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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=11475",
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"results": [
{
"id": "mp-1173251",
"created_at": "2022-09-04T14:45:18.821450Z",
"structure_string": "Sr8 Rh4 O16\n1.0\n5.388844 -0.054074 -1.338329\n-0.284459 5.381603 -1.338329\n0.663912 0.692936 13.469625\nSr Rh O\n8 4 16\ndirect\n0.832039 0.834521 0.647525 Sr\n0.084521 0.582039 0.147525 Sr\n0.169195 0.167709 0.352241 Sr\n0.417709 0.919195 0.852241 Sr\n0.332291 0.330805 0.647759 Sr\n0.580805 0.082291 0.147759 Sr\n0.665479 0.667961 0.352475 Sr\n0.917961 0.415479 0.852475 Sr\n0.999899 0.999231 0.999983 Rh\n0.249231 0.749899 0.499983 Rh\n0.500769 0.500101 0.000017 Rh\n0.750101 0.250769 0.500017 Rh\n0.053312 0.446688 0.500000 O\n0.915907 0.934055 0.839947 O\n0.081069 0.062270 0.160002 O\n0.184055 0.665907 0.339947 O\n0.312270 0.831069 0.660002 O\n0.193373 0.693660 0.989437 O\n0.301501 0.198499 0.000000 O\n0.448499 0.051501 0.500000 O\n0.556627 0.556340 0.510563 O\n0.437730 0.418931 0.839998 O\n0.565945 0.584093 0.160053 O\n0.668931 0.187730 0.339998 O\n0.834093 0.315945 0.660053 O\n0.696688 0.803312 0.000000 O\n0.806340 0.306627 0.010563 O\n0.943660 0.943373 0.489437 O\n",
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"elements": [
"Sr",
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],
"chemical_system": "O-Rh-Sr",
"density": 5.674166278696486,
"density_atomic": 0.06991062986930026,
"volume": 400.51133929628054,
"volume_molar": 8.614055932922575,
"formula_full": "Sr8 Rh4 O16",
"formula_reduced": "Sr2RhO4",
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"energy": -188.25939697,
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"updated_at": "2021-11-28T01:37:06.956000Z",
"spacegroup": 15
},
{
"id": "mp-766173",
"created_at": "2022-09-04T14:47:33.471184Z",
"structure_string": "Sr4 Rh8 O16\n1.0\n5.443796 0.000000 0.000000\n0.000000 6.281211 0.000000\n0.000000 0.000000 11.371437\nSr Rh O\n4 8 16\ndirect\n0.141541 0.000000 0.500000 Sr\n0.465603 0.000000 0.000000 Sr\n0.534397 0.500000 0.500000 Sr\n0.858459 0.500000 0.000000 Sr\n0.502134 0.000000 0.743927 Rh\n0.502134 0.000000 0.256073 Rh\n0.000000 0.750000 0.750000 Rh\n0.000000 0.750000 0.250000 Rh\n0.497866 0.500000 0.756073 Rh\n0.497866 0.500000 0.243927 Rh\n0.000000 0.250000 0.250000 Rh\n0.000000 0.250000 0.750000 Rh\n0.171274 0.000000 0.164168 O\n0.836614 0.000000 0.657908 O\n0.836614 0.000000 0.342092 O\n0.171274 0.000000 0.835832 O\n0.666011 0.753847 0.156037 O\n0.333989 0.746153 0.343963 O\n0.333989 0.746153 0.656037 O\n0.666011 0.753847 0.843963 O\n0.163386 0.500000 0.157908 O\n0.163386 0.500000 0.842092 O\n0.828726 0.500000 0.335832 O\n0.828726 0.500000 0.664168 O\n0.666011 0.246153 0.156037 O\n0.333989 0.253847 0.343963 O\n0.333989 0.253847 0.656037 O\n0.666011 0.246153 0.843963 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr",
"density": 6.105733078115968,
"density_atomic": 0.07201077036498045,
"volume": 388.8307243219922,
"volume_molar": 8.36283340599926,
"formula_full": "Sr4 Rh8 O16",
"formula_reduced": "Sr(RhO2)2",
"formula_anonymous": "AB2C4",
"energy": -193.88931329,
"energy_per_atom": -6.924618331785714,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -182.89731329,
"band_gap": 1.3203999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.329000Z",
"spacegroup": 59
},
{
"id": "mp-1173258",
"created_at": "2022-09-04T14:41:21.065692Z",
"structure_string": "Sr16 Rh8 O32\n1.0\n5.402986 -0.023716 -1.265524\n-0.264300 5.404782 -1.238588\n0.750151 0.627565 27.155327\nSr Rh O\n16 8 32\ndirect\n0.078055 0.581787 0.573952 Sr\n0.173988 0.180353 0.676711 Sr\n0.331238 0.328409 0.824303 Sr\n0.063281 0.578626 0.073352 Sr\n0.438860 0.934382 0.926267 Sr\n0.172613 0.181103 0.175673 Sr\n0.323609 0.322610 0.323524 Sr\n0.426469 0.927837 0.426158 Sr\n0.574542 0.072431 0.574033 Sr\n0.670521 0.671171 0.676850 Sr\n0.834624 0.836773 0.824185 Sr\n0.568939 0.079947 0.073819 Sr\n0.927099 0.437605 0.925843 Sr\n0.664598 0.675211 0.175735 Sr\n0.828907 0.829053 0.323482 Sr\n0.918910 0.423301 0.426103 Sr\n0.000966 0.001153 0.499977 Rh\n0.252582 0.753281 0.750632 Rh\n0.001729 0.005022 0.999691 Rh\n0.247483 0.751293 0.249500 Rh\n0.500427 0.500309 0.500096 Rh\n0.752574 0.253387 0.750599 Rh\n0.498192 0.504986 0.999803 Rh\n0.748394 0.251650 0.249590 Rh\n0.056440 0.451956 0.752034 O\n0.084829 0.070623 0.580156 O\n0.178767 0.659172 0.670576 O\n0.051057 0.449959 0.250331 O\n0.325282 0.846681 0.830507 O\n0.195622 0.695462 0.497075 O\n0.421026 0.435003 0.919906 O\n0.082553 0.089130 0.079536 O\n0.304518 0.198621 0.500486 O\n0.173395 0.665862 0.169458 O\n0.448337 0.054505 0.749235 O\n0.320925 0.838509 0.329730 O\n0.302525 0.199324 0.998378 O\n0.558098 0.559504 0.754524 O\n0.429140 0.415694 0.420039 O\n0.195140 0.701645 0.000571 O\n0.575054 0.591272 0.580239 O\n0.444696 0.053332 0.248785 O\n0.669788 0.184719 0.670514 O\n0.551934 0.556363 0.252415 O\n0.834885 0.323217 0.830447 O\n0.697987 0.803628 0.499730 O\n0.913814 0.920464 0.919857 O\n0.580052 0.584668 0.079851 O\n0.806394 0.306287 0.502965 O\n0.663366 0.181167 0.169628 O\n0.946515 0.947314 0.746846 O\n0.834025 0.322636 0.329725 O\n0.699128 0.810237 0.001613 O\n0.912840 0.927855 0.419885 O\n0.800842 0.306490 0.998360 O\n0.942424 0.946622 0.246723 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Sr",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr",
"density": 5.664559302938939,
"density_atomic": 0.06979226362951085,
"volume": 802.3811965359589,
"volume_molar": 8.628665194137087,
"formula_full": "Sr16 Rh8 O32",
"formula_reduced": "Sr2RhO4",
"formula_anonymous": "AB2C4",
"energy": -376.57116999,
"energy_per_atom": -6.7244851783928565,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -354.58716999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9125448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.056000Z",
"spacegroup": 1
},
{
"id": "mp-765543",
"created_at": "2022-09-04T14:40:58.417749Z",
"structure_string": "Sr3 Rh16 O32\n1.0\n8.201239 0.000000 0.000000\n1.924319 8.539117 0.000000\n2.987047 3.293837 8.810513\nSr Rh O\n3 16 32\ndirect\n0.984138 0.983684 0.015924 Sr\n0.672126 0.672283 0.327476 Sr\n0.304631 0.304308 0.696017 Sr\n0.943971 0.219943 0.246138 Rh\n0.879620 0.199849 0.620563 Rh\n0.370546 0.050418 0.129258 Rh\n0.806405 0.530548 0.005005 Rh\n0.555391 0.280810 0.255462 Rh\n0.305528 0.029549 0.504512 Rh\n0.621868 0.299319 0.880961 Rh\n0.870208 0.548178 0.632431 Rh\n0.130097 0.450913 0.368727 Rh\n0.377512 0.700835 0.118844 Rh\n0.192624 0.470155 0.995999 Rh\n0.694382 0.969629 0.495279 Rh\n0.444412 0.718147 0.744802 Rh\n0.628142 0.949142 0.871055 Rh\n0.119529 0.798797 0.380697 Rh\n0.056085 0.779858 0.754197 Rh\n0.869418 0.110452 0.470946 O\n0.756599 0.086813 0.261160 O\n0.632568 0.050624 0.024529 O\n0.882560 0.299098 0.775814 O\n0.620357 0.195545 0.728471 O\n0.872224 0.445899 0.477769 O\n0.493460 0.162321 0.488862 O\n0.745430 0.414172 0.237769 O\n0.381083 0.139384 0.279474 O\n0.632378 0.388257 0.030620 O\n0.113264 0.027697 0.212334 O\n0.994353 0.666415 0.987963 O\n0.880191 0.638715 0.780715 O\n0.363783 0.278897 0.960616 O\n0.861872 0.775919 0.461926 O\n0.615145 0.526948 0.714751 O\n0.137247 0.222632 0.538195 O\n0.635306 0.721281 0.041104 O\n0.385121 0.472845 0.284982 O\n0.119199 0.361228 0.220294 O\n0.004785 0.335738 0.012922 O\n0.885829 0.971609 0.788380 O\n0.618176 0.860423 0.720448 O\n0.367970 0.611768 0.969205 O\n0.253642 0.584495 0.763440 O\n0.505757 0.836725 0.511493 O\n0.128449 0.551821 0.523831 O\n0.377385 0.804244 0.272206 O\n0.116349 0.700489 0.224467 O\n0.366983 0.949255 0.975997 O\n0.244723 0.912103 0.737635 O\n0.129876 0.888520 0.529639 O\n",
"nsites": 51,
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"elements": [
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],
"chemical_system": "O-Rh-Sr",
"density": 6.516422527869005,
"density_atomic": 0.08265641164178969,
"volume": 617.0120258912287,
"volume_molar": 7.285751510842634,
"formula_full": "Sr3 Rh16 O32",
"formula_reduced": "Sr3(RhO2)16",
"formula_anonymous": "A3B16C32",
"energy": -356.34438412,
"energy_per_atom": -6.987144786666666,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -334.36038412,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.522000Z",
"spacegroup": 1
},
{
"id": "mp-1208626",
"created_at": "2022-09-04T14:42:59.263046Z",
"structure_string": "Sr4 Rh4 O12\n1.0\n5.579778 0.000000 0.000000\n0.000000 5.668644 0.000000\n0.000000 0.000000 7.967728\nSr Rh O\n4 4 12\ndirect\n0.008310 0.455342 0.250000 Sr\n0.991690 0.544658 0.750000 Sr\n0.508310 0.044658 0.750000 Sr\n0.491690 0.955342 0.250000 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.296629 0.204843 0.037604 O\n0.703371 0.795157 0.962396 O\n0.796629 0.295157 0.962396 O\n0.703371 0.795157 0.537604 O\n0.203371 0.704843 0.037604 O\n0.296629 0.204843 0.462396 O\n0.203371 0.704843 0.462396 O\n0.796629 0.295157 0.537604 O\n0.573145 0.513196 0.250000 O\n0.426855 0.486804 0.750000 O\n0.073145 0.986804 0.750000 O\n0.926855 0.013196 0.250000 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "O-Rh-Sr",
"density": 6.286515965149577,
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"volume": 252.01744454684092,
"volume_molar": 7.588422625182853,
"formula_full": "Sr4 Rh4 O12",
"formula_reduced": "SrRhO3",
"formula_anonymous": "ABC3",
"energy": -135.917143,
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"updated_at": "2021-11-28T01:36:03.092000Z",
"spacegroup": 62
},
{
"id": "mp-757102",
"created_at": "2022-09-04T14:39:57.889048Z",
"structure_string": "Sr8 Rh4 O16\n1.0\n-2.747291 2.747291 13.155191\n2.747291 -2.747291 13.155191\n2.747291 2.747291 -13.155191\nSr Rh O\n8 4 16\ndirect\n0.824791 0.824791 0.000000 Sr\n0.675209 0.675209 0.000000 Sr\n0.425209 0.925209 0.500000 Sr\n0.574791 0.074791 0.500000 Sr\n0.175209 0.175209 0.000000 Sr\n0.324791 0.324791 0.000000 Sr\n0.925209 0.425209 0.500000 Sr\n0.074791 0.574791 0.500000 Sr\n0.000000 0.000000 0.000000 Rh\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.443455 0.443455 0.386910 O\n0.943455 0.556545 0.000000 O\n0.919958 0.919958 0.000000 O\n0.080042 0.080042 0.000000 O\n0.169958 0.669958 0.500000 O\n0.330042 0.830042 0.500000 O\n0.556545 0.943455 0.000000 O\n0.693455 0.193455 0.886910 O\n0.193455 0.306545 0.500000 O\n0.056545 0.056545 0.613090 O\n0.830042 0.330042 0.500000 O\n0.419958 0.419958 0.000000 O\n0.580042 0.580042 0.000000 O\n0.669958 0.169958 0.500000 O\n0.806545 0.693455 0.500000 O\n0.306545 0.806545 0.113090 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "O-Rh-Sr",
"density": 5.722033533670364,
"density_atomic": 0.07050039579806804,
"volume": 397.1608908437831,
"volume_molar": 8.541995675100916,
"formula_full": "Sr8 Rh4 O16",
"formula_reduced": "Sr2RhO4",
"formula_anonymous": "AB2C4",
"energy": -188.39832629,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:44.503000Z",
"spacegroup": 142
},
{
"id": "mp-1210337",
"created_at": "2022-09-04T14:39:57.874715Z",
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{
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{
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{
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]
}