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{
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"results": [
{
"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",
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"volume": 2393.8895674068867,
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"formula_full": "Ba1 Na2 Ca1",
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{
"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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"formula_full": "Li1 Ca2 Zn1",
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"updated_at": "2021-11-28T01:36:12.144000Z",
"spacegroup": 71
},
{
"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,
"density_atomic": 0.013627404705042282,
"volume": 146.7630882980953,
"volume_molar": 44.19139880517194,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -2.20404441,
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"energy_uncorrected": -2.20404441,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.695000Z",
"spacegroup": 63
},
{
"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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],
"chemical_system": "K",
"density": 0.8729310679898711,
"density_atomic": 0.013445376824641508,
"volume": 148.75001467676051,
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"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -2.19756261,
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"energy_above_hull": null,
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"energy_uncorrected": -2.19756261,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.041000Z",
"spacegroup": 194
},
{
"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,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Ca"
],
"chemical_system": "Ca-Na-Sr",
"density": 0.13122109989924757,
"density_atomic": 0.0018199980057303224,
"volume": 2197.8046060522433,
"volume_molar": 330.8872175155739,
"formula_full": "Na2 Sr1 Ca1",
"formula_reduced": "Na2SrCa",
"formula_anonymous": "ABC2",
"energy": -2.17382391,
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"energy_above_hull": null,
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"energy_uncorrected": -2.17382391,
"band_gap": 0.3722999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.992000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Tl",
"Hg"
],
"chemical_system": "Hg-K-Tl",
"density": 0.7861879628033146,
"density_atomic": 0.0029376867351524325,
"volume": 1361.6155705562137,
"volume_molar": 204.9960156724308,
"formula_full": "K1 Tl1 Hg2",
"formula_reduced": "KTlHg2",
"formula_anonymous": "ABC2",
"energy": -2.17041384,
"energy_per_atom": -0.54260346,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.17041384,
"band_gap": 0.0,
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"total_magnetization": 0.1652586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.141000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
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"elements": [
"Li",
"Mg",
"Cd"
],
"chemical_system": "Cd-Li-Mg",
"density": 0.2332221204008171,
"density_atomic": 0.0033447956987526996,
"volume": 1195.8876894907605,
"volume_molar": 180.0450999816133,
"formula_full": "Li1 Mg2 Cd1",
"formula_reduced": "LiMg2Cd",
"formula_anonymous": "ABC2",
"energy": -2.15953473,
"energy_per_atom": -0.5398836825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -2.15953473,
"band_gap": 0.0643,
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"total_magnetization": 0.0036256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.214000Z",
"spacegroup": 71
},
{
"id": "mp-1095761",
"created_at": "2022-09-04T14:41:10.940089Z",
"structure_string": "Li1 Mg1 Zn2\n1.0\n-5.582149 5.604890 7.895334\n5.582149 -5.604890 7.895334\n5.582149 5.604890 -7.895334\nLi Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n0.241277 0.000000 0.241277 Zn\n0.758723 0.000000 0.758723 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 0.2723558040525309,
"density_atomic": 0.004048190811961016,
"volume": 988.095716284265,
"volume_molar": 148.7612871954217,
"formula_full": "Li1 Mg1 Zn2",
"formula_reduced": "LiMgZn2",
"formula_anonymous": "ABC2",
"energy": -2.14937922,
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"energy_uncorrected": -2.14937922,
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"updated_at": "2021-11-28T01:35:08.084000Z",
"spacegroup": 71
},
{
"id": "mp-1095995",
"created_at": "2022-09-04T14:40:56.137544Z",
"structure_string": "Na1 Tl1 Hg2\n1.0\n-5.949219 6.021277 8.548806\n5.949219 -6.021277 8.548806\n5.949219 6.021277 -8.548806\nNa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Tl\n0.248512 0.000000 0.248512 Hg\n0.751488 0.000000 0.751488 Hg\n",
"nsites": 4,
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"elements": [
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"Tl",
"Hg"
],
"chemical_system": "Hg-Na-Tl",
"density": 0.8520734493816344,
"density_atomic": 0.0032654720834860017,
"volume": 1224.9377418440108,
"volume_molar": 184.4186875905294,
"formula_full": "Na1 Tl1 Hg2",
"formula_reduced": "NaTlHg2",
"formula_anonymous": "ABC2",
"energy": -2.1491958,
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"energy_uncorrected": -2.1491958,
"band_gap": 0.0341,
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"updated_at": "2021-11-28T01:34:58.299000Z",
"spacegroup": 71
},
{
"id": "mp-1097658",
"created_at": "2022-09-04T14:44:09.740267Z",
"structure_string": "Ba1 Na2 Sr1\n1.0\n-7.484931 7.808815 10.604926\n7.484931 -7.808815 10.604926\n7.484931 7.808815 -10.604926\nBa Na Sr\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.246913 0.000000 0.246913 Na\n0.753087 0.000000 0.753087 Na\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.18145129703615767,
"density_atomic": 0.0016133159313544878,
"volume": 2479.3655862814976,
"volume_molar": 373.2772139021776,
"formula_full": "Ba1 Na2 Sr1",
"formula_reduced": "BaNa2Sr",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:26.066000Z",
"spacegroup": 71
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{
"id": "mp-1056079",
"created_at": "2022-09-04T14:42:54.420688Z",
"structure_string": "Cu1\n1.0\n2.289597 0.000000 0.000000\n0.000000 11.842895 0.000000\n0.000000 4.704599 22.255763\nCu\n1\ndirect\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 1,
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"elements": [
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"volume": 603.4751815866622,
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"formula_full": "Cu1",
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"energy": -2.11627218,
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"updated_at": "2021-11-28T01:35:51.816000Z",
"spacegroup": 10
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{
"id": "mp-11299",
"created_at": "2022-09-04T14:40:25.393244Z",
"structure_string": "Cd2 Hg1\n1.0\n-2.021784 2.021784 4.422565\n2.021784 -2.021784 4.422565\n2.021784 2.021784 -4.422565\nCd Hg\n2 1\ndirect\n0.333375 0.333375 0.000000 Cd\n0.666625 0.666625 0.000000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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"density": 9.769112416872575,
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"volume": 72.31089327832571,
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"formula_full": "Cd2 Hg1",
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"formula_anonymous": "AB2",
"energy": -2.10430577,
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"updated_at": "2021-11-28T01:35:02.978000Z",
"spacegroup": 139
}
]
}