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{
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"results": [
{
"id": "mp-1232048",
"created_at": "2022-09-04T14:40:43.611511Z",
"structure_string": "Nd4 Mg2 Se8\n1.0\n-4.369662 4.369662 4.607561\n4.369662 -4.369662 4.607561\n4.369662 4.369662 -4.607561\nNd Mg Se\n4 2 8\ndirect\n0.875000 0.754422 0.379422 Nd\n0.504422 0.125000 0.879422 Nd\n0.375000 0.495578 0.620578 Nd\n0.245578 0.625000 0.120578 Nd\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.506557 0.376272 0.266323 Se\n0.759766 0.493443 0.869715 Se\n0.109949 0.240234 0.733677 Se\n0.623728 0.890051 0.130285 Se\n0.243443 0.009766 0.369715 Se\n0.990234 0.359949 0.233677 Se\n0.640051 0.873728 0.630285 Se\n0.126272 0.756557 0.766323 Se\n",
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],
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"volume": 351.90608359673945,
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"formula_full": "Nd4 Mg2 Se8",
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"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:35:08.749000Z",
"spacegroup": 122
},
{
"id": "mp-7457",
"created_at": "2022-09-04T14:40:43.613545Z",
"structure_string": "Sn4 F8\n1.0\n5.230188 0.000000 0.000000\n0.000000 5.230188 0.000000\n0.000000 0.000000 8.491666\nSn F\n4 8\ndirect\n0.003779 0.003779 0.500000 Sn\n0.496221 0.503779 0.750000 Sn\n0.503779 0.496221 0.250000 Sn\n0.996221 0.996221 0.000000 Sn\n0.743306 0.857917 0.328532 F\n0.256694 0.142083 0.828532 F\n0.857917 0.743306 0.671468 F\n0.357917 0.756694 0.078532 F\n0.142083 0.256694 0.171468 F\n0.243306 0.642083 0.421468 F\n0.756694 0.357917 0.921468 F\n0.642083 0.243306 0.578532 F\n",
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"elements": [
"Sn",
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],
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"density_atomic": 0.0516599215483122,
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"formula_full": "Sn4 F8",
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"updated_at": "2021-11-28T01:35:07.930000Z",
"spacegroup": 92
},
{
"id": "mp-1182791",
"created_at": "2022-09-04T14:40:43.614522Z",
"structure_string": "Ca8 Mg8 Fe8 P16 O104\n1.0\n16.091542 0.000000 0.000000\n0.000000 18.836979 0.000000\n0.000000 0.000000 6.997921\nCa Mg Fe P O\n8 8 8 16 104\ndirect\n0.510023 0.251628 0.277347 Ca\n0.010023 0.248372 0.722653 Ca\n0.489977 0.751628 0.222653 Ca\n0.989977 0.748372 0.777347 Ca\n0.489977 0.748372 0.722653 Ca\n0.989977 0.751628 0.277347 Ca\n0.510023 0.248372 0.777347 Ca\n0.010023 0.251628 0.222653 Ca\n0.650080 0.505654 0.756177 Mg\n0.150080 0.994346 0.243823 Mg\n0.349920 0.005654 0.743823 Mg\n0.849920 0.494346 0.256177 Mg\n0.349920 0.494346 0.243823 Mg\n0.849920 0.005654 0.756177 Mg\n0.650080 0.994346 0.256177 Mg\n0.150080 0.505654 0.743823 Mg\n0.761920 0.250510 0.246863 Fe\n0.261920 0.249490 0.753137 Fe\n0.238080 0.750510 0.253137 Fe\n0.738080 0.749490 0.746863 Fe\n0.238080 0.749490 0.753137 Fe\n0.738080 0.750510 0.246863 Fe\n0.761920 0.249490 0.746863 Fe\n0.261920 0.250510 0.253137 Fe\n0.887304 0.348956 0.011373 P\n0.387304 0.151044 0.988627 P\n0.112696 0.848956 0.488627 P\n0.612696 0.651044 0.511373 P\n0.112696 0.651044 0.988627 P\n0.612696 0.848956 0.011373 P\n0.887304 0.151044 0.511373 P\n0.387304 0.348956 0.488627 P\n0.635420 0.346535 0.976510 P\n0.135420 0.153465 0.023490 P\n0.364580 0.846535 0.523490 P\n0.864580 0.653465 0.476510 P\n0.364580 0.653465 0.023490 P\n0.864580 0.846535 0.976510 P\n0.635420 0.153465 0.476510 P\n0.135420 0.346535 0.523490 P\n0.828225 0.333871 0.842214 O\n0.328225 0.166129 0.157786 O\n0.171775 0.833871 0.657786 O\n0.671775 0.666129 0.342214 O\n0.171775 0.666129 0.157786 O\n0.671775 0.833871 0.842214 O\n0.828225 0.166129 0.342214 O\n0.328225 0.333871 0.657786 O\n0.868882 0.300631 0.190315 O\n0.368882 0.199369 0.809685 O\n0.131118 0.800631 0.309685 O\n0.631118 0.699369 0.690315 O\n0.131118 0.699369 0.809685 O\n0.631118 0.800631 0.190315 O\n0.868882 0.199369 0.690315 O\n0.368882 0.300631 0.309685 O\n0.978416 0.329245 0.960888 O\n0.478416 0.170755 0.039112 O\n0.021584 0.829245 0.539112 O\n0.521584 0.670755 0.460888 O\n0.021584 0.670755 0.039112 O\n0.521584 0.829245 0.960888 O\n0.978416 0.170755 0.460888 O\n0.478416 0.329245 0.539112 O\n0.879968 0.427603 0.070068 O\n0.379968 0.072397 0.929932 O\n0.120032 0.927603 0.429932 O\n0.620032 0.572397 0.570068 O\n0.120032 0.572397 0.929932 O\n0.620032 0.927603 0.070068 O\n0.879968 0.072397 0.570068 O\n0.379968 0.427603 0.429932 O\n0.652456 0.295054 0.804295 O\n0.152456 0.204946 0.195705 O\n0.347544 0.795054 0.695705 O\n0.847544 0.704946 0.304295 O\n0.347544 0.704946 0.195705 O\n0.847544 0.795054 0.804295 O\n0.652456 0.204946 0.304295 O\n0.152456 0.295054 0.695705 O\n0.695008 0.334662 0.146185 O\n0.195008 0.165338 0.853815 O\n0.304992 0.834662 0.353815 O\n0.804992 0.665338 0.646185 O\n0.304992 0.665338 0.853815 O\n0.804992 0.834662 0.146185 O\n0.695008 0.165338 0.646185 O\n0.195008 0.334662 0.353815 O\n0.544403 0.328372 0.032389 O\n0.044403 0.171628 0.967611 O\n0.455597 0.828372 0.467611 O\n0.955597 0.671628 0.532389 O\n0.455597 0.671628 0.967611 O\n0.955597 0.828372 0.032389 O\n0.544403 0.171628 0.532389 O\n0.044403 0.328372 0.467611 O\n0.643262 0.423760 0.906566 O\n0.143262 0.076240 0.093434 O\n0.356738 0.923760 0.593434 O\n0.856738 0.576240 0.406566 O\n0.356738 0.576240 0.093434 O\n0.856738 0.923760 0.906566 O\n0.643262 0.076240 0.406566 O\n0.143262 0.423760 0.593434 O\n0.762801 0.288498 0.497077 O\n0.262801 0.211502 0.502923 O\n0.237199 0.788498 0.002923 O\n0.737199 0.711502 0.997077 O\n0.237199 0.711502 0.502923 O\n0.737199 0.788498 0.497077 O\n0.762801 0.211502 0.997077 O\n0.262801 0.288498 0.002923 O\n0.782982 0.536360 0.835085 O\n0.282982 0.963640 0.164915 O\n0.217018 0.036360 0.664915 O\n0.717018 0.463640 0.335085 O\n0.217018 0.463640 0.164915 O\n0.717018 0.036360 0.835085 O\n0.782982 0.963640 0.335085 O\n0.282982 0.536360 0.664915 O\n0.465298 0.474475 0.906054 O\n0.965298 0.025525 0.093946 O\n0.534702 0.974475 0.593946 O\n0.034702 0.525525 0.406054 O\n0.534702 0.525525 0.093946 O\n0.034702 0.974475 0.906054 O\n0.465298 0.025525 0.406054 O\n0.965298 0.474475 0.593946 O\n0.682234 0.437328 0.477106 O\n0.182234 0.062672 0.522894 O\n0.317766 0.937328 0.022894 O\n0.817766 0.562672 0.977106 O\n0.317766 0.562672 0.522894 O\n0.817766 0.937328 0.477106 O\n0.682234 0.062672 0.977106 O\n0.182234 0.437328 0.022894 O\n0.591854 0.558018 0.013132 O\n0.091854 0.941982 0.986868 O\n0.408146 0.058018 0.486868 O\n0.908146 0.441982 0.513132 O\n0.408146 0.441982 0.986868 O\n0.908146 0.058018 0.013132 O\n0.591854 0.941982 0.513132 O\n0.091854 0.558018 0.486868 O\n",
"nsites": 144,
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"elements": [
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"Mg",
"Fe",
"P",
"O"
],
"chemical_system": "Ca-Fe-Mg-O-P",
"density": 2.4435007268978874,
"density_atomic": 0.06788667530410056,
"volume": 2121.182092876803,
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"formula_full": "Ca8 Mg8 Fe8 P16 O104",
"formula_reduced": "CaMgFeP2O13",
"formula_anonymous": "ABCD2E13",
"energy": -945.35285442,
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"updated_at": "2021-11-28T01:35:09.744000Z",
"spacegroup": 61
},
{
"id": "mp-1245903",
"created_at": "2022-09-04T14:40:43.618673Z",
"structure_string": "Mn2 Ga4 N6\n1.0\n5.635341 0.039023 0.000000\n-2.782654 4.821096 0.000000\n0.000000 0.000000 5.208175\nMn Ga N\n2 4 6\ndirect\n0.000000 0.655794 0.492299 Mn\n0.000000 0.344206 0.992299 Mn\n0.336589 0.332603 0.495056 Ga\n0.663411 0.996013 0.495056 Ga\n0.663411 0.667397 0.995056 Ga\n0.336589 0.003987 0.995056 Ga\n0.336955 0.336944 0.871997 N\n0.663045 0.999989 0.871997 N\n0.663045 0.663056 0.371997 N\n0.336955 0.000011 0.371997 N\n0.000000 0.675565 0.861595 N\n0.000000 0.324435 0.361595 N\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.526501559737181,
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"volume": 142.06394914953745,
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"formula_full": "Mn2 Ga4 N6",
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"spacegroup": 36
},
{
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"structure_string": "Zr3 P1 O2\n1.0\n1.715922 -2.972065 0.000000\n1.715922 2.972065 0.000000\n0.000000 0.000000 8.480410\nZr P O\n3 1 2\ndirect\n0.666667 0.333333 0.697967 Zr\n0.333333 0.666667 0.302033 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 P\n0.666667 0.333333 0.141424 O\n0.333333 0.666667 0.858576 O\n",
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{
"id": "mp-759581",
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"structure_string": "Co6 O1 F11\n1.0\n4.750711 0.000000 0.000000\n0.046894 5.705502 0.000000\n0.054639 0.448297 7.883971\nCo O F\n6 1 11\ndirect\n0.519237 0.488091 0.993789 Co\n0.504496 0.828932 0.664361 Co\n0.497093 0.168367 0.334955 Co\n0.004511 0.665089 0.329729 Co\n0.987990 0.327030 0.685119 Co\n0.990096 0.018939 0.990851 Co\n0.791996 0.303870 0.903169 O\n0.805420 0.627951 0.566499 F\n0.803427 0.968147 0.229687 F\n0.691511 0.468929 0.235677 F\n0.699781 0.799253 0.897042 F\n0.702265 0.127979 0.565133 F\n0.303692 0.867091 0.432944 F\n0.301646 0.534420 0.766926 F\n0.298407 0.204081 0.102902 F\n0.206102 0.029799 0.764601 F\n0.201020 0.705728 0.093935 F\n0.191310 0.366308 0.442682 F\n",
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"formula_full": "Co6 O1 F11",
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{
"id": "mp-1219239",
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"structure_string": "Sm2 Fe15 Si2\n1.0\n-4.248623 2.452944 4.150637\n0.000028 -4.878207 4.134165\n4.224665 2.439080 4.134165\nSm Fe Si\n2 15 2\ndirect\n0.662175 0.661043 0.661043 Sm\n0.342618 0.343130 0.343130 Sm\n0.002367 0.495974 0.002195 Fe\n0.496652 0.001876 0.001876 Fe\n0.002367 0.002195 0.495974 Fe\n0.903749 0.903998 0.903998 Fe\n0.096423 0.093134 0.093134 Fe\n0.704766 0.000052 0.295218 Fe\n0.000665 0.293695 0.704156 Fe\n0.293421 0.703462 0.998323 Fe\n0.000665 0.704156 0.293695 Fe\n0.704766 0.295218 0.000052 Fe\n0.293421 0.998323 0.703462 Fe\n0.842983 0.340845 0.340845 Fe\n0.659127 0.661109 0.158744 Fe\n0.659127 0.158744 0.661109 Fe\n0.155839 0.659075 0.659075 Fe\n0.339435 0.338474 0.845497 Si\n0.339435 0.845497 0.338474 Si\n",
"nsites": 19,
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"formula_full": "Sm2 Fe15 Si2",
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{
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"created_at": "2022-09-04T14:40:43.643107Z",
"structure_string": "Tm6 Ni14 B4\n1.0\n2.514135 -4.354610 0.000000\n2.514135 4.354610 0.000000\n0.000000 0.000000 14.234629\nTm Ni B\n6 14 4\ndirect\n0.333333 0.666667 0.532418 Tm\n0.666667 0.333333 0.032418 Tm\n0.666667 0.333333 0.467582 Tm\n0.333333 0.666667 0.967582 Tm\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.165816 0.331632 0.148099 Ni\n0.834184 0.668368 0.648099 Ni\n0.668368 0.834184 0.148099 Ni\n0.165816 0.834184 0.148099 Ni\n0.834184 0.165816 0.648099 Ni\n0.331632 0.165816 0.648099 Ni\n0.834184 0.668368 0.851901 Ni\n0.834184 0.165816 0.851901 Ni\n0.331632 0.165816 0.851901 Ni\n0.668368 0.834184 0.351901 Ni\n0.165816 0.834184 0.351901 Ni\n0.165816 0.331632 0.351901 Ni\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.000000 0.000000 0.250000 B\n0.000000 0.000000 0.750000 B\n",
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{
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