z",
"structure_string": "Dy2 Sn2 Ge2\n1.0\n2.126930 -8.167739 0.000000\n2.126930 8.167739 0.000000\n0.000000 0.000000 4.117241\nDy Sn Ge\n2 2 2\ndirect\n0.905381 0.094619 0.750000 Dy\n0.094619 0.905381 0.250000 Dy\n0.250522 0.749478 0.750000 Sn\n0.749478 0.250522 0.250000 Sn\n0.553655 0.446345 0.750000 Ge\n0.446345 0.553655 0.250000 Ge\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Dy-Ge-Sn",
"density": 8.214988506370124,
"density_atomic": 0.04194304124140692,
"volume": 143.0511432269888,
"volume_molar": 14.35790200653079,
"formula_full": "Dy2 Sn2 Ge2",
"formula_reduced": "DySnGe",
"formula_anonymous": "ABC",
"energy": -30.24026573,
"energy_per_atom": -5.040044288333333,
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"energy_uncorrected": -30.24026573,
"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.935000Z",
"spacegroup": 63
},
{
"id": "mp-1026832",
"created_at": "2022-09-04T14:47:07.002870Z",
"structure_string": "K1 Mg14 Cr1\n1.0\n6.488462 -0.019809 0.000000\n-3.261386 5.648885 0.000000\n0.000000 0.000000 10.510894\nK Mg Cr\n1 14 1\ndirect\n0.166313 0.333156 0.125000 K\n0.167901 0.333950 0.625000 Mg\n0.166557 0.833278 0.625000 Mg\n0.664807 0.329846 0.125000 Mg\n0.666507 0.334149 0.625000 Mg\n0.664807 0.834961 0.125000 Mg\n0.666507 0.832357 0.625000 Mg\n0.335406 0.158413 0.382218 Mg\n0.335406 0.158413 0.867782 Mg\n0.335406 0.676994 0.382218 Mg\n0.335406 0.676994 0.867782 Mg\n0.825124 0.162563 0.387627 Mg\n0.825124 0.162563 0.862373 Mg\n0.837570 0.668785 0.368094 Mg\n0.837570 0.668785 0.881906 Mg\n0.169590 0.834795 0.125000 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Cr"
],
"chemical_system": "Cr-K-Mg",
"density": 1.862582065583625,
"density_atomic": 0.0416046623406935,
"volume": 384.5722834854114,
"volume_molar": 14.474677647148567,
"formula_full": "K1 Mg14 Cr1",
"formula_reduced": "KMg14Cr",
"formula_anonymous": "ABC14",
"energy": -30.2403827,
"energy_per_atom": -1.89002391875,
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"updated_at": "2021-11-28T01:37:53.653000Z",
"spacegroup": 38
},
{
"id": "mp-19988",
"created_at": "2022-09-04T14:39:45.293305Z",
"structure_string": "Sm1 Ga5 Co1\n1.0\n4.265861 0.000000 0.000000\n0.000000 4.265861 0.000000\n0.000000 0.000000 6.926900\nSm Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.313936 Ga\n0.500000 0.000000 0.313936 Ga\n0.000000 0.500000 0.686064 Ga\n0.500000 0.000000 0.686064 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Ga",
"Co"
],
"chemical_system": "Co-Ga-Sm",
"density": 7.349529202173005,
"density_atomic": 0.05553230773632591,
"volume": 126.05274812703342,
"volume_molar": 10.844391320083167,
"formula_full": "Sm1 Ga5 Co1",
"formula_reduced": "SmGa5Co",
"formula_anonymous": "ABC5",
"energy": -30.241087650000004,
"energy_per_atom": -4.320155378571429,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:40.967000Z",
"spacegroup": 123
},
{
"id": "mp-21883",
"created_at": "2022-09-04T14:42:45.469293Z",
"structure_string": "V1 Ga1 Fe2\n1.0\n0.000000 2.858437 2.858437\n2.858437 0.000000 2.858437\n2.858437 2.858437 0.000000\nV Ga Fe\n1 1 2\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-V",
"density": 8.260081173969906,
"density_atomic": 0.08563358408959253,
"volume": 46.71064562491131,
"volume_molar": 7.032452073592352,
"formula_full": "V1 Ga1 Fe2",
"formula_reduced": "VGaFe2",
"formula_anonymous": "ABC2",
"energy": -30.24572882,
"energy_per_atom": -7.561432205,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -30.24572882,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 5.05e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.941000Z",
"spacegroup": 225
},
{
"id": "mp-1185475",
"created_at": "2022-09-04T14:45:10.404462Z",
"structure_string": "Lu6 Mg2\n1.0\n3.432147 -5.944653 0.000000\n3.432147 5.944653 0.000000\n0.000000 0.000000 5.471317\nLu Mg\n6 2\ndirect\n0.168356 0.336713 0.250000 Lu\n0.168356 0.831644 0.250000 Lu\n0.663287 0.831644 0.250000 Lu\n0.336713 0.168356 0.750000 Lu\n0.831644 0.168356 0.750000 Lu\n0.831644 0.663287 0.750000 Lu\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"Mg"
],
"chemical_system": "Lu-Mg",
"density": 8.169587019345512,
"density_atomic": 0.03583238566116862,
"volume": 223.26171848137815,
"volume_molar": 16.80641868767941,
"formula_full": "Lu6 Mg2",
"formula_reduced": "Lu3Mg",
"formula_anonymous": "AB3",
"energy": -30.24578962,
"energy_per_atom": -3.7807237025,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:49.899000Z",
"spacegroup": 194
},
{
"id": "mp-1111155",
"created_at": "2022-09-04T14:47:19.021060Z",
"structure_string": "K2 Tl2 Br6\n1.0\n0.000000 5.872981 5.872981\n5.872981 0.000000 5.872981\n5.872981 5.872981 0.000000\nK Tl Br\n2 2 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.761491 0.238509 0.238509 Br\n0.238509 0.238509 0.761491 Br\n0.238509 0.761491 0.761491 Br\n0.238509 0.761491 0.238509 Br\n0.761491 0.238509 0.761491 Br\n0.761491 0.761491 0.238509 Br\n",
"nsites": 10,
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"elements": [
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"Tl",
"Br"
],
"chemical_system": "Br-K-Tl",
"density": 3.9609055204000154,
"density_atomic": 0.024682788212792017,
"volume": 405.140615144015,
"volume_molar": 24.39813811990246,
"formula_full": "K2 Tl2 Br6",
"formula_reduced": "KTlBr3",
"formula_anonymous": "ABC3",
"energy": -30.24775913,
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"updated_at": "2021-11-28T01:38:02.773000Z",
"spacegroup": 225
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{
"id": "mp-1207207",
"created_at": "2022-09-04T14:39:43.371165Z",
"structure_string": "Rb1 As2 Ir2\n1.0\n-2.030793 2.030793 7.040481\n2.030793 -2.030793 7.040481\n2.030793 2.030793 -7.040481\nRb As Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.349765 0.349765 0.000000 As\n0.650235 0.650235 0.000000 As\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n",
"nsites": 5,
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"chemical_system": "As-Ir-Rb",
"density": 8.86070935919304,
"density_atomic": 0.043050318286513095,
"volume": 116.14315988846967,
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"formula_full": "Rb1 As2 Ir2",
"formula_reduced": "Rb(AsIr)2",
"formula_anonymous": "AB2C2",
"energy": -30.24790822,
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{
"id": "mp-1225045",
"created_at": "2022-09-04T14:40:38.829347Z",
"structure_string": "Er2 Al3 Co1\n1.0\n4.558271 -2.720587 0.000000\n4.558271 2.720587 0.000000\n2.934499 0.000000 4.423589\nEr Al Co\n2 3 1\ndirect\n0.626809 0.626809 0.626809 Er\n0.373191 0.373191 0.373191 Er\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Co\n",
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"volume": 109.71538339221908,
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"formula_full": "Er2 Al3 Co1",
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{
"id": "mp-864947",
"created_at": "2022-09-04T14:45:10.435442Z",
"structure_string": "Zr1 Sn1 Rh2\n1.0\n0.000000 3.274962 3.274962\n3.274962 0.000000 3.274962\n3.274962 3.274962 0.000000\nZr Sn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
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"density": 9.827144480276537,
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"volume": 70.25039833587448,
"volume_molar": 10.576444680617646,
"formula_full": "Zr1 Sn1 Rh2",
"formula_reduced": "ZrSnRh2",
"formula_anonymous": "ABC2",
"energy": -30.24874037,
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"updated_at": "2021-11-28T01:36:58.537000Z",
"spacegroup": 225
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{
"id": "mp-1221702",
"created_at": "2022-09-04T14:43:21.978651Z",
"structure_string": "Mn1 Al1 Rh2\n1.0\n3.030145 0.000000 0.000000\n0.000000 3.030145 0.000000\n0.000000 0.000000 6.085951\nMn Al Rh\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.242072 Rh\n0.500000 0.500000 0.757928 Rh\n",
"nsites": 4,
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"density": 8.550270422093169,
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"volume": 55.879855389000824,
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"formula_full": "Mn1 Al1 Rh2",
"formula_reduced": "MnAlRh2",
"formula_anonymous": "ABC2",
"energy": -30.24941477,
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"updated_at": "2021-11-28T01:36:19.522000Z",
"spacegroup": 123
}
]
}