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{
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"results": [
{
"id": "mp-1027961",
"created_at": "2022-09-04T14:48:13.033374Z",
"structure_string": "La1 Mg14 Fe1\n1.0\n6.525832 0.277872 0.000000\n-3.022272 5.234727 0.000000\n0.000000 0.000000 10.373648\nLa Mg Fe\n1 14 1\ndirect\n0.133609 0.816804 0.125000 La\n0.157042 0.328521 0.625000 Mg\n0.167788 0.833894 0.625000 Mg\n0.626376 0.322814 0.125000 Mg\n0.659683 0.326065 0.625000 Mg\n0.626376 0.803561 0.125000 Mg\n0.659683 0.833617 0.625000 Mg\n0.342977 0.177818 0.375711 Mg\n0.342977 0.177818 0.874289 Mg\n0.342977 0.665160 0.375711 Mg\n0.342977 0.665160 0.874289 Mg\n0.871156 0.185578 0.343357 Mg\n0.871156 0.185578 0.906643 Mg\n0.835019 0.667510 0.391432 Mg\n0.835019 0.667510 0.858568 Mg\n0.185184 0.342591 0.125000 Fe\n",
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{
"id": "mp-1028102",
"created_at": "2022-09-04T14:45:05.593028Z",
"structure_string": "Mg14 Mn1 Ga1\n1.0\n6.279921 0.004906 0.000000\n-3.135712 5.431212 0.000000\n0.000000 0.000000 10.210481\nMg Mn Ga\n14 1 1\ndirect\n0.168242 0.334120 0.625000 Mg\n0.167582 0.833791 0.625000 Mg\n0.669796 0.333931 0.125000 Mg\n0.665535 0.333232 0.625000 Mg\n0.669796 0.835864 0.125000 Mg\n0.665535 0.832302 0.625000 Mg\n0.328928 0.165527 0.364770 Mg\n0.328928 0.165527 0.885230 Mg\n0.328928 0.663402 0.364770 Mg\n0.328928 0.663402 0.885230 Mg\n0.838081 0.169041 0.370656 Mg\n0.838081 0.169041 0.879344 Mg\n0.836820 0.668411 0.371690 Mg\n0.836820 0.668411 0.878310 Mg\n0.162472 0.331235 0.125000 Mn\n0.165528 0.832764 0.125000 Ga\n",
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"chemical_system": "Ga-Mg-Mn",
"density": 2.215871989861588,
"density_atomic": 0.04592265688327792,
"volume": 348.41189700037086,
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"formula_full": "Mg14 Mn1 Ga1",
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"updated_at": "2021-11-28T01:36:51.568000Z",
"spacegroup": 38
},
{
"id": "mp-978500",
"created_at": "2022-09-04T14:40:57.254159Z",
"structure_string": "Si2 Tc1 Os1\n1.0\n0.000000 2.963826 2.963826\n2.963826 0.000000 2.963826\n2.963826 2.963826 0.000000\nSi Tc Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.750000 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Os\n",
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"elements": [
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"chemical_system": "Os-Si-Tc",
"density": 10.983111561265975,
"density_atomic": 0.07681957233293084,
"volume": 52.07006337739385,
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"formula_full": "Si2 Tc1 Os1",
"formula_reduced": "Si2TcOs",
"formula_anonymous": "ABC2",
"energy": -34.10146347,
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"updated_at": "2021-11-28T01:35:20.226000Z",
"spacegroup": 225
},
{
"id": "mp-1113994",
"created_at": "2022-09-04T14:41:53.981060Z",
"structure_string": "Rb2 Tl2 Cl6\n1.0\n0.000000 5.632087 5.632087\n5.632087 0.000000 5.632087\n5.632087 5.632087 0.000000\nRb Tl Cl\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.765958 0.234042 0.234042 Cl\n0.234042 0.234042 0.765958 Cl\n0.234042 0.765958 0.765958 Cl\n0.234042 0.765958 0.234042 Cl\n0.765958 0.234042 0.765958 Cl\n0.765958 0.765958 0.234042 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Rb-Tl",
"density": 3.682701978841444,
"density_atomic": 0.027987360369382146,
"volume": 357.304149731101,
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"formula_full": "Rb2 Tl2 Cl6",
"formula_reduced": "RbTlCl3",
"formula_anonymous": "ABC3",
"energy": -34.10039869,
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"updated_at": "2021-11-28T01:35:33.989000Z",
"spacegroup": 225
},
{
"id": "mp-1206793",
"created_at": "2022-09-04T14:39:38.823994Z",
"structure_string": "U2 I2 O1\n1.0\n3.836286 0.000000 0.000000\n0.000000 3.836286 0.000000\n0.000000 0.000000 13.749069\nU I O\n2 2 1\ndirect\n0.500000 0.500000 0.149857 U\n0.500000 0.500000 0.850143 U\n0.500000 0.500000 0.640304 I\n0.500000 0.500000 0.359696 I\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
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"elements": [
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"I",
"O"
],
"chemical_system": "I-O-U",
"density": 6.120892551352915,
"density_atomic": 0.024710114569228555,
"volume": 202.34628965365008,
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"formula_full": "U2 I2 O1",
"formula_reduced": "U2I2O",
"formula_anonymous": "AB2C2",
"energy": -34.09891456,
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"updated_at": "2021-11-28T01:34:33.689000Z",
"spacegroup": 123
},
{
"id": "mp-28421",
"created_at": "2022-09-04T14:40:30.814903Z",
"structure_string": "Cs4 Hg2 I8\n1.0\n8.614986 0.000000 0.000000\n0.000000 8.141432 0.000000\n0.000000 3.867112 10.603417\nCs Hg I\n4 2 8\ndirect\n0.750000 0.802275 0.534892 Cs\n0.250000 0.299792 0.909697 Cs\n0.250000 0.197725 0.465108 Cs\n0.750000 0.700208 0.090303 Cs\n0.750000 0.184858 0.723478 Hg\n0.250000 0.815142 0.276522 Hg\n0.986331 0.039515 0.214834 I\n0.750000 0.424703 0.855202 I\n0.250000 0.643924 0.546549 I\n0.750000 0.356076 0.453451 I\n0.513669 0.039515 0.214834 I\n0.250000 0.575297 0.144798 I\n0.486331 0.960485 0.785166 I\n0.013669 0.960485 0.785166 I\n",
"nsites": 14,
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"elements": [
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"Hg",
"I"
],
"chemical_system": "Cs-Hg-I",
"density": 4.349558820200799,
"density_atomic": 0.01882464602603129,
"volume": 743.705883268157,
"volume_molar": 31.9907250934355,
"formula_full": "Cs4 Hg2 I8",
"formula_reduced": "Cs2HgI4",
"formula_anonymous": "AB2C4",
"energy": -34.09804855,
"energy_per_atom": -2.4355748964285717,
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"updated_at": "2021-11-28T01:35:05.091000Z",
"spacegroup": 11
},
{
"id": "mp-1027824",
"created_at": "2022-09-04T14:46:17.880311Z",
"structure_string": "Mg14 V1 Cu1\n1.0\n6.259592 -0.007294 0.000000\n-3.136113 5.431906 0.000000\n0.000000 0.000000 9.993361\nMg V Cu\n14 1 1\ndirect\n0.168802 0.334401 0.625000 Mg\n0.169976 0.834987 0.625000 Mg\n0.669233 0.339484 0.125000 Mg\n0.664787 0.331799 0.625000 Mg\n0.669233 0.829748 0.125000 Mg\n0.664787 0.832987 0.625000 Mg\n0.325609 0.163768 0.360464 Mg\n0.325609 0.163768 0.889536 Mg\n0.325609 0.661842 0.360464 Mg\n0.325609 0.661842 0.889536 Mg\n0.840429 0.170215 0.365747 Mg\n0.840429 0.170215 0.884253 Mg\n0.839672 0.669836 0.372433 Mg\n0.839672 0.669836 0.877567 Mg\n0.162767 0.831383 0.125000 V\n0.167776 0.333887 0.125000 Cu\n",
"nsites": 16,
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"elements": [
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"V",
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],
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"density": 2.22388022278017,
"density_atomic": 0.04711968814883717,
"volume": 339.56082114679384,
"volume_molar": 12.780519134544859,
"formula_full": "Mg14 V1 Cu1",
"formula_reduced": "Mg14VCu",
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"updated_at": "2021-11-28T01:37:28.233000Z",
"spacegroup": 38
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{
"id": "mp-865530",
"created_at": "2022-09-04T14:46:17.444877Z",
"structure_string": "Y1 Th1 Ru2\n1.0\n0.000000 3.488356 3.488356\n3.488356 0.000000 3.488356\n3.488356 3.488356 0.000000\nY Th Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Th\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
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"density": 10.231235079378248,
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"volume": 84.89701008000524,
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"formula_full": "Y1 Th1 Ru2",
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{
"id": "mp-1184647",
"created_at": "2022-09-04T14:39:27.950945Z",
"structure_string": "Hf1 Zr1 Co2\n1.0\n0.000000 3.163180 3.163180\n3.163180 0.000000 3.163180\n3.163180 3.163180 0.000000\nHf Zr Co\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
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{
"id": "mp-1205638",
"created_at": "2022-09-04T14:47:57.610821Z",
"structure_string": "Cs6 Br2 O2\n1.0\n4.024424 -6.970507 0.000000\n4.024424 6.970507 0.000000\n0.000000 0.000000 7.294634\nCs Br O\n6 2 2\ndirect\n0.156569 0.313137 0.250000 Cs\n0.843431 0.686863 0.750000 Cs\n0.686863 0.843431 0.250000 Cs\n0.313137 0.156569 0.750000 Cs\n0.156569 0.843431 0.250000 Cs\n0.843431 0.156569 0.750000 Cs\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
"id": "mp-1028063",
"created_at": "2022-09-04T14:40:53.108904Z",
"structure_string": "Mg14 Mn1 Ga1\n1.0\n6.249223 0.000000 -0.000000\n-3.124611 5.411985 0.000000\n0.000000 0.000000 10.261031\nMg Mn Ga\n14 1 1\ndirect\n0.167114 0.833557 0.125000 Mg\n0.166025 0.833012 0.625000 Mg\n0.666443 0.332886 0.125000 Mg\n0.666988 0.333975 0.625000 Mg\n0.666443 0.833557 0.125000 Mg\n0.666988 0.833012 0.625000 Mg\n0.330460 0.169540 0.373657 Mg\n0.330460 0.169540 0.876343 Mg\n0.330460 0.660921 0.373657 Mg\n0.330460 0.660921 0.876343 Mg\n0.839079 0.169540 0.373657 Mg\n0.839079 0.169540 0.876343 Mg\n0.833333 0.666667 0.374366 Mg\n0.833333 0.666667 0.875634 Mg\n0.166667 0.333333 0.125000 Mn\n0.166667 0.333333 0.625000 Ga\n",
"nsites": 16,
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"density": 2.2246620047621812,
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"volume": 347.0352628152131,
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{
"id": "mp-1216738",
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"structure_string": "U2 As1 Se1\n1.0\n3.516592 0.000000 0.000000\n0.000000 3.516592 0.000000\n0.000000 0.000000 7.128213\nU As Se\n2 1 1\ndirect\n0.500000 0.500000 0.242911 U\n0.500000 0.500000 0.757089 U\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 Se\n",
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]
}