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{
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{
"id": "mp-1096545",
"created_at": "2022-09-04T14:44:31.210892Z",
"structure_string": "Li1 Mg2 Cd1\n1.0\n-5.931944 6.008799 8.387754\n5.931944 -6.008799 8.387754\n5.931944 6.008799 -8.387754\nLi Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.751290 0.000000 0.751290 Mg\n0.248710 0.000000 0.248710 Mg\n0.500000 0.000000 0.500000 Cd\n",
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{
"id": "mp-1096121",
"created_at": "2022-09-04T14:45:14.248876Z",
"structure_string": "K1 Tl1 Hg2\n1.0\n-6.225479 6.437354 8.494041\n6.225479 -6.437354 8.494041\n6.225479 6.437354 -8.494041\nK Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Tl\n0.259780 0.000000 0.259780 Hg\n0.740220 0.000000 0.740220 Hg\n",
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"spacegroup": 71
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{
"id": "mp-1097085",
"created_at": "2022-09-04T14:40:24.763821Z",
"structure_string": "Na2 Sr1 Ca1\n1.0\n-7.244435 7.387244 10.266966\n7.244435 -7.387244 10.266966\n7.244435 7.387244 -10.266966\nNa Sr Ca\n2 1 1\ndirect\n0.754228 0.000000 0.754228 Na\n0.245772 0.000000 0.245772 Na\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"density": 0.13122109989924757,
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"volume": 2197.8046060522433,
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"formula_full": "Na2 Sr1 Ca1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.992000Z",
"spacegroup": 71
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{
"id": "mp-1184755",
"created_at": "2022-09-04T14:41:36.653318Z",
"structure_string": "K2\n1.0\n2.379088 -4.120701 0.000000\n2.379088 4.120701 0.000000\n0.000000 0.000000 7.586569\nK\n2\ndirect\n0.333333 0.666667 0.250000 K\n0.666667 0.333333 0.750000 K\n",
"nsites": 2,
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"elements": [
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"density": 0.8729310679898711,
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"volume": 148.75001467676051,
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"formula_full": "K2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.041000Z",
"spacegroup": 194
},
{
"id": "mp-972981",
"created_at": "2022-09-04T14:42:04.406659Z",
"structure_string": "K2\n1.0\n2.387715 -4.017190 0.000000\n2.387715 4.017190 0.000000\n0.000000 0.000000 7.650362\nK\n2\ndirect\n0.820386 0.179614 0.250000 K\n0.179614 0.820386 0.750000 K\n",
"nsites": 2,
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"elements": [
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"density": 0.8847490924390605,
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"volume": 146.7630882980953,
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"formula_full": "K2",
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"updated_at": "2021-11-28T01:35:37.695000Z",
"spacegroup": 63
},
{
"id": "mp-1093601",
"created_at": "2022-09-04T14:43:57.068834Z",
"structure_string": "Li1 Ca2 Zn1\n1.0\n-6.213066 6.668243 8.793188\n6.213066 -6.668243 8.793188\n6.213066 6.668243 -8.793188\nLi Ca Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.744963 0.000000 0.744963 Ca\n0.255037 0.000000 0.255037 Ca\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Ca",
"Zn"
],
"chemical_system": "Ca-Li-Zn",
"density": 0.17378500196334226,
"density_atomic": 0.0027449614943983614,
"volume": 1457.2153409666378,
"volume_molar": 219.38889752331218,
"formula_full": "Li1 Ca2 Zn1",
"formula_reduced": "LiCa2Zn",
"formula_anonymous": "ABC2",
"energy": -2.20816651,
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"energy_uncorrected": -2.20816651,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.144000Z",
"spacegroup": 71
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{
"id": "mp-1096333",
"created_at": "2022-09-04T14:39:21.002481Z",
"structure_string": "Ba1 Na2 Ca1\n1.0\n-7.450149 7.615814 10.547823\n7.450149 -7.615814 10.547823\n7.450149 7.615814 -10.547823\nBa Na Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.238419 0.000000 0.238419 Na\n0.761581 0.000000 0.761581 Na\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"elements": [
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"Na",
"Ca"
],
"chemical_system": "Ba-Ca-Na",
"density": 0.15495232453646685,
"density_atomic": 0.0016709208538524553,
"volume": 2393.8895674068867,
"volume_molar": 360.4084984704945,
"formula_full": "Ba1 Na2 Ca1",
"formula_reduced": "BaNa2Ca",
"formula_anonymous": "ABC2",
"energy": -2.21832667,
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"total_magnetization": 9.27e-05,
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"updated_at": "2021-11-28T01:34:34.421000Z",
"spacegroup": 71
},
{
"id": "mp-1096633",
"created_at": "2022-09-04T14:42:17.314316Z",
"structure_string": "K2 Na1 Hg1\n1.0\n-6.936203 7.334759 9.804301\n6.936203 -7.334759 9.804301\n6.936203 7.334759 -9.804301\nK Na Hg\n2 1 1\ndirect\n0.251699 0.000000 0.251699 K\n0.748301 0.000000 0.748301 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
"K",
"Na",
"Hg"
],
"chemical_system": "Hg-K-Na",
"density": 0.25115975780826716,
"density_atomic": 0.002004821542389508,
"volume": 1995.1900532914656,
"volume_molar": 300.3828835968277,
"formula_full": "K2 Na1 Hg1",
"formula_reduced": "K2NaHg",
"formula_anonymous": "ABC2",
"energy": -2.21979183,
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"updated_at": "2021-11-28T01:35:42.228000Z",
"spacegroup": 71
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{
"id": "mp-1039157",
"created_at": "2022-09-04T14:48:10.746599Z",
"structure_string": "Mg1 Cd1\n1.0\n0.000000 2.967908 2.967908\n2.967908 0.000000 2.967908\n2.967908 2.967908 0.000000\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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],
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"density": 4.341973233803538,
"density_atomic": 0.03825151993790555,
"volume": 52.28550403347735,
"volume_molar": 15.74353324985742,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
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"energy": -2.22348702,
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"updated_at": "2021-11-28T01:38:26.073000Z",
"spacegroup": 225
},
{
"id": "mp-570752",
"created_at": "2022-09-04T14:39:08.729714Z",
"structure_string": "H2\n1.0\n2.565599 -4.443747 0.000000\n2.565599 4.443747 0.000000\n0.000000 0.000000 3.811892\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 2,
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"elements": [
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"updated_at": "2021-11-28T01:34:30.676000Z",
"spacegroup": 194
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{
"id": "mp-1097519",
"created_at": "2022-09-04T14:41:58.677761Z",
"structure_string": "Na1 Sr2 Li1\n1.0\n-7.203664 7.390764 10.213560\n7.203664 -7.390764 10.213560\n7.203664 7.390764 -10.213560\nNa Sr Li\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Na\n0.755947 0.000000 0.755947 Sr\n0.244053 0.000000 0.244053 Sr\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"volume": 2175.103455908813,
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"formula_full": "Na1 Sr2 Li1",
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{
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"created_at": "2022-09-04T14:47:07.909560Z",
"structure_string": "H2\n1.0\n1.950199 -3.377844 0.000000\n1.950199 3.377844 0.000000\n0.000000 0.000000 6.355691\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
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"updated_at": "2021-11-28T01:37:54.863000Z",
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]
}