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{
"id": "mp-1185008",
"created_at": "2022-09-04T14:45:30.373314Z",
"structure_string": "K1 Ac1 O3\n1.0\n4.654080 0.000000 0.000000\n0.000000 4.654080 0.000000\n0.000000 0.000000 4.654080\nK Ac O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.499999 0.499999 Ac\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
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{
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"spacegroup": 225
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{
"id": "mp-1184792",
"created_at": "2022-09-04T14:45:27.351699Z",
"structure_string": "K6 Ac2\n1.0\n4.434988 -7.681624 0.000000\n4.434988 7.681624 0.000000\n0.000000 0.000000 7.327738\nK Ac\n6 2\ndirect\n0.168341 0.336683 0.250000 K\n0.663317 0.831659 0.250000 K\n0.168341 0.831659 0.250000 K\n0.831659 0.663317 0.750000 K\n0.336683 0.168341 0.750000 K\n0.831659 0.168341 0.750000 K\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
"nsites": 8,
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"elements": [
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"density": 2.29015174493554,
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"volume": 499.2814411930874,
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"formula_full": "K6 Ac2",
"formula_reduced": "K3Ac",
"formula_anonymous": "AB3",
"energy": -11.42144375,
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"updated_at": "2021-11-28T01:36:55.501000Z",
"spacegroup": 194
},
{
"id": "mp-1185032",
"created_at": "2022-09-04T14:48:18.372789Z",
"structure_string": "K1 Ac3\n1.0\n5.743600 0.000000 0.000000\n0.000000 5.743600 0.000000\n0.000000 0.000000 5.743600\nK Ac\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Ac\n0.000000 0.500000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Ac-K",
"density": 6.310856755306885,
"density_atomic": 0.021110933165535098,
"volume": 189.475281297856,
"volume_molar": 28.526170362907106,
"formula_full": "K1 Ac3",
"formula_reduced": "KAc3",
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"updated_at": "2021-11-28T01:39:03.017000Z",
"spacegroup": 221
},
{
"id": "mp-865398",
"created_at": "2022-09-04T14:41:00.434620Z",
"structure_string": "Ac2 Zn1 Ir1\n1.0\n0.000000 3.794774 3.794774\n3.794774 0.000000 3.794774\n3.794774 3.794774 0.000000\nAc Zn Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"density": 10.812177329088218,
"density_atomic": 0.03659925512578324,
"volume": 109.29184176707743,
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"formula_full": "Ac2 Zn1 Ir1",
"formula_reduced": "Ac2ZnIr",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:11.403000Z",
"spacegroup": 225
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{
"id": "mp-1183093",
"created_at": "2022-09-04T14:41:34.573510Z",
"structure_string": "Ac2 Ir1 Rh1\n1.0\n0.000000 3.718607 3.718607\n3.718607 0.000000 3.718607\n3.718607 3.718607 0.000000\nAc Ir Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Rh"
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"chemical_system": "Ac-Ir-Rh",
"density": 12.095702475250162,
"density_atomic": 0.03889458555694671,
"volume": 102.84207795821558,
"volume_molar": 15.483236737881693,
"formula_full": "Ac2 Ir1 Rh1",
"formula_reduced": "Ac2IrRh",
"formula_anonymous": "ABC2",
"energy": -26.43812791,
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"total_magnetization": 3.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.624000Z",
"spacegroup": 225
},
{
"id": "mp-866107",
"created_at": "2022-09-04T14:39:31.573241Z",
"structure_string": "Ac2 Ir1 Pd1\n1.0\n0.000000 3.757416 3.757416\n3.757416 0.000000 3.757416\n3.757416 3.757416 0.000000\nAc Ir Pd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Ir",
"Pd"
],
"chemical_system": "Ac-Ir-Pd",
"density": 11.779770390249887,
"density_atomic": 0.037701806015425825,
"volume": 106.09571324947633,
"volume_molar": 15.97308298052359,
"formula_full": "Ac2 Ir1 Pd1",
"formula_reduced": "Ac2IrPd",
"formula_anonymous": "ABC2",
"energy": -24.774038,
"energy_per_atom": -6.1935095,
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"updated_at": "2021-11-28T01:34:43.813000Z",
"spacegroup": 225
},
{
"id": "mp-862849",
"created_at": "2022-09-04T14:47:26.732344Z",
"structure_string": "Ac2 Ni1 Ir1\n1.0\n0.000000 3.695910 3.695910\n3.695910 0.000000 3.695910\n3.695910 3.695910 0.000000\nAc Ni Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ac-Ir-Ni",
"density": 11.592813752480673,
"density_atomic": 0.039615563195565556,
"volume": 100.97041862698414,
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"formula_full": "Ac2 Ni1 Ir1",
"formula_reduced": "Ac2NiIr",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:10.339000Z",
"spacegroup": 225
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{
"id": "mp-862685",
"created_at": "2022-09-04T14:46:08.896166Z",
"structure_string": "Li1 Ac2 Ir1\n1.0\n0.000000 3.797046 3.797046\n3.797046 0.000000 3.797046\n3.797046 3.797046 0.000000\nLi Ac Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"density": 9.90603314576006,
"density_atomic": 0.03653359585129991,
"volume": 109.4882643438909,
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"formula_full": "Li1 Ac2 Ir1",
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"updated_at": "2021-11-28T01:37:23.807000Z",
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{
"id": "mp-1183106",
"created_at": "2022-09-04T14:41:59.161311Z",
"structure_string": "Ac2 Zn1 In1\n1.0\n0.000000 4.031097 4.031097\n4.031097 0.000000 4.031097\n4.031097 4.031097 0.000000\nAc Zn In\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
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{
"id": "mp-1183190",
"created_at": "2022-09-04T14:41:17.735087Z",
"structure_string": "Ac1 Zn2 In1\n1.0\n0.000000 3.663496 3.663496\n3.663496 0.000000 3.663496\n3.663496 3.663496 0.000000\nAc Zn In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.500000 0.500000 In\n",
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{
"id": "mp-1183073",
"created_at": "2022-09-04T14:43:23.614358Z",
"structure_string": "Ac2 Tl1 In1\n1.0\n0.000000 4.136998 4.136998\n4.136998 0.000000 4.136998\n4.136998 4.136998 0.000000\nAc Tl In\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n",
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]
}