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{
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"results": [
{
"id": "mp-1093569",
"created_at": "2022-09-04T14:46:34.559847Z",
"structure_string": "Li2 Zn1 Pd1\n1.0\n-4.905398 5.108005 6.847493\n4.905398 -5.108005 6.847493\n4.905398 5.108005 -6.847493\nLi Zn Pd\n2 1 1\ndirect\n0.726792 0.000000 0.726792 Li\n0.273208 0.000000 0.273208 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Pd\n",
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{
"id": "mp-1097548",
"created_at": "2022-09-04T14:43:55.463269Z",
"structure_string": "Mg1 Ti1 Ni2\n1.0\n-4.700089 5.149646 7.232165\n4.700089 -5.149646 7.232165\n4.700089 5.149646 -7.232165\nMg Ti Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.279974 0.279974 Ni\n0.000000 0.720026 0.720026 Ni\n",
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"formula_full": "Mg1 Ti1 Ni2",
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"spacegroup": 71
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{
"id": "mp-1093561",
"created_at": "2022-09-04T14:43:19.441116Z",
"structure_string": "Sr2 Ag1 Pd1\n1.0\n-5.892089 6.570137 9.287768\n5.892089 -6.570137 9.287768\n5.892089 6.570137 -9.287768\nSr Ag Pd\n2 1 1\ndirect\n0.000000 0.231163 0.231163 Sr\n0.000000 0.768837 0.768837 Sr\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"density": 0.44975181826831545,
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"volume": 1438.1860558849162,
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"formula_full": "Sr2 Ag1 Pd1",
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"updated_at": "2021-11-28T01:36:06.459000Z",
"spacegroup": 71
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{
"id": "mp-1097582",
"created_at": "2022-09-04T14:41:46.426833Z",
"structure_string": "Y2 Mg1 Pb1\n1.0\n-6.300491 6.581998 9.107756\n6.300491 -6.581998 9.107756\n6.300491 6.581998 -9.107756\nY Mg Pb\n2 1 1\ndirect\n0.000000 0.274811 0.274811 Y\n0.000000 0.725189 0.725189 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.4498886549604761,
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"volume": 1510.7879771307066,
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"formula_full": "Y2 Mg1 Pb1",
"formula_reduced": "Y2MgPb",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.272000Z",
"spacegroup": 71
},
{
"id": "mp-1120742",
"created_at": "2022-09-04T14:45:32.908710Z",
"structure_string": "S6 N4\n1.0\n4.297634 0.000000 0.000000\n0.000000 8.736303 0.000000\n0.000000 0.000000 24.419804\nS N\n6 4\ndirect\n0.061042 0.272697 0.457966 S\n0.561042 0.227303 0.542034 S\n0.561042 0.772697 0.542034 S\n0.061042 0.727303 0.457966 S\n0.133372 0.500000 0.544376 S\n0.633372 0.000000 0.455624 S\n0.267377 0.342708 0.509694 N\n0.767377 0.157292 0.490306 N\n0.767377 0.842708 0.490306 N\n0.267377 0.657292 0.509694 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
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],
"chemical_system": "N-S",
"density": 0.4499153097763054,
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"volume": 916.8521102446007,
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"formula_full": "S6 N4",
"formula_reduced": "S3N2",
"formula_anonymous": "A2B3",
"energy": -53.714934250000006,
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"energy_above_hull": null,
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"energy_uncorrected": -52.27093425,
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"updated_at": "2021-11-28T01:37:00.068000Z",
"spacegroup": 31
},
{
"id": "mp-1096005",
"created_at": "2022-09-04T14:43:24.174576Z",
"structure_string": "Ti2 Mn1 Zn1\n1.0\n-4.992235 5.546555 7.198801\n4.992235 -5.546555 7.198801\n4.992235 5.546555 -7.198801\nTi Mn Zn\n2 1 1\ndirect\n0.744405 0.000000 0.744405 Ti\n0.255595 0.000000 0.255595 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Mn",
"Zn"
],
"chemical_system": "Mn-Ti-Zn",
"density": 0.45001528466385476,
"density_atomic": 0.00501673876916643,
"volume": 797.3307329822619,
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"formula_full": "Ti2 Mn1 Zn1",
"formula_reduced": "Ti2MnZn",
"formula_anonymous": "ABC2",
"energy": -13.83033247,
"energy_per_atom": -3.4575831175,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.83033247,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.833000Z",
"spacegroup": 71
},
{
"id": "mp-1097623",
"created_at": "2022-09-04T14:46:10.538743Z",
"structure_string": "Ca2 Pd1 Rh1\n1.0\n-5.069669 5.964680 8.814820\n5.069669 -5.964680 8.814820\n5.069669 5.964680 -8.814820\nCa Pd Rh\n2 1 1\ndirect\n0.000000 0.242174 0.242174 Ca\n0.000000 0.757826 0.757826 Ca\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Rh"
],
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"density": 0.45084755412499056,
"density_atomic": 0.003751628250068734,
"volume": 1066.2037209914697,
"volume_molar": 160.5207221661599,
"formula_full": "Ca2 Pd1 Rh1",
"formula_reduced": "Ca2PdRh",
"formula_anonymous": "ABC2",
"energy": -11.3785208,
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"updated_at": "2021-11-28T01:37:21.761000Z",
"spacegroup": 71
},
{
"id": "mp-1093694",
"created_at": "2022-09-04T14:46:35.391886Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n-6.844492 6.943532 9.799033\n6.844492 -6.943532 9.799033\n6.844492 6.943532 -9.799033\nBa Cd Sn\n2 1 1\ndirect\n0.000000 0.268768 0.268768 Ba\n0.000000 0.731232 0.731232 Ba\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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],
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"density": 0.4508598716962968,
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"volume": 1862.7941831455594,
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"formula_full": "Ba2 Cd1 Sn1",
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"formula_anonymous": "ABC2",
"energy": -4.7899108,
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"energy_uncorrected": -4.7899108,
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"updated_at": "2021-11-28T01:37:43.599000Z",
"spacegroup": 71
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{
"id": "mp-1095937",
"created_at": "2022-09-04T14:43:58.437925Z",
"structure_string": "Rb2 Hg1 Se1\n1.0\n-6.548602 6.901167 9.152045\n6.548602 -6.901167 9.152045\n6.548602 6.901167 -9.152045\nRb Hg Se\n2 1 1\ndirect\n0.214174 0.000000 0.214174 Rb\n0.785826 0.000000 0.785826 Rb\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"volume": 1654.433332985776,
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"formula_full": "Rb2 Hg1 Se1",
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"updated_at": "2021-11-28T01:36:08.485000Z",
"spacegroup": 71
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{
"id": "mp-1210439",
"created_at": "2022-09-04T14:48:24.084190Z",
"structure_string": "Sm2 Ga12\n1.0\n17.851547 0.000000 0.000000\n0.000000 17.851547 0.000000\n0.000000 0.000000 13.106840\nSm Ga\n2 12\ndirect\n0.000000 0.500000 0.000000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.892156 0.402774 Ga\n0.000000 0.107844 0.402774 Ga\n0.892156 0.000000 0.402774 Ga\n0.107844 0.000000 0.597226 Ga\n0.000000 0.107844 0.597226 Ga\n0.107844 0.000000 0.402774 Ga\n0.892156 0.000000 0.597226 Ga\n0.000000 0.892156 0.597226 Ga\n0.500000 0.000000 0.218800 Ga\n0.000000 0.500000 0.218800 Ga\n0.000000 0.500000 0.781200 Ga\n0.500000 0.000000 0.781200 Ga\n",
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"volume": 4176.858022516243,
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"formula_full": "Sm2 Ga12",
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{
"id": "mp-1096207",
"created_at": "2022-09-04T14:40:00.900954Z",
"structure_string": "Al1 Fe2 Ge1\n1.0\n-4.697955 5.394012 7.644734\n4.697955 -5.394012 7.644734\n4.697955 5.394012 -7.644734\nAl Fe Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.254994 0.254994 Fe\n0.000000 0.745006 0.745006 Fe\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
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"volume": 774.89548559968,
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"formula_full": "Al1 Fe2 Ge1",
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{
"id": "mp-1096024",
"created_at": "2022-09-04T14:41:59.345155Z",
"structure_string": "La1 Mg1 In2\n1.0\n-5.908677 6.546388 9.290393\n5.908677 -6.546388 9.290393\n5.908677 6.546388 -9.290393\nLa Mg In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.247562 0.247562 In\n0.000000 0.752438 0.752438 In\n",
"nsites": 4,
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"volume": 1437.427896208152,
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"formula_full": "La1 Mg1 In2",
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"energy": -5.96633085,
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"updated_at": "2021-11-28T01:35:36.354000Z",
"spacegroup": 71
}
]
}