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{
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"results": [
{
"id": "mp-1026816",
"created_at": "2022-09-04T14:39:13.550888Z",
"structure_string": "Li1 Mg14 Cr1\n1.0\n6.355738 -0.000000 0.000000\n-3.177869 5.504230 0.000000\n0.000000 -0.000000 10.064978\nLi Mg Cr\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Li\n0.167648 0.833824 0.125000 Mg\n0.167888 0.833943 0.625000 Mg\n0.666176 0.332352 0.125000 Mg\n0.666057 0.332112 0.625000 Mg\n0.666176 0.833824 0.125000 Mg\n0.666057 0.833943 0.625000 Mg\n0.330999 0.169001 0.376535 Mg\n0.330999 0.169001 0.873465 Mg\n0.330999 0.662000 0.376535 Mg\n0.330999 0.662000 0.873465 Mg\n0.838000 0.169001 0.376535 Mg\n0.838000 0.169001 0.873465 Mg\n0.833333 0.666667 0.373994 Mg\n0.833333 0.666667 0.876006 Mg\n0.166667 0.333333 0.625000 Cr\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Cr-Li-Mg",
"density": 1.882660301604355,
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"volume": 352.1075919268001,
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"formula_full": "Li1 Mg14 Cr1",
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"updated_at": "2021-11-28T01:34:30.145000Z",
"spacegroup": 187
},
{
"id": "mp-1071848",
"created_at": "2022-09-04T14:48:27.057426Z",
"structure_string": "Pr4 Sb2\n1.0\n-2.308436 2.308436 8.972169\n2.308436 -2.308436 8.972169\n2.308436 2.308436 -8.972169\nPr Sb\n4 2\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.679836 0.679836 0.000000 Pr\n0.320164 0.320164 0.000000 Pr\n0.862024 0.862024 0.000000 Sb\n0.137976 0.137976 0.000000 Sb\n",
"nsites": 6,
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"elements": [
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"density": 7.008265685407553,
"density_atomic": 0.03137315077676005,
"volume": 191.24633170234708,
"volume_molar": 19.195205489086412,
"formula_full": "Pr4 Sb2",
"formula_reduced": "Pr2Sb",
"formula_anonymous": "AB2",
"energy": -32.87105319,
"energy_per_atom": -5.478508864999999,
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"energy_uncorrected": -32.48705319,
"band_gap": 0.0,
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"total_magnetization": 3.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:20.164000Z",
"spacegroup": 139
},
{
"id": "mp-979293",
"created_at": "2022-09-04T14:43:41.723878Z",
"structure_string": "Sm6 I2\n1.0\n3.511215 -6.081603 0.000000\n3.511215 6.081603 0.000000\n0.000000 0.000000 5.753381\nSm I\n6 2\ndirect\n0.834185 0.165815 0.750000 Sm\n0.331631 0.165815 0.750000 Sm\n0.834185 0.668369 0.750000 Sm\n0.165815 0.834185 0.250000 Sm\n0.668369 0.834185 0.250000 Sm\n0.165815 0.331631 0.250000 Sm\n0.666667 0.333333 0.250000 I\n0.333333 0.666667 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"I"
],
"chemical_system": "I-Sm",
"density": 7.8120792873374105,
"density_atomic": 0.03255827348640303,
"volume": 245.71327479452975,
"volume_molar": 18.49649909266523,
"formula_full": "Sm6 I2",
"formula_reduced": "Sm3I",
"formula_anonymous": "AB3",
"energy": -32.87087433,
"energy_per_atom": -4.10885929125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -32.11287433,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0064105,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.565000Z",
"spacegroup": 194
},
{
"id": "mp-23232",
"created_at": "2022-09-04T14:47:58.361483Z",
"structure_string": "Fe2 Br6\n1.0\n6.673860 -3.157973 0.000000\n6.673860 3.157973 0.000000\n5.179553 0.000000 5.261695\nFe Br\n2 6\ndirect\n0.333426 0.333426 0.333426 Fe\n0.666574 0.666574 0.666574 Fe\n0.441405 0.701677 0.071344 Br\n0.701677 0.071344 0.441405 Br\n0.071344 0.441405 0.701677 Br\n0.558595 0.298323 0.928656 Br\n0.298323 0.928656 0.558595 Br\n0.928656 0.558595 0.298323 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Br"
],
"chemical_system": "Br-Fe",
"density": 4.425671475225835,
"density_atomic": 0.03607022211016785,
"volume": 221.7895962926404,
"volume_molar": 16.695602099723185,
"formula_full": "Fe2 Br6",
"formula_reduced": "FeBr3",
"formula_anonymous": "AB3",
"energy": -32.87065925,
"energy_per_atom": -4.10883240625,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:28.448000Z",
"spacegroup": 148
},
{
"id": "mp-1223023",
"created_at": "2022-09-04T14:41:24.404433Z",
"structure_string": "La1 Eu1 Al4\n1.0\n0.000000 4.079341 4.079341\n4.079341 0.000000 4.079341\n4.079341 4.079341 0.000000\nLa Eu Al\n1 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Eu\n0.625001 0.625001 0.124998 Al\n0.625001 0.124998 0.625001 Al\n0.124998 0.625001 0.625001 Al\n0.625001 0.625001 0.625001 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Eu",
"Al"
],
"chemical_system": "Al-Eu-La",
"density": 4.877524452514585,
"density_atomic": 0.04419276996992372,
"volume": 135.76881476502652,
"volume_molar": 13.626981888889267,
"formula_full": "La1 Eu1 Al4",
"formula_reduced": "LaEuAl4",
"formula_anonymous": "ABC4",
"energy": -32.87063349,
"energy_per_atom": -5.478438915000001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -32.87063349,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.1853667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.754000Z",
"spacegroup": 216
},
{
"id": "mp-1188015",
"created_at": "2022-09-04T14:47:06.426247Z",
"structure_string": "Zr1 Sb1 Ru2\n1.0\n0.000000 3.256025 3.256025\n3.256025 0.000000 3.256025\n3.256025 3.256025 0.000000\nZr Sb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb-Zr",
"density": 9.984670831834645,
"density_atomic": 0.05793844076695527,
"volume": 69.03879267461005,
"volume_molar": 10.394033184673964,
"formula_full": "Zr1 Sb1 Ru2",
"formula_reduced": "ZrSbRu2",
"formula_anonymous": "ABC2",
"energy": -32.8704954,
"energy_per_atom": -8.21762385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -32.8704954,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.0000324,
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"updated_at": "2021-11-28T01:37:52.388000Z",
"spacegroup": 225
},
{
"id": "mp-2417",
"created_at": "2022-09-04T14:46:01.838351Z",
"structure_string": "Dy1 Ir3\n1.0\n4.057736 0.000000 0.000000\n0.000000 4.057736 0.000000\n0.000000 0.000000 4.057736\nDy Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"Ir"
],
"chemical_system": "Dy-Ir",
"density": 18.370919841348627,
"density_atomic": 0.05986991302914313,
"volume": 66.81152180817271,
"volume_molar": 10.058709717965645,
"formula_full": "Dy1 Ir3",
"formula_reduced": "DyIr3",
"formula_anonymous": "AB3",
"energy": -32.87015844,
"energy_per_atom": -8.21753961,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -32.87015844,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:19.127000Z",
"spacegroup": 221
},
{
"id": "mp-570680",
"created_at": "2022-09-04T14:46:08.316788Z",
"structure_string": "Er1 Ge2 Rh2\n1.0\n-2.068820 2.068820 5.163127\n2.068820 -2.068820 5.163127\n2.068820 2.068820 -5.163127\nEr Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.378996 0.378996 0.000000 Ge\n0.621004 0.621004 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Ge",
"Rh"
],
"chemical_system": "Er-Ge-Rh",
"density": 9.737646155769788,
"density_atomic": 0.0565655212128714,
"volume": 88.39306865367055,
"volume_molar": 10.646310032814956,
"formula_full": "Er1 Ge2 Rh2",
"formula_reduced": "Er(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -32.87001451,
"energy_per_atom": -6.574002901999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -32.87001451,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:22.003000Z",
"spacegroup": 139
},
{
"id": "mp-1215755",
"created_at": "2022-09-04T14:42:53.030007Z",
"structure_string": "Zn4 Te1 O3\n1.0\n-2.383646 -2.383646 0.000000\n-2.576874 2.576874 -5.179649\n2.576874 -2.576874 -5.179649\nZn Te O\n4 1 3\ndirect\n0.000000 0.994981 0.994981 Zn\n0.500000 0.937885 0.528510 Zn\n0.500000 0.528510 0.937885 Zn\n0.000000 0.552641 0.552641 Zn\n0.500000 0.364319 0.364319 Te\n0.000000 0.372561 0.874732 O\n0.000000 0.874732 0.372561 O\n0.500000 0.874372 0.874372 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Te",
"O"
],
"chemical_system": "O-Te-Zn",
"density": 5.70516170727181,
"density_atomic": 0.06286294506994357,
"volume": 127.26098007496965,
"volume_molar": 9.579794190837783,
"formula_full": "Zn4 Te1 O3",
"formula_reduced": "Zn4TeO3",
"formula_anonymous": "AB3C4",
"energy": -32.86953905,
"energy_per_atom": -4.10869238125,
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"updated_at": "2021-11-28T01:35:52.193000Z",
"spacegroup": 38
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{
"id": "mp-1110729",
"created_at": "2022-09-04T14:42:15.027699Z",
"structure_string": "Rb3 Sb1 Br6\n1.0\n0.000000 6.071860 6.071860\n6.071860 0.000000 6.071860\n6.071860 6.071860 0.000000\nRb Sb Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.768396 0.231604 0.231604 Br\n0.231604 0.231604 0.768396 Br\n0.231604 0.768396 0.768396 Br\n0.231604 0.768396 0.231604 Br\n0.768396 0.231604 0.768396 Br\n0.768396 0.768396 0.231604 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-Rb-Sb",
"density": 3.180769843137591,
"density_atomic": 0.022335966838082356,
"volume": 447.7084010955017,
"volume_molar": 26.961630108316495,
"formula_full": "Rb3 Sb1 Br6",
"formula_reduced": "Rb3SbBr6",
"formula_anonymous": "AB3C6",
"energy": -32.8677617,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:44.414000Z",
"spacegroup": 225
},
{
"id": "mp-1026428",
"created_at": "2022-09-04T14:46:09.362694Z",
"structure_string": "Hf1 Mg14 Cd1\n1.0\n6.404202 0.029775 0.000000\n-3.176315 5.501539 0.000000\n0.000000 0.000000 10.155597\nHf Mg Cd\n1 14 1\ndirect\n0.163261 0.831630 0.125000 Hf\n0.166345 0.333172 0.625000 Mg\n0.166720 0.833359 0.625000 Mg\n0.663486 0.335127 0.125000 Mg\n0.666534 0.332820 0.625000 Mg\n0.663486 0.828359 0.125000 Mg\n0.666534 0.833713 0.625000 Mg\n0.331637 0.162626 0.372933 Mg\n0.331637 0.162626 0.877067 Mg\n0.331637 0.669012 0.372933 Mg\n0.331637 0.669012 0.877067 Mg\n0.834187 0.167094 0.372250 Mg\n0.834187 0.167094 0.877750 Mg\n0.838150 0.669075 0.374418 Mg\n0.838150 0.669075 0.875582 Mg\n0.172412 0.336205 0.125000 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Hf-Mg",
"density": 2.921307379379427,
"density_atomic": 0.044596533739171745,
"volume": 358.7722779886425,
"volume_molar": 13.50360724270909,
"formula_full": "Hf1 Mg14 Cd1",
"formula_reduced": "HfMg14Cd",
"formula_anonymous": "ABC14",
"energy": -32.86668576,
"energy_per_atom": -2.05416786,
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"updated_at": "2021-11-28T01:37:25.492000Z",
"spacegroup": 38
},
{
"id": "mp-4660",
"created_at": "2022-09-04T14:47:30.781840Z",
"structure_string": "Tm1 Fe2 Ge2\n1.0\n-1.973975 1.973975 5.088990\n1.973975 -1.973975 5.088990\n1.973975 1.973975 -5.088990\nTm Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.625607 0.625607 0.000000 Ge\n0.374393 0.374393 0.000000 Ge\n",
"nsites": 5,
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"elements": [
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"Ge"
],
"chemical_system": "Fe-Ge-Tm",
"density": 8.916330242188346,
"density_atomic": 0.06303693945600947,
"volume": 79.31857166843048,
"volume_molar": 9.553352069388726,
"formula_full": "Tm1 Fe2 Ge2",
"formula_reduced": "Tm(FeGe)2",
"formula_anonymous": "AB2C2",
"energy": -32.86582196,
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"updated_at": "2021-11-28T01:38:11.327000Z",
"spacegroup": 139
}
]
}