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"results": [
{
"id": "mp-1113963",
"created_at": "2022-09-04T14:42:13.460262Z",
"structure_string": "Rb2 Na1 Sc1 Cl6\n1.0\n0.000000 5.261122 5.261122\n5.261122 0.000000 5.261122\n5.261122 5.261122 0.000000\nRb Na Sc Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.762582 0.237418 0.237418 Cl\n0.237418 0.237418 0.762582 Cl\n0.237418 0.762582 0.762582 Cl\n0.237418 0.762582 0.237418 Cl\n0.762582 0.237418 0.762582 Cl\n0.762582 0.762582 0.237418 Cl\n",
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{
"id": "mp-1113948",
"created_at": "2022-09-04T14:46:16.272337Z",
"structure_string": "Rb2 Ta1 Cu1 Cl6\n1.0\n7.152971 -0.000000 -0.000000\n3.576486 6.194655 -0.000000\n3.576486 2.064885 5.840376\nRb Ta Cu Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cu\n0.253361 0.746639 0.253361 Cl\n0.746639 0.746639 0.253361 Cl\n0.746639 0.253361 0.746639 Cl\n0.746639 0.253361 0.253361 Cl\n0.253361 0.746639 0.746639 Cl\n0.253361 0.253361 0.746639 Cl\n",
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"formula_full": "Rb2 Ta1 Cu1 Cl6",
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},
{
"id": "mp-1113945",
"created_at": "2022-09-04T14:39:11.358156Z",
"structure_string": "Na2 Li1 Au1 Cl6\n1.0\n0.000000 4.989732 4.989732\n4.989732 0.000000 4.989732\n4.989732 4.989732 0.000000\nNa Li Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.749715 0.250285 0.250285 Cl\n0.250285 0.250285 0.749715 Cl\n0.250285 0.749715 0.749715 Cl\n0.250285 0.749715 0.250285 Cl\n0.749715 0.250285 0.749715 Cl\n0.749715 0.749715 0.250285 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 248.46296078957207,
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"formula_full": "Na2 Li1 Au1 Cl6",
"formula_reduced": "Na2LiAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -32.47010277,
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"updated_at": "2021-11-28T01:34:30.972000Z",
"spacegroup": 225
},
{
"id": "mp-1113939",
"created_at": "2022-09-04T14:39:23.080380Z",
"structure_string": "Rb2 Nb1 Hg1 F6\n1.0\n0.000000 4.967485 4.967485\n4.967485 0.000000 4.967485\n4.967485 4.967485 0.000000\nRb Nb Hg F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Hg\n0.797618 0.202382 0.202382 F\n0.202382 0.202382 0.797618 F\n0.202382 0.797618 0.797618 F\n0.202382 0.797618 0.202382 F\n0.797618 0.202382 0.797618 F\n0.797618 0.797618 0.202382 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "F-Hg-Nb-Rb",
"density": 3.9179105032697343,
"density_atomic": 0.040790620447200755,
"volume": 245.1543980053936,
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"formula_full": "Rb2 Nb1 Hg1 F6",
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"updated_at": "2021-11-28T01:34:43.528000Z",
"spacegroup": 225
},
{
"id": "mp-1113936",
"created_at": "2022-09-04T14:40:58.949963Z",
"structure_string": "Rb2 Hg1 Ru1 F6\n1.0\n0.000000 4.850435 4.850435\n4.850435 0.000000 4.850435\n4.850435 4.850435 0.000000\nRb Hg Ru F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ru\n0.797991 0.202009 0.202009 F\n0.202009 0.202009 0.797991 F\n0.202009 0.797991 0.797991 F\n0.202009 0.797991 0.202009 F\n0.797991 0.202009 0.797991 F\n0.797991 0.797991 0.202009 F\n",
"nsites": 10,
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"elements": [
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"Ru",
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],
"chemical_system": "F-Hg-Rb-Ru",
"density": 4.267846022996306,
"density_atomic": 0.04381551666782695,
"volume": 228.22964923161214,
"volume_molar": 13.744310732781942,
"formula_full": "Rb2 Hg1 Ru1 F6",
"formula_reduced": "Rb2HgRuF6",
"formula_anonymous": "ABC2D6",
"energy": -45.52158378,
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"updated_at": "2021-11-28T01:35:13.651000Z",
"spacegroup": 225
},
{
"id": "mp-1113935",
"created_at": "2022-09-04T14:45:59.302066Z",
"structure_string": "Rb2 Ti1 Hg1 F6\n1.0\n0.000000 4.852445 4.852445\n4.852445 0.000000 4.852445\n4.852445 4.852445 0.000000\nRb Ti Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Hg\n0.195100 0.195100 0.804900 F\n0.195100 0.804900 0.804900 F\n0.804900 0.804900 0.195100 F\n0.195100 0.804900 0.195100 F\n0.804900 0.195100 0.804900 F\n0.804900 0.195100 0.195100 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "F-Hg-Rb-Ti",
"density": 3.87593443918012,
"density_atomic": 0.043761090880526175,
"volume": 228.5134990647601,
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"formula_full": "Rb2 Ti1 Hg1 F6",
"formula_reduced": "Rb2TiHgF6",
"formula_anonymous": "ABC2D6",
"energy": -52.50968216,
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"updated_at": "2021-11-28T01:37:17.007000Z",
"spacegroup": 225
},
{
"id": "mp-1113934",
"created_at": "2022-09-04T14:47:55.191537Z",
"structure_string": "Rb2 Ta1 Hg1 F6\n1.0\n0.000000 4.972735 4.972735\n4.972735 0.000000 4.972735\n4.972735 4.972735 0.000000\nRb Ta Hg F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Hg\n0.799368 0.200632 0.200632 F\n0.200632 0.200632 0.799368 F\n0.200632 0.799368 0.799368 F\n0.200632 0.799368 0.200632 F\n0.799368 0.200632 0.799368 F\n0.799368 0.799368 0.200632 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "F-Hg-Rb-Ta",
"density": 4.499971708434035,
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"volume": 245.93251087022634,
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"formula_full": "Rb2 Ta1 Hg1 F6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:12.231000Z",
"spacegroup": 225
},
{
"id": "mp-1113933",
"created_at": "2022-09-04T14:43:37.231844Z",
"structure_string": "Rb2 In1 Bi1 F6\n1.0\n0.000000 4.875861 4.875861\n4.875861 0.000000 4.875861\n4.875861 4.875861 0.000000\nRb In Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.766252 0.233748 0.233748 F\n0.233748 0.233748 0.766252 F\n0.233748 0.766252 0.766252 F\n0.233748 0.766252 0.233748 F\n0.766252 0.233748 0.766252 F\n0.766252 0.766252 0.233748 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Bi-F-In-Rb",
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"formula_full": "Rb2 In1 Bi1 F6",
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},
{
"id": "mp-1113932",
"created_at": "2022-09-04T14:45:55.909882Z",
"structure_string": "Rb2 V1 Hg1 F6\n1.0\n6.790356 0.000000 0.000000\n3.395178 5.880621 0.000000\n3.395178 1.960207 5.544302\nRb V Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Hg\n0.194812 0.805188 0.194812 F\n0.805188 0.805188 0.194812 F\n0.805188 0.194812 0.805188 F\n0.805188 0.194812 0.194812 F\n0.194812 0.805188 0.805188 F\n0.194812 0.194812 0.805188 F\n",
"nsites": 10,
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"elements": [
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"volume": 221.39235126097284,
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"formula_full": "Rb2 V1 Hg1 F6",
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"updated_at": "2021-11-28T01:37:11.475000Z",
"spacegroup": 225
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{
"id": "mp-1113931",
"created_at": "2022-09-04T14:42:09.268361Z",
"structure_string": "Rb2 Y1 In1 F6\n1.0\n0.000000 4.818814 4.818814\n4.818814 0.000000 4.818814\n4.818814 4.818814 0.000000\nRb Y In F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 In\n0.772807 0.227193 0.227193 F\n0.227193 0.227193 0.772807 F\n0.227193 0.772807 0.772807 F\n0.227193 0.772807 0.227193 F\n0.772807 0.227193 0.772807 F\n0.772807 0.772807 0.227193 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.625737834093092,
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"volume": 223.79505491701983,
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"formula_full": "Rb2 Y1 In1 F6",
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"formula_anonymous": "ABC2D6",
"energy": -55.60720916999999,
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"updated_at": "2021-11-28T01:35:43.632000Z",
"spacegroup": 225
},
{
"id": "mp-1113930",
"created_at": "2022-09-04T14:47:34.472369Z",
"structure_string": "Rb2 In1 Sb1 F6\n1.0\n0.000000 4.818139 4.818139\n4.818139 0.000000 4.818139\n4.818139 4.818139 0.000000\nRb In Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.770867 0.229133 0.229133 F\n0.229133 0.229133 0.770867 F\n0.229133 0.770867 0.770867 F\n0.229133 0.770867 0.229133 F\n0.770867 0.229133 0.770867 F\n0.770867 0.770867 0.229133 F\n",
"nsites": 10,
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],
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"formula_full": "Rb2 In1 Sb1 F6",
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"energy": -46.49187892,
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},
{
"id": "mp-1113929",
"created_at": "2022-09-04T14:45:10.102143Z",
"structure_string": "Rb2 Na1 Al1 Cl6\n1.0\n0.000000 5.138222 5.138222\n5.138222 0.000000 5.138222\n5.138222 5.138222 0.000000\nRb Na Al Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n0.771186 0.228814 0.228814 Cl\n0.228814 0.228814 0.771186 Cl\n0.228814 0.771186 0.771186 Cl\n0.228814 0.771186 0.228814 Cl\n0.771186 0.228814 0.771186 Cl\n0.771186 0.771186 0.228814 Cl\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Al-Cl-Na-Rb",
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"volume": 271.311741189957,
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"formula_full": "Rb2 Na1 Al1 Cl6",
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]
}