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{
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"results": [
{
"id": "mp-1232055",
"created_at": "2022-09-04T14:44:24.794862Z",
"structure_string": "Nd4 Mg2 Se8\n1.0\n0.000000 6.003146 6.003146\n6.003146 0.000000 6.003146\n6.003146 6.003146 0.000000\nNd Mg Se\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Nd\n0.125000 0.125000 0.625000 Nd\n0.625000 0.125000 0.125000 Nd\n0.125000 0.125000 0.125000 Nd\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.877745 0.877745 0.877745 Se\n0.366765 0.877745 0.877745 Se\n0.877745 0.366765 0.877745 Se\n0.877745 0.877745 0.366765 Se\n0.372255 0.372255 0.883235 Se\n0.372255 0.883235 0.372255 Se\n0.883235 0.372255 0.372255 Se\n0.372255 0.372255 0.372255 Se\n",
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"volume": 432.67989236564995,
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"formula_full": "Nd4 Mg2 Se8",
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"spacegroup": 227
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{
"id": "mp-1205494",
"created_at": "2022-09-04T14:44:13.443137Z",
"structure_string": "Nd4 Mg2 Si4\n1.0\n7.397887 0.000000 0.000000\n0.000000 7.397887 0.000000\n0.000000 0.000000 4.348438\nNd Mg Si\n4 2 4\ndirect\n0.680722 0.180722 0.500000 Nd\n0.319278 0.819278 0.500000 Nd\n0.180722 0.319278 0.500000 Nd\n0.819278 0.680722 0.500000 Nd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.114683 0.614683 0.000000 Si\n0.885317 0.385317 0.000000 Si\n0.614683 0.885317 0.000000 Si\n0.385317 0.114683 0.000000 Si\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Mg-Nd-Si",
"density": 5.148843715795584,
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"volume": 237.98449820225997,
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"formula_full": "Nd4 Mg2 Si4",
"formula_reduced": "Nd2MgSi2",
"formula_anonymous": "AB2C2",
"energy": -50.44883921,
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"energy_above_hull": null,
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"energy_uncorrected": -50.73283921,
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"updated_at": "2021-11-28T01:36:33.953000Z",
"spacegroup": 127
},
{
"id": "mp-568049",
"created_at": "2022-09-04T14:42:49.933966Z",
"structure_string": "Nd4 Mg4 Si8\n1.0\n-2.130340 2.130340 18.410902\n2.130340 -2.130340 18.410902\n2.130340 2.130340 -18.410902\nNd Mg Si\n4 4 8\ndirect\n0.827741 0.327741 0.500000 Nd\n0.672259 0.172259 0.500000 Nd\n0.077741 0.077741 0.000000 Nd\n0.922259 0.922259 0.000000 Nd\n0.249997 0.249997 0.000000 Mg\n0.999997 0.499997 0.500000 Mg\n0.500003 0.000003 0.500000 Mg\n0.750003 0.750003 0.000000 Mg\n0.202106 0.702106 0.500000 Si\n0.389170 0.389170 0.000000 Si\n0.297894 0.797894 0.500000 Si\n0.547894 0.547894 0.000000 Si\n0.610830 0.610830 0.000000 Si\n0.452106 0.452106 0.000000 Si\n0.139170 0.639170 0.500000 Si\n0.360830 0.860830 0.500000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Si"
],
"chemical_system": "Mg-Nd-Si",
"density": 4.465951972867572,
"density_atomic": 0.04787260729857406,
"volume": 334.22035905022824,
"volume_molar": 12.579512794113839,
"formula_full": "Nd4 Mg4 Si8",
"formula_reduced": "NdMgSi2",
"formula_anonymous": "ABC2",
"energy": -76.65827366,
"energy_per_atom": -4.79114210375,
"energy_above_hull": null,
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"energy_uncorrected": -77.22627366,
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"updated_at": "2021-11-28T01:35:55.681000Z",
"spacegroup": 141
},
{
"id": "mp-1186328",
"created_at": "2022-09-04T14:48:01.593621Z",
"structure_string": "Nd1 Sm1 Mg2\n1.0\n0.000000 3.867099 3.867099\n3.867099 0.000000 3.867099\n3.867099 3.867099 0.000000\nNd Sm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sm\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
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"elements": [
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"Sm",
"Mg"
],
"chemical_system": "Mg-Nd-Sm",
"density": 4.927489353578589,
"density_atomic": 0.03458391255656141,
"volume": 115.66071344467075,
"volume_molar": 17.41312741914579,
"formula_full": "Nd1 Sm1 Mg2",
"formula_reduced": "NdSmMg2",
"formula_anonymous": "ABC2",
"energy": -13.07757709,
"energy_per_atom": -3.2693942725,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.836000Z",
"spacegroup": 225
},
{
"id": "mp-1077034",
"created_at": "2022-09-04T14:44:12.864345Z",
"structure_string": "Nd2 Mg2 Sn2\n1.0\n-2.258361 2.258361 8.112401\n2.258361 -2.258361 8.112401\n2.258361 2.258361 -8.112401\nNd Mg Sn\n2 2 2\ndirect\n0.664355 0.664355 0.000000 Nd\n0.335645 0.335645 0.000000 Nd\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.866879 0.866879 0.000000 Sn\n0.133121 0.133121 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Sn"
],
"chemical_system": "Mg-Nd-Sn",
"density": 5.764392996362888,
"density_atomic": 0.03625393222659698,
"volume": 165.49928880813152,
"volume_molar": 16.611000214707676,
"formula_full": "Nd2 Mg2 Sn2",
"formula_reduced": "NdMgSn",
"formula_anonymous": "ABC",
"energy": -24.36869771,
"energy_per_atom": -4.0614496183333335,
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"energy_uncorrected": -24.36869771,
"band_gap": 0.0,
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"total_magnetization": 0.0009541,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.015000Z",
"spacegroup": 139
},
{
"id": "mp-864602",
"created_at": "2022-09-04T14:46:38.608090Z",
"structure_string": "Nd2 Mg1 Tl1\n1.0\n0.000000 3.895635 3.895635\n3.895635 0.000000 3.895635\n3.895635 3.895635 0.000000\nNd Mg Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Tl"
],
"chemical_system": "Mg-Nd-Tl",
"density": 7.263059139579559,
"density_atomic": 0.033829471920184366,
"volume": 118.24009577913034,
"volume_molar": 17.80146250644512,
"formula_full": "Nd2 Mg1 Tl1",
"formula_reduced": "Nd2MgTl",
"formula_anonymous": "ABC2",
"energy": -14.53788105,
"energy_per_atom": -3.6344702625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -14.53788105,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:44.396000Z",
"spacegroup": 225
},
{
"id": "mp-975184",
"created_at": "2022-09-04T14:41:04.275396Z",
"structure_string": "Nd1 Mg1 Tl2\n1.0\n0.000000 3.796977 3.796977\n3.796977 0.000000 3.796977\n3.796977 3.796977 0.000000\nNd Mg Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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"elements": [
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"Mg",
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],
"chemical_system": "Mg-Nd-Tl",
"density": 8.756226578669818,
"density_atomic": 0.03653558759151051,
"volume": 109.48229558320965,
"volume_molar": 16.48294486825037,
"formula_full": "Nd1 Mg1 Tl2",
"formula_reduced": "NdMgTl2",
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"energy": -12.09696963,
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"band_gap": 0.0,
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"total_magnetization": 0.0024142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.626000Z",
"spacegroup": 225
},
{
"id": "mp-1206643",
"created_at": "2022-09-04T14:42:25.771177Z",
"structure_string": "Nd3 Mg3 Tl3\n1.0\n3.887513 -6.733370 0.000000\n3.887513 6.733370 0.000000\n0.000000 0.000000 4.748725\nNd Mg Tl\n3 3 3\ndirect\n0.574595 0.000000 0.000000 Nd\n0.000000 0.574595 0.000000 Nd\n0.425405 0.425405 0.000000 Nd\n0.242235 0.000000 0.500000 Mg\n0.000000 0.242235 0.500000 Mg\n0.757765 0.757765 0.500000 Mg\n0.333333 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Mg",
"Tl"
],
"chemical_system": "Mg-Nd-Tl",
"density": 7.472857019392092,
"density_atomic": 0.03620188292478662,
"volume": 248.60585342200258,
"volume_molar": 16.634882700746967,
"formula_full": "Nd3 Mg3 Tl3",
"formula_reduced": "NdMgTl",
"formula_anonymous": "ABC",
"energy": -29.38834279,
"energy_per_atom": -3.265371421111111,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:48.665000Z",
"spacegroup": 189
},
{
"id": "mp-976008",
"created_at": "2022-09-04T14:44:48.558922Z",
"structure_string": "Nd1 Tm1 Mg2\n1.0\n0.000000 3.817717 3.817717\n3.817717 0.000000 3.817717\n3.817717 3.817717 0.000000\nNd Tm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Nd-Tm",
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"volume": 111.28616874208149,
"volume_molar": 16.75452432014817,
"formula_full": "Nd1 Tm1 Mg2",
"formula_reduced": "NdTmMg2",
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"energy": -12.78845889,
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"updated_at": "2021-11-28T01:36:44.837000Z",
"spacegroup": 225
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{
"id": "mp-1186335",
"created_at": "2022-09-04T14:48:15.954595Z",
"structure_string": "Nd1 Y1 Mg2\n1.0\n0.000000 3.845435 3.845435\n3.845435 0.000000 3.845435\n3.845435 3.845435 0.000000\nNd Y Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"density": 4.113947091800651,
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"volume": 113.72774292083538,
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"formula_full": "Nd1 Y1 Mg2",
"formula_reduced": "NdYMg2",
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"energy": -14.88157494,
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"energy_above_hull": null,
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"spacegroup": 225
},
{
"id": "mp-1187617",
"created_at": "2022-09-04T14:48:22.088680Z",
"structure_string": "Yb1 Nd1 Mg2\n1.0\n0.000000 3.914651 3.914651\n3.914651 0.000000 3.914651\n3.914651 3.914651 0.000000\nYb Nd Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.063990315603467,
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"volume": 119.98007940187048,
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"formula_full": "Yb1 Nd1 Mg2",
"formula_reduced": "YbNdMg2",
"formula_anonymous": "ABC2",
"energy": -9.84124265,
"energy_per_atom": -2.4603106625,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:12.456000Z",
"spacegroup": 225
},
{
"id": "mp-864925",
"created_at": "2022-09-04T14:40:32.699302Z",
"structure_string": "Nd1 Mg1 Zn2\n1.0\n0.000000 3.501418 3.501418\n3.501418 0.000000 3.501418\n3.501418 3.501418 0.000000\nNd Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
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"volume": 85.85426523090644,
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"formula_full": "Nd1 Mg1 Zn2",
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"energy": -10.27255444,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:59.630000Z",
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}
]
}