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{
"id": "mp-1185049",
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"structure_string": "K1 Pm1\n1.0\n3.710060 -0.000339 0.000000\n-1.855322 3.212823 0.000001\n0.000000 0.000002 7.238882\nK Pm\n1 1\ndirect\n0.666671 0.333332 0.750001 K\n0.333330 0.666668 0.250000 Pm\n",
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{
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"created_at": "2022-09-04T14:42:51.011286Z",
"structure_string": "Na1 H1\n1.0\n2.955124 0.000000 0.000000\n0.000000 2.955124 0.000000\n0.000000 0.000000 2.955124\nNa H\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 H\n",
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"elements": [
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"formula_full": "Na1 H1",
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"updated_at": "2021-11-28T01:35:52.165000Z",
"spacegroup": 221
},
{
"id": "mp-1186839",
"created_at": "2022-09-04T14:48:09.648597Z",
"structure_string": "Rb3 Er1\n1.0\n6.432978 0.000000 0.000000\n0.000000 6.432978 0.000000\n0.000000 0.000000 6.432978\nRb Er\n3 1\ndirect\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Er\n",
"nsites": 4,
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"elements": [
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"density": 2.6426084604560245,
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"formula_full": "Rb3 Er1",
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{
"id": "mp-1096362",
"created_at": "2022-09-04T14:44:15.486089Z",
"structure_string": "Sr2 Hg1 Bi1\n1.0\n-6.507911 6.826426 9.615261\n6.507911 -6.826426 9.615261\n6.507911 6.826426 -9.615261\nSr Hg Bi\n2 1 1\ndirect\n0.000000 0.269462 0.269462 Sr\n0.000000 0.730538 0.730538 Sr\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"density": 0.5683398709065209,
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"volume": 1708.6616045519295,
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"formula_full": "Sr2 Hg1 Bi1",
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"updated_at": "2021-11-28T01:36:30.115000Z",
"spacegroup": 71
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{
"id": "mp-974962",
"created_at": "2022-09-04T14:43:48.150262Z",
"structure_string": "Rb3 Ho1\n1.0\n0.000000 5.117385 5.117385\n5.117385 0.000000 5.117385\n5.117385 5.117385 0.000000\nRb Ho\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 4,
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"elements": [
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"density": 2.6103638365484247,
"density_atomic": 0.014924016491194424,
"volume": 268.02436209850805,
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"formula_full": "Rb3 Ho1",
"formula_reduced": "Rb3Ho",
"formula_anonymous": "AB3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:12.029000Z",
"spacegroup": 225
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{
"id": "mp-1186188",
"created_at": "2022-09-04T14:43:17.361753Z",
"structure_string": "Na1 Tl1 Hg2\n1.0\n0.000000 3.798925 3.798925\n3.798925 0.000000 3.798925\n3.798925 3.798925 0.000000\nNa Tl Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 9.518727506151427,
"density_atomic": 0.03647941261895372,
"volume": 109.65088834576542,
"volume_molar": 16.508327101931073,
"formula_full": "Na1 Tl1 Hg2",
"formula_reduced": "NaTlHg2",
"formula_anonymous": "ABC2",
"energy": -4.964833,
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"updated_at": "2021-11-28T01:36:01.402000Z",
"spacegroup": 225
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{
"id": "mp-1684",
"created_at": "2022-09-04T14:46:24.050613Z",
"structure_string": "Zn1 Au1\n1.0\n3.194297 0.000000 0.000000\n0.000000 3.194297 0.000000\n0.000000 0.000000 3.194297\nZn Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
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"elements": [
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"Au"
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"density": 13.367389726023035,
"density_atomic": 0.06136265114813929,
"volume": 32.59311588692084,
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"formula_full": "Zn1 Au1",
"formula_reduced": "ZnAu",
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"energy": -4.96506019,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:35.146000Z",
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{
"id": "mp-1212244",
"created_at": "2022-09-04T14:40:29.349525Z",
"structure_string": "In3 Hg1\n1.0\n2.903808 -5.107257 0.000000\n2.903808 5.107257 0.000000\n0.000000 0.000000 21.434437\nIn Hg\n3 1\ndirect\n0.000000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 1.4235835943750272,
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"volume": 635.7665672687575,
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"formula_full": "In3 Hg1",
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"updated_at": "2021-11-28T01:35:05.395000Z",
"spacegroup": 65
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{
"id": "mp-974966",
"created_at": "2022-09-04T14:47:56.094755Z",
"structure_string": "Rb3 Lu1\n1.0\n-3.178439 3.178439 6.554356\n3.178439 -3.178439 6.554356\n3.178439 3.178439 -6.554356\nRb Lu\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 4,
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"formula_full": "Rb3 Lu1",
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{
"id": "mp-1185047",
"created_at": "2022-09-04T14:41:17.753634Z",
"structure_string": "K1 Mg3\n1.0\n-2.651040 2.651040 4.248746\n2.651040 -2.651040 4.248746\n2.651040 2.651040 -4.248746\nK Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n",
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"elements": [
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"volume": 119.4409698735827,
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{
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"created_at": "2022-09-04T14:43:09.420048Z",
"structure_string": "Mg2 Hg1 Pd1\n1.0\n-5.532269 5.867259 8.284739\n5.532269 -5.867259 8.284739\n5.532269 5.867259 -8.284739\nMg Hg Pd\n2 1 1\ndirect\n0.000000 0.224650 0.224650 Mg\n0.000000 0.775350 0.775350 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 1075.6658259111327,
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"updated_at": "2021-11-28T01:36:10.158000Z",
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]
}