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{
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"results": [
{
"id": "mp-1210318",
"created_at": "2022-09-04T14:39:42.098855Z",
"structure_string": "Na4 C4 S4 Cl12 O16\n1.0\n5.913990 0.000000 0.000000\n0.000000 10.724355 0.000000\n0.000000 3.190847 12.528975\nNa C S Cl O\n4 4 4 12 16\ndirect\n0.454764 0.781411 0.109073 Na\n0.545236 0.218589 0.890927 Na\n0.954764 0.718589 0.890927 Na\n0.045236 0.281411 0.109073 Na\n0.921711 0.943543 0.320502 C\n0.078289 0.056457 0.679498 C\n0.421711 0.556457 0.679498 C\n0.578289 0.443543 0.320502 C\n0.955663 0.945237 0.173828 S\n0.044337 0.054763 0.826172 S\n0.455663 0.554763 0.826172 S\n0.544337 0.445237 0.173828 S\n0.527559 0.702435 0.599985 Cl\n0.472441 0.297565 0.400015 Cl\n0.027559 0.797565 0.400015 Cl\n0.972441 0.202435 0.599985 Cl\n0.632622 0.961090 0.346576 Cl\n0.367378 0.038910 0.653424 Cl\n0.132622 0.538910 0.653424 Cl\n0.867378 0.461090 0.346576 Cl\n0.921034 0.924819 0.655696 Cl\n0.078966 0.075181 0.344304 Cl\n0.421034 0.575181 0.344304 Cl\n0.578966 0.424819 0.655696 Cl\n0.197194 0.920233 0.161875 O\n0.802806 0.079767 0.838125 O\n0.697194 0.579767 0.838125 O\n0.302806 0.420233 0.161875 O\n0.616332 0.574342 0.117349 O\n0.383668 0.425658 0.882651 O\n0.116332 0.925658 0.882651 O\n0.883668 0.074342 0.117349 O\n0.106931 0.663941 0.076836 O\n0.893069 0.336059 0.923164 O\n0.606931 0.836059 0.923164 O\n0.393069 0.163941 0.076836 O\n0.808400 0.841652 0.158609 O\n0.191600 0.158348 0.841391 O\n0.308400 0.658348 0.841391 O\n0.691600 0.341652 0.158609 O\n",
"nsites": 40,
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"elements": [
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"C",
"S",
"Cl",
"O"
],
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"density": 1.9845537433012443,
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"volume_molar": 11.96349909894643,
"formula_full": "Na4 C4 S4 Cl12 O16",
"formula_reduced": "NaCSCl3O4",
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"energy": -200.07980733,
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"spacegroup": 14
},
{
"id": "mp-1183898",
"created_at": "2022-09-04T14:39:42.116668Z",
"structure_string": "Eu2 Cu1 Ir1\n1.0\n0.000000 3.538470 3.538470\n3.538470 0.000000 3.538470\n3.538470 3.538470 0.000000\nEu Cu Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.488680864091274,
"density_atomic": 0.04514227498537895,
"volume": 88.60873762555283,
"volume_molar": 13.340357263674683,
"formula_full": "Eu2 Cu1 Ir1",
"formula_reduced": "Eu2CuIr",
"formula_anonymous": "ABC2",
"energy": -34.39936609,
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"updated_at": "2021-11-28T01:34:24.386000Z",
"spacegroup": 225
},
{
"id": "mp-1245711",
"created_at": "2022-09-04T14:39:42.129219Z",
"structure_string": "Cr16 C4 N16\n1.0\n9.382255 0.000000 0.000000\n0.000000 2.717946 0.000000\n0.000000 0.000000 12.350927\nCr C N\n16 4 16\ndirect\n0.080454 0.250000 0.179376 Cr\n0.580454 0.250000 0.320624 Cr\n0.919546 0.750000 0.820624 Cr\n0.419546 0.750000 0.679376 Cr\n0.813965 0.250000 0.072417 Cr\n0.313965 0.250000 0.427583 Cr\n0.186035 0.750000 0.927583 Cr\n0.686035 0.750000 0.572417 Cr\n0.404423 0.250000 0.863007 Cr\n0.904423 0.250000 0.636993 Cr\n0.595577 0.750000 0.136993 Cr\n0.095577 0.750000 0.363007 Cr\n0.129553 0.250000 0.731262 Cr\n0.629553 0.250000 0.768738 Cr\n0.870447 0.750000 0.268738 Cr\n0.370447 0.750000 0.231262 Cr\n0.340746 0.250000 0.022217 C\n0.840746 0.250000 0.477783 C\n0.659254 0.750000 0.977783 C\n0.159254 0.750000 0.522217 C\n0.725636 0.250000 0.216395 N\n0.225636 0.250000 0.283605 N\n0.274364 0.750000 0.783605 N\n0.774364 0.750000 0.716395 N\n0.046536 0.250000 0.871949 N\n0.546536 0.250000 0.628051 N\n0.953464 0.750000 0.128051 N\n0.453464 0.750000 0.371949 N\n0.197206 0.250000 0.043043 N\n0.697206 0.250000 0.456957 N\n0.802794 0.750000 0.956957 N\n0.302794 0.750000 0.543043 N\n0.432908 0.250000 0.111319 N\n0.932908 0.250000 0.388681 N\n0.567092 0.750000 0.888681 N\n0.067092 0.750000 0.611319 N\n",
"nsites": 36,
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"elements": [
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"C",
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],
"chemical_system": "C-Cr-N",
"density": 5.821099444386312,
"density_atomic": 0.11430227898492815,
"volume": 314.95435016433004,
"volume_molar": 5.2686095268442354,
"formula_full": "Cr16 C4 N16",
"formula_reduced": "Cr4CN4",
"formula_anonymous": "AB4C4",
"energy": -335.63862255000004,
"energy_per_atom": -9.323295070833334,
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"spacegroup": 62
},
{
"id": "mp-1245069",
"created_at": "2022-09-04T14:39:42.134436Z",
"structure_string": "Ga50 N50\n1.0\n12.381196 0.714554 0.119887\n0.702295 11.082496 -0.168241\n0.102247 -0.137489 12.274337\nGa N\n50 50\ndirect\n0.713223 0.690762 0.588805 Ga\n0.259631 0.341974 0.301859 Ga\n0.833110 0.390536 0.846199 Ga\n0.846838 0.562331 0.388402 Ga\n0.512766 0.319423 0.157972 Ga\n0.445864 0.693179 0.591257 Ga\n0.704191 0.941905 0.848891 Ga\n0.205609 0.625575 0.547983 Ga\n0.782561 0.386974 0.138906 Ga\n0.924506 0.554586 0.942318 Ga\n0.888463 0.844834 0.889877 Ga\n0.071566 0.902815 0.048897 Ga\n0.562370 0.534898 0.778295 Ga\n0.617895 0.333753 0.939555 Ga\n0.062410 0.246760 0.601531 Ga\n0.446313 0.699093 0.036790 Ga\n0.792656 0.063041 0.321055 Ga\n0.666416 0.558908 0.008804 Ga\n0.928242 0.557276 0.172400 Ga\n0.979922 0.139753 0.868202 Ga\n0.003488 0.006746 0.232706 Ga\n0.335381 0.498077 0.085779 Ga\n0.972650 0.287745 0.298638 Ga\n0.438906 0.628592 0.242711 Ga\n0.292392 0.625930 0.798406 Ga\n0.391186 0.113235 0.318329 Ga\n0.179264 0.129138 0.186845 Ga\n0.252855 0.580136 0.341362 Ga\n0.906958 0.693451 0.678961 Ga\n0.705485 0.155625 0.833091 Ga\n0.148891 0.413021 0.022275 Ga\n0.592511 0.700333 0.355384 Ga\n0.270258 0.791716 0.959185 Ga\n0.098814 0.592049 0.781483 Ga\n0.561619 0.938142 0.302316 Ga\n0.149953 0.116048 0.985608 Ga\n0.681834 0.902571 0.501656 Ga\n0.645163 0.836169 0.090632 Ga\n0.374341 0.779080 0.413879 Ga\n0.032111 0.757060 0.318415 Ga\n0.823149 0.047130 0.058034 Ga\n0.816485 0.806749 0.184982 Ga\n0.201580 0.174501 0.453113 Ga\n0.074863 0.370441 0.827584 Ga\n0.385053 0.875517 0.194009 Ga\n0.139462 0.673911 0.096743 Ga\n0.004923 0.062430 0.469593 Ga\n0.216330 0.944337 0.388121 Ga\n0.005635 0.480663 0.527986 Ga\n0.598958 0.778816 0.823833 Ga\n0.522114 0.423171 0.413159 N\n0.860296 0.414225 0.665226 N\n0.725179 0.210269 0.568371 N\n0.050908 0.226190 0.752487 N\n0.056031 0.614344 0.623969 N\n0.953082 0.684206 0.836028 N\n0.036773 0.551938 0.056775 N\n0.578161 0.673293 0.688943 N\n0.416767 0.011438 0.594446 N\n0.441903 0.527750 0.964946 N\n0.874620 0.431832 0.266365 N\n0.593125 0.721685 0.981053 N\n0.298382 0.215428 0.724048 N\n0.678352 0.994006 0.017223 N\n0.416790 0.025191 0.839835 N\n0.307094 0.306477 0.761022 N\n0.592562 0.081598 0.061407 N\n0.909157 0.900566 0.659321 N\n0.128921 0.247735 0.309956 N\n0.813485 0.539180 0.060609 N\n0.339641 0.203927 0.979936 N\n0.416563 0.244905 0.997281 N\n0.534852 0.368774 0.662989 N\n0.897773 0.694355 0.279583 N\n0.207575 0.913522 0.700690 N\n0.143675 0.653740 0.252230 N\n0.705257 0.626657 0.441975 N\n0.674703 0.007667 0.385740 N\n0.121609 0.951645 0.687270 N\n0.950838 0.196918 0.155176 N\n0.877627 0.961777 0.590152 N\n0.947786 0.981300 0.958198 N\n0.498054 0.044165 0.602627 N\n0.917036 0.141828 0.354489 N\n0.282333 0.005612 0.249608 N\n0.057674 0.914678 0.370489 N\n0.423025 0.538450 0.856892 N\n0.864785 0.215825 0.105796 N\n0.795449 0.475002 0.618775 N\n0.833650 0.221566 0.864094 N\n0.855431 0.969762 0.197808 N\n0.561167 0.352152 0.353679 N\n0.740190 0.267611 0.497809 N\n0.197970 0.946839 0.970539 N\n0.632861 0.404190 0.089316 N\n0.322230 0.630224 0.645851 N\n0.437228 0.925078 0.849710 N\n0.622802 0.157958 0.125702 N\n0.480656 0.319943 0.610342 N\n0.678558 0.469508 0.864851 N\n",
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"elements": [
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"N"
],
"chemical_system": "Ga-N",
"density": 4.143879506337119,
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"volume": 1677.6119777623057,
"volume_molar": 10.102815470746597,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
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"updated_at": "2021-11-28T01:34:30.598000Z",
"spacegroup": 1
},
{
"id": "mp-1025087",
"created_at": "2022-09-04T14:39:42.146946Z",
"structure_string": "Nd2 Ni2 Sb2\n1.0\n2.189106 -3.791644 0.000000\n2.189106 3.791644 0.000000\n0.000000 0.000000 8.211873\nNd Ni Sb\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
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"volume": 136.32219351255586,
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"formula_full": "Nd2 Ni2 Sb2",
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{
"id": "mp-862767",
"created_at": "2022-09-04T14:39:42.307180Z",
"structure_string": "Tb1 Mg1 Cd2\n1.0\n0.000000 3.616049 3.616049\n3.616049 0.000000 3.616049\n3.616049 3.616049 0.000000\nTb Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
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],
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},
{
"id": "mp-21132",
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"structure_string": "U1 Ge2 Rh2\n1.0\n-2.052745 2.052745 5.239893\n2.052745 -2.052745 5.239893\n2.052745 2.052745 -5.239893\nU Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.382196 0.382196 0.000000 Ge\n0.617804 0.617804 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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"formula_full": "U1 Ge2 Rh2",
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"energy": -37.69018445,
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"updated_at": "2021-11-28T01:34:40.746000Z",
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{
"id": "mp-768451",
"created_at": "2022-09-04T14:39:42.113451Z",
"structure_string": "Cu4 S6 O24\n1.0\n7.814883 -4.092927 0.000000\n7.814883 4.092927 0.000000\n5.671275 0.000000 6.757299\nCu S O\n4 6 24\ndirect\n0.145948 0.145948 0.145948 Cu\n0.346311 0.346311 0.346311 Cu\n0.653689 0.653689 0.653689 Cu\n0.854052 0.854052 0.854052 Cu\n0.748733 0.039889 0.458167 S\n0.960111 0.541833 0.251267 S\n0.541833 0.251267 0.960111 S\n0.458167 0.748733 0.039889 S\n0.039889 0.458167 0.748733 S\n0.251267 0.960111 0.541833 S\n0.533163 0.207531 0.155141 O\n0.207531 0.155141 0.533163 O\n0.797148 0.017909 0.606264 O\n0.874865 0.134261 0.256733 O\n0.155141 0.533163 0.207531 O\n0.743267 0.125135 0.865739 O\n0.982091 0.393736 0.202852 O\n0.537353 0.169935 0.492889 O\n0.830065 0.507111 0.462647 O\n0.393736 0.202852 0.982091 O\n0.865739 0.743267 0.125135 O\n0.507111 0.462647 0.830065 O\n0.492889 0.537353 0.169935 O\n0.134261 0.256733 0.874865 O\n0.606264 0.797148 0.017909 O\n0.169935 0.492889 0.537353 O\n0.462647 0.830065 0.507111 O\n0.017909 0.606264 0.797148 O\n0.256733 0.874865 0.134261 O\n0.844859 0.466837 0.792469 O\n0.125135 0.865739 0.743267 O\n0.202852 0.982091 0.393736 O\n0.792469 0.844859 0.466837 O\n0.466837 0.792469 0.844859 O\n",
"nsites": 34,
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],
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"volume_molar": 7.656523086908949,
"formula_full": "Cu4 S6 O24",
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"spacegroup": 148
},
{
"id": "mp-610687",
"created_at": "2022-09-04T14:39:42.142694Z",
"structure_string": "Ce4 Sn4 Ru4\n1.0\n2.421242 5.830289 0.000000\n-2.421242 5.830289 0.000000\n0.000000 2.242869 9.759174\nCe Sn Ru\n4 4 4\ndirect\n0.131034 0.131034 0.588822 Ce\n0.868966 0.868966 0.411178 Ce\n0.863847 0.863847 0.912206 Ce\n0.136153 0.136153 0.087794 Ce\n0.417992 0.417992 0.153217 Sn\n0.410308 0.410308 0.651153 Sn\n0.582008 0.582008 0.846783 Sn\n0.589692 0.589692 0.348847 Sn\n0.815042 0.815042 0.163387 Ru\n0.190490 0.190490 0.329462 Ru\n0.184958 0.184958 0.836613 Ru\n0.809510 0.809510 0.670538 Ru\n",
"nsites": 12,
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"elements": [
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"Sn",
"Ru"
],
"chemical_system": "Ce-Ru-Sn",
"density": 8.675904645379916,
"density_atomic": 0.04355218091854705,
"volume": 275.53155196620025,
"volume_molar": 13.82741491468094,
"formula_full": "Ce4 Sn4 Ru4",
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