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{
"id": "mp-730208",
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"structure_string": "Rb2 Pd1\n1.0\n2.896128 4.969618 0.000000\n-2.896128 4.969618 0.000000\n0.000000 3.250255 4.883198\nRb Pd\n2 1\ndirect\n0.249424 0.249424 0.255405 Rb\n0.750576 0.750576 0.744595 Rb\n0.000000 0.000000 0.000000 Pd\n",
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{
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{
"id": "mp-1096107",
"created_at": "2022-09-04T14:41:12.900231Z",
"structure_string": "Li1 Mg1 Sn2\n1.0\n-5.522360 5.817565 8.280165\n5.522360 -5.817565 8.280165\n5.522360 5.817565 -8.280165\nLi Mg Sn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.248571 0.248571 Sn\n0.000000 0.751429 0.751429 Sn\n",
"nsites": 4,
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"volume": 1064.0571185668553,
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"formula_full": "Li1 Mg1 Sn2",
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"updated_at": "2021-11-28T01:35:20.868000Z",
"spacegroup": 71
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{
"id": "mp-1209103",
"created_at": "2022-09-04T14:47:20.378335Z",
"structure_string": "Rb1 N1\n1.0\n3.622975 0.000000 0.000000\n0.000000 3.622975 0.000000\n0.000000 0.000000 3.622975\nRb N\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
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"elements": [
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"density": 3.4734803842905704,
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"volume": 47.5549809141181,
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"formula_full": "Rb1 N1",
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"updated_at": "2021-11-28T01:38:07.332000Z",
"spacegroup": 221
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{
"id": "mp-1186151",
"created_at": "2022-09-04T14:40:04.037969Z",
"structure_string": "Na1 Li3\n1.0\n-2.277934 2.277934 4.714300\n2.277934 -2.277934 4.714300\n2.277934 2.277934 -4.714300\nNa Li\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n",
"nsites": 4,
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"elements": [
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"density": 0.7435160041161369,
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"volume": 97.84969604233076,
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"formula_full": "Na1 Li3",
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"updated_at": "2021-11-28T01:34:46.883000Z",
"spacegroup": 139
},
{
"id": "mp-1062711",
"created_at": "2022-09-04T14:45:09.390184Z",
"structure_string": "Rb2 Pd1\n1.0\n0.000000 4.123218 4.123218\n4.123218 0.000000 4.123218\n4.123218 4.123218 0.000000\nRb Pd\n2 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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"density": 3.285089071090857,
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"volume": 140.1970537704014,
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"formula_full": "Rb2 Pd1",
"formula_reduced": "Rb2Pd",
"formula_anonymous": "AB2",
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"total_magnetization": 3.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.436000Z",
"spacegroup": 225
},
{
"id": "mp-1058887",
"created_at": "2022-09-04T14:47:25.463730Z",
"structure_string": "Tl1 C1\n1.0\n3.409594 0.000000 0.000000\n0.000000 3.409594 0.000000\n0.000000 0.000000 3.233774\nTl C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.000000 C\n",
"nsites": 2,
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"elements": [
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"density": 9.558270371981367,
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"volume": 37.593693920938286,
"volume_molar": 11.319725824012336,
"formula_full": "Tl1 C1",
"formula_reduced": "TlC",
"formula_anonymous": "AB",
"energy": -6.83986969,
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"energy_uncorrected": -6.83986969,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:10.605000Z",
"spacegroup": 123
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{
"id": "mp-1039056",
"created_at": "2022-09-04T14:47:08.519272Z",
"structure_string": "Mg2 Cd4\n1.0\n1.558158 -2.698809 0.000000\n1.558158 2.698809 0.000000\n0.000000 0.000000 16.126172\nMg Cd\n2 4\ndirect\n0.666667 0.333333 0.584470 Mg\n0.333333 0.666667 0.415530 Mg\n0.666667 0.333333 0.916476 Cd\n0.333333 0.666667 0.748552 Cd\n0.666667 0.333333 0.251448 Cd\n0.333333 0.666667 0.083524 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
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"density": 6.1003529734261255,
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"volume": 135.62661631119397,
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"formula_full": "Mg2 Cd4",
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"formula_anonymous": "AB2",
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{
"id": "mp-1179691",
"created_at": "2022-09-04T14:43:58.401589Z",
"structure_string": "Rb1 N1\n1.0\n-2.070089 2.290615 3.019869\n2.070089 -2.290615 3.019869\n2.070089 2.290615 -3.019869\nRb N\n1 1\ndirect\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 N\n",
"nsites": 2,
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"elements": [
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{
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"created_at": "2022-09-04T14:45:08.825561Z",
"structure_string": "In1 Sb1\n1.0\n3.807652 0.000000 0.000000\n0.000000 3.807652 0.000000\n0.000000 0.000000 3.807652\nIn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n",
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"elements": [
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{
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"structure_string": "Hg2 Pt1\n1.0\n4.839356 0.000000 0.000000\n0.000000 4.839356 0.000000\n0.000000 0.000000 2.989082\nHg Pt\n2 1\ndirect\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
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{
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"structure_string": "Na3 Ga1\n1.0\n4.831935 0.000000 0.000000\n0.000000 4.831935 0.000000\n0.000000 0.000000 4.831935\nNa Ga\n3 1\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Ga\n",
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}